WorldWideScience

Sample records for atomic shells n

  1. 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.)

  2. 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.

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

    CERN Document Server

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

    2002-01-01

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

  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. 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.

  6. Static dipole polarizability of shell-confined hydrogen atom

    Science.gov (United States)

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

    2002-04-01

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

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

    Science.gov (United States)

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

    2016-04-01

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

  8. 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.).

  9. 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.

  10. Imaging the Mott Insulator Shells using Atomic Clock Shifts

    OpenAIRE

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

    2006-01-01

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

  11. 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.

  12. Scattering of low-energy neutrinos on atomic shells

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-10-28

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

  13. 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.

  14. 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.

  15. 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.

  16. 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.

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

    NARCIS (Netherlands)

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

    2016-01-01

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

  18. 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.

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

    CERN Document Server

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

    2015-01-01

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

  20. 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....

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

    Science.gov (United States)

    Dwyer, C

    2005-09-01

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

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

    DEFF Research Database (Denmark)

    Özen, C.; Zinner, Nikolaj Thomas

    2014-01-01

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

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

  4. 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.

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

    Science.gov (United States)

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

    2016-10-01

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

  6. Tandem Core-Shell Si-Ta3N5 Photoanodes for Photoelectrochemical Water Splitting.

    Science.gov (United States)

    Narkeviciute, Ieva; Chakthranont, Pongkarn; Mackus, Adriaan J M; Hahn, Christopher; Pinaud, Blaise A; Bent, Stacey F; Jaramillo, Thomas F

    2016-12-14

    Nanostructured core-shell Si-Ta3N5 photoanodes were designed and synthesized to overcome charge transport limitations of Ta3N5 for photoelectrochemical water splitting. The core-shell devices were fabricated by atomic layer deposition of amorphous Ta2O5 onto nanostructured Si and subsequent nitridation to crystalline Ta3N5. Nanostructuring with a thin shell of Ta3N5 results in a 10-fold improvement in photocurrent compared to a planar device of the same thickness. In examining thickness dependence of the Ta3N5 shell from 10 to 70 nm, superior photocurrent and absorbed-photon-to-current efficiencies are obtained from the thinner Ta3N5 shells, indicating minority carrier diffusion lengths on the order of tens of nanometers. The fabrication of a heterostructure based on a semiconducting, n-type Si core produced a tandem photoanode with a photocurrent onset shifted to lower potentials by 200 mV. CoTiOx and NiOx water oxidation cocatalysts were deposited onto the Si-Ta3N5 to yield active photoanodes that with NiOx retained 50-60% of their maximum photocurrent after 24 h chronoamperometry experiments and are thus among the most stable Ta3N5 photoanodes reported to date.

  7. 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)

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

    Science.gov (United States)

    Park, Sunghoon; Ko, Hyunsung; Kim, Soohyun; Lee, Chongmu

    2014-11-01

    GaN is highly sensitive to low concentrations of H2 in ambient air and is almost insensitive to most other common gases. However, enhancing the sensing performance and the detection limit of GaN is a challenge. This study examined the H2-gas-sensing properties of GaN nanowires encapsulated with ZnO. GaN-core/ZnO-shell nanowires were fabricated by using a two-step process comprising the thermal evaporation of GaN powders and the atomic layer deposition of ZnO. The core-shell nanowires ranged from 80 to 120 nm in diameter and from a few tens to a few hundreds of micrometers in length, with a mean shell layer thickness of ~8 nm. Multiple-networked pristine GaN nanowire and ZnO-encapsulated GaN (or GaN-core/ZnO-shell) nanowire sensors showed responses of 120-147% and 179-389%, respectively, to 500-2,500 ppm of H2 at room temperature under UV (254 nm) illumination. The underlying mechanism of the enhanced response of the GaN nanowire to H2 gas when using ZnO encapsulation and UV irradiation is discussed.

  9. 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.

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

    Science.gov (United States)

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

    2016-02-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-02-15

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

  12. 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)

  13. 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. --

  14. 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.

  15. 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.

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

    Directory of Open Access Journals (Sweden)

    Christian Obermair

    2011-11-01

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

  17. 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.

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

    Science.gov (United States)

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

    2017-03-01

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

  19. Structural Evolution of Core-Shell Gold Nanoclusters: Aun(-) (n = 42-50).

    Science.gov (United States)

    Pande, Seema; Huang, Wei; Shao, Nan; Wang, Lei-Ming; Khetrapal, Navneet; Mei, Wai-Ning; Jian, Tian; Wang, Lai-Sheng; Zeng, Xiao Cheng

    2016-11-22

    Gold nanoclusters have attracted great attention in the past decade due to their remarkable size-dependent electronic, optical, and catalytic properties. However, the structures of large gold clusters are still not well-known because of the challenges in global structural searches. Here we report a joint photoelectron spectroscopy (PES) and theoretical study of the structural evolution of negatively charged core-shell gold nanoclusters (Aun(-)) for n = 42-50. Photoelectron spectra of size-selected Aun(-) clusters are well resolved with distinct spectral features, suggesting a dominating structural type. The combined PES data and density functional calculations allow us to systematically identify the global minimum or candidates of the global minima of these relatively large gold nanoclusters, which are found to possess low-symmetry structures with gradually increasing core sizes. Remarkably, the four-atom tetrahedral core, observed first in Au33(-), continues to be highly robust and is even present in clusters as large as Au42(-). Starting from Au43(-), a five-atom trigonal bipyramidal core appears and persists until Au47(-). Au48(-) possesses a six-atom core, while Au49(-) and Au50(-) feature seven- and eight-atom cores, respectively. Notably, both Au46(-) and Au47(-) contain a pyramidal Au20 motif, which is stacked with another truncated pyramid by sharing a common 10-atom triangular face. The present study sheds light on our understanding of the structural evolution of the medium-sized gold nanoclusters, the shells and core as well as how the core-shell structures may start to embrace the golden pyramid (bulk-like) fragment.

  20. 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

  1. 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%.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2007-10-14

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

  3. Actinometry of O, N and F atoms

    Science.gov (United States)

    Lopaev, D. V.; Volynets, A. V.; Zyryanov, S. M.; Zotovich, A. I.; Rakhimov, A. T.

    2017-02-01

    The applicability of actinometry for measuring the absolute concentration of O, N and F atoms in discharge plasma was studied. For this purpose, concentrations of these atoms were measured downstream of an ICP plasma by means of the actinometry method and of appearance potential mass-spectrometry (APMS). Comparison of the results showed good agreement between the two methods. Since the excitation cross sections of electron states O(3p 3P) and O(3p 5P) applied in actinometry are well tested, this allows using the APMS method for absolute calibration of the theoretical excitation cross sections for N and F atoms. As a result, total excitation cross sections σ \\text{e}\\text{total} of the atomic levels N(3p 4Po), F(3p 2Po) and F(3p 4Do) have been obtained for the first time. Since different types of electron energy distribution function (EEDF) were observed (Maxwellian, bi-Maxwellian and Druyvesteyn) the influence of these possible EEDF types on actinometric coefficients C\\text{Ar}X (X  =  O, N, F), that link the ratio of the atom and actinometer intensities {{I}X}/{{I}\\text{Ar}} with that of their concentrations [X]/[Ar], was also analyzed. It was shown that at the same ionization rate (effective electron temperature) the excitation rate constants k\\text{e}X,\\text{Ar} are highly sensitive to the shape of EEDF, whereas actinometric coefficients C\\text{Ar}X depend on it only slightly. Dependence of actinometric coefficients on electron temperature C\\text{Ar}X≤ft({{T}\\text{e}}\\right) is positive if the emitting level of the X-atom is lower than that of the actinometer, and negative if vice versa. The energy difference between the emitting states of O and Ar atoms is maximal (~3 eV), so that C\\text{Ar}\\text{O}≤ft({{T}\\text{e}}\\right) is not constant for a whole range of electron temperatures typical for discharge plasmas (~2–8 eV). For nitrogen atoms C\\text{Ar}\\text{N}≤ft({{T}\\text{e}}\\right) varies considerably with T e only when T

  4. 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.

  5. 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.

  6. 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.

  7. Magnetic properties of the 2D Fen core Xm (X = C, N, O, Cl, S and F) shell clusters embedded in graphene

    Science.gov (United States)

    Zhao, Ming-Yu; Zhao, Ru-Meng; Li, Wei; Ma, Ya-Qiang; Wang, Tian-Xing; Dai, Xian-Qi

    2017-01-01

    Utilizing first-principle calculations, the structural, electronic and magnetic properties of monolayer graphene embedded with Fen/Xm (X = C, N, O, Cl, S and F) core/shell clusters are investigated, where n = 1, 2, 3 and m = 4, 6, respectively. We find that the graphene embedding with the Fen/Xm core/shell clusters are magnetic except the Fe/S4, Fe2/C4 and Fe3/Cl6 core/shell clusters. The graphene embedding with the Fe3/F6 core/shell cluster has the largest magnetic moment in these systems. Magnetism for Fen/Xm core/shell clusters embedded in monolayer graphene can be ascribed to the ferromagnetic coupling between the Fe atoms. Our calculations demonstrate that Fe atoms are successfully isolated at various C, N, O, Cl, S and F shells in graphene to preserve the high-spin state. On the other hand, the high-spin state is also effectively controlled by the amount of Fe atoms. The electron spin can be stored in magnetic thin film, lithographically prepared quantum dots, and electromagnetic traps. The Fen/Xm core/shell clusters embedded in graphene can be considered to have potential applications in nanoelectronics, spintronics and magnetic storage devices.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2011-12-23

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

  9. Blockade involving high- n, n ~ 300 , strontium Rydberg atoms

    Science.gov (United States)

    Yoshida, Shuhei; Burgdörfer, Joachim; Zhang, Xinyue; Dunning, F. Barry

    2016-05-01

    The blockade of high- n strontium n1F3 Rydberg states contained in a hot atomic beam is investigated both theoretically and experimentally. One difficulty in such experiments is that, once created, Rydberg atoms move out of the excitation volume reducing blockade effects. While the effects of such motion are apparent, the data provide strong evidence of blockade, consistent with theoretical predictions. Because of their relatively high angular momentum (L = 3) , a pair of n1F3 Rydberg atoms have many degenerate states whose degeneracy is removed by Rydberg-Rydberg interactions yielding a high density of states near the target energy. To evaluate the effect of blockade not only the energy shifts but also the modification of the oscillator strengths for excitation have to be taken into account. The n-scaling of the interactions and the importance of high-order multipoles will also be discussed. Research supported by the NSF and Robert A. Welch Foundation.

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

    Science.gov (United States)

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

    2015-03-15

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

  11. 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.

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

    Science.gov (United States)

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

    2012-11-01

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

  13. 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.

  14. 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.

  15. The N = 16 spherical shell closure in 24O

    CERN Document Server

    Tshoo, K; Bhang, H; Choi, S; Nakamura, T; Kondo, Y; Deguchi, S; Kawada, Y; Kobayashi, N; Nakayama, Y; Tanaka, K N; Tanaka, N; Aoi, N; Ishihara, M; Motobayashi, T; Otsu, H; Sakurai, H; Takeuchi, S; Togano, Y; Yoneda, K; Li, Z H; Delaunay, F; Gibelin, J; Marqués, F M; Orr, N A; Honda, T; Matsushita, M; Kobayashi, T; Miyashita, Y; Sumikama, T; Yoshinaga, K; Shimoura, S; Sohler, D; Zheng, T; Cao, Z X

    2012-01-01

    The unbound excited states of the neutron drip-line isotope 24O have been investigated via the 24O(p,p')23O+n reaction in inverse kinematics at a beam energy of 62 MeV/nucleon. The decay energy spectrum of 24O* was reconstructed from the momenta of 23O and the neutron. The spin-parity of the first excited state, observed at Ex = 4.65 +/- 0.14 MeV, was determined to be Jpi = 2+ from the angular distribution of the cross section. Higher lying states were also observed. The quadrupole transition parameter beta2 of the 2+ state was deduced, for the first time, to be 0.15 +/- 0.04. The relatively high excitation energy and small beta2 value are indicative of the N = 16 shell closure in 24O.

  16. 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.

  17. Production of high-n strontium Rydberg atoms

    Science.gov (United States)

    Ye, S.; Zhang, X.; Killian, T. C.; Dunning, F. B.; Hiller, M.; Yoshida, S.; Burgdörfer, J.

    2014-04-01

    The photoexcitation of strontium Rydberg atoms with n ~ 300 is being examined using a crossed laser-atom beam approach to enable study of quasi-stable two-electron excited states and of strongly-coupled Rydberg systems.

  18. Exotic α decays around the N=126 magic shell

    Science.gov (United States)

    Ni, Dongdong; Ren, Zhongzhou

    2009-07-01

    We investigate the α-decay half-lives of the exotic N=125,126,127 isotones by the generalized density-dependent cluster model (GDDCM) in combination with the microscopic two-level model. The decay widths are calculated using the overlap integral of the quasibound state wave function, the scattering state wave function, and the difference of potentials, instead of using the simple semiclassical WKB method along with the Bohr-Sommerfeld quantization condition. The α-preformation factors are evaluated by the Z-dependent formula based on the two-level model, where the closed-shell effect is included. The calculated half-lives of α transitions to both ground states and excited states are found to be in good agreement with the experimental data.

  19. Some studies of the interaction between N-two level atoms and three level atom

    Directory of Open Access Journals (Sweden)

    D.A.M. Abo-Kahla

    2016-07-01

    Full Text Available In this paper, we present the analytical solution for the model that describes the interaction between a three level atom and two systems of N-two level atoms. The effect of the quantum numbers on the atomic inversion and the purity, for some special cases of the initial states, are investigated. We observe that the atomic inversion and the purity change remarkably by the change of the quantum numbers.

  20. 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.

  1. 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 .

  2. 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+}$.

  3. 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.

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

    Science.gov (United States)

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

    1995-07-01

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

  5. 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.

  6. 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.

  7. 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)

  8. Core@shell Poly(n-butylacrylate)@polystyrene Nanoparticles: Baroplastic Force-Responsiveness in Presence of Strong Phase Separation.

    Science.gov (United States)

    Bonetti, Simone; Farina, Matteo; Mauri, Michele; Koynov, Kaloian; Butt, Hans-Jürgen; Kappl, Michael; Simonutti, Roberto

    2016-04-01

    Poly(n-butylacrylate)@polystyrene nanoparticles behaving as a capsule-based sealing nanoadditive are synthesized through an optimized semicontinuous emulsion polymerization protocol. Solid state time-domain (1)H-NMR and (13)C magic angle spinning (MAS) NMR analysis suggest strong phase separation. Line width of (13)C resonances in cross polarization and single pulse experiment MAS-NMR spectra indicates that the peculiar mobility of each phase is preserved at the nanoscale. Atomic force spectroscopy (AFM) shows the permanence of spherical shape in absence of solvent (i.e., subsequent to strong capillary and surface forces) up to moderate external load, as well as the possibility of plastically deforming the polystyrene shell and ultimately triggering the nanoparticle flow at higher force loads. The breakdown characteristic of the nanoparticle shows for the first time baroplastic behavior on a single particle with precise biphasic core@shell morphology.

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

    Science.gov (United States)

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

    1995-12-01

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

  10. 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.

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

    Science.gov (United States)

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

    2016-06-22

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

  12. 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.

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

    NARCIS (Netherlands)

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

    2005-01-01

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

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

    Science.gov (United States)

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

    2009-03-01

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

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

    Science.gov (United States)

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

    1983-01-01

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

  16. 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.

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

    Science.gov (United States)

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

    2007-02-13

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

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

    Science.gov (United States)

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

    1975-01-01

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

  19. 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.

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

    Institute of Scientific and Technical Information of China (English)

    YAKAR,Yusuf

    2007-01-01

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

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

    NARCIS (Netherlands)

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

    2007-01-01

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

  2. Exploring the changing of shell structure of nuclei at N=50

    Energy Technology Data Exchange (ETDEWEB)

    De Angelis, G. [Istituto Nazionale di Fisica Nucleare laboratori Nazionali di Legnaro, Legnaro (Italy); Duchene, G.; Faul, T. [IPHC, IN2P3/CNRS et Universite' Louis Pasteur, Strasbourg, (France)] (and others)

    2005-07-01

    Here it is reported an experimental study of the excited structures of the neutron-rich N=50 and 51 isotones. New experimental information has been obtained on a wide range of nuclei close to the N=50 shell closure by means of multi-nucleon transfer and deep-inelastic collisions. The reaction mechanism allows the population of medium and high-spin yrast states. The systematic of the N=51 single-neutron states, extended down to the Z=34, can be used to test the predictions of the shell evolution based on the effects of the tensor interactions as well as of the different effective interactions.

  3. 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...

  4. 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

  5. Structure and atomic vibrations in bimetallic Ni13 - n Al n clusters

    Science.gov (United States)

    Rusina, G. G.; Borisova, S. D.; Chulkov, E. V.

    2015-04-01

    The binding energy, equilibrium geometry, and vibration frequencies in bimetallic clusters Ni13 - n Al n ( n = 0-13) have been calculated using the embedded atom method potentials. It has been shown that the icosahedral structure is the most stable in monoatomic and bimetallic clusters. A tendency of Al atoms to segregate on the cluster surface has been revealed in agreement with the experimental data. The calculations of the atomic vibrations have shown the nonmonotonic dependence of the minimum and maximum vibration frequencies of cluster atoms on its composition and the coupling of their extreme values with the most stable atomic configuration. The increase in the number of Al atoms leads to the shift of the frequency spectrum and the substantial redistribution of the localization of vibrations on the cluster atoms.

  6. 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.

  7. 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.

  8. 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...

  9. Production of very-high-n strontium Rydberg atoms

    Science.gov (United States)

    Ye, S.; Zhang, X.; Killian, T. C.; Dunning, F. B.; Hiller, M.; Yoshida, S.; Nagele, S.; Burgdörfer, J.

    2013-10-01

    The production of very-high-n (n˜300-500) strontium Rydberg atoms is explored using a crossed-laser-atom-beam geometry. n1S0 and n1D2 states are created by two-photon excitation via the 5s5p 1P1 intermediate state using radiation with wavelengths of ˜461 and ˜413 nm. Rydberg atom densities as high as ˜3×105 cm-3 have been achieved, sufficient that Rydberg-Rydberg interactions can become important. The isotope shifts in the Rydberg series limits are determined by tuning the 461-nm light to preferentially excite the different strontium isotopes. Photoexcitation in the presence of an applied electric field is examined. The initially quadratic Stark shift of the n1P1 and n1D2 states becomes near-linear at higher fields and the possible use of n1D2 states to create strongly polarized, quasi-one-dimensional electronic states in strontium is discussed. The data are analyzed with the aid of a two-active-electron (TAE) approximation. The two-electron Hamiltonian, within which the Sr2+ core is represented by a semi-empirical potential, is numerically diagonalized allowing the calculation of the energies of high-n Rydberg states and their photoexcitation probabilities.

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

    CERN Document Server

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

    2016-01-01

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

  11. Kaonic atoms and in-medium K-N amplitudes

    Science.gov (United States)

    Friedman, E.; Gal, A.

    2012-05-01

    Recent work on the connection between in-medium subthreshold K-N amplitudes and kaonic atom potentials is updated by using a next to leading order chirally motivated coupled channel separable interaction model that reproduces K¯N observables at low energies, including the very recent SIDDHARTA results for the atomic K--hydrogen 1s level shift and width. The corresponding K--nucleus potential is evaluated self-consistently within a single-nucleon approach and is critically reviewed with respect to empirical features of phenomenological optical potentials. The need to supplement the single-nucleon based approach with multi-nucleon interactions is demonstrated by showing that additional empirical absorptive and dispersive terms, beyond the reach of chirally motivated K--nucleus potentials, are required in order to achieve good agreement with the bulk of the data on kaonic atoms.

  12. Production of very-high-$n$ strontium Rydberg atoms

    CERN Document Server

    Ye, Shuzhen; Killian, Thomas C; Dunning, F Barry; Hiller, Moritz; Yoshida, Shuhei; Nagele, Stefan; Burgdörfer, Joachim

    2013-01-01

    The production of very-high-$n$, $n\\sim300$-500, strontium Rydberg atoms is explored using a crossed laser-atom beam geometry. $n$$^{1}$S$_{0}$ and $n$$^{1}$D$_{2}$ states are created by two-photon excitation via the 5s5p $^{1}$P$_{1}$ intermediate state using radiation with wavelengths of $\\sim$~461 and $\\sim$ 413 nm. Rydberg atom densities as high as $\\sim 3 \\times 10^{5}$ cm$^{-3}$ have been achieved, sufficient that Rydberg-Rydberg interactions can become important. The isotope shifts in the Rydberg series limits are determined by tuning the 461 nm light to preferentially excite the different strontium isotopes. Photoexcitation in the presence of an applied electric field is examined. The initially quadratic Stark shift of the $n$$^{1}$P$_{1}$ and $n$$^{1}$D$_{2}$ states becomes near-linear at higher fields and the possible use of $n{}^{1}$D$_{2}$ states to create strongly-polarized, quasi-one-dimensional electronic states in strontium is discussed. The data are analyzed with the aid of a two-active-elect...

  13. 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...

  14. 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.

  15. 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.

  16. Spontaneous formation of GaN/AlN core-shell nanowires on sapphire by hydride vapor phase epitaxy

    Science.gov (United States)

    Trassoudaine, Agnès; Roche, Elissa; Bougerol, Catherine; André, Yamina; Avit, Geoffrey; Monier, Guillaume; Ramdani, Mohammed Réda; Gil, Evelyne; Castelluci, Dominique; Dubrovskii, Vladimir G.

    2016-11-01

    Spontaneous GaN/AlN core-shell nanowires with high crystal quality were synthesized on sapphire substrates by vapor-liquid-solid hydride vapor phase epitaxy (VLS-HVPE) without any voluntary aluminum source. Deposition of aluminum is difficult to achieve in this growth technique which uses metal-chloride gaseous precursors: the strong interaction between the AlCl gaseous molecules and the quartz reactor yields a huge parasitic nucleation on the walls of the reactor upstream the substrate. We open up an innovative method to produce GaN/AlN structures by HVPE, thanks to aluminum etching from the sapphire substrate followed by redeposition onto the sidewalls of the GaN core. The paper presents the structural characterization of GaN/AlN core-shell nanowires, speculates on the growth mechanism and discusses a model which describes this unexpected behavior.

  17. 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.

  18. 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.

  19. Characterizing high- n quasi-one-dimensional strontium Rydberg atoms

    Science.gov (United States)

    Hiller, Moritz; Yoshida, Shuhei; Burgdörfer, Joachim; Ye, Shuzhen; Zhang, Xinyue; Dunning, F. Barry

    2014-05-01

    The production of high- n, n ~ 300 , quasi-one-dimensional strontium Rydberg atoms by two-photon excitation of selected extreme Stark states in the presence of a weak dc field is examined using a crossed laser-atom beam geometry. The polarization of the product states is probed using three independent techniques which are analyzed with the aid of classical-trajectory Monte Carlo simulations that employ initial ensembles based on quantum calculations using a two-active-electron model. Comparisons between theory and experiment demonstrate that the product states have large dipole moments, ~ 1 . 0 - 1 . 2n2 a . u . and that they can be engineered using pulsed electric fields to create a wide variety of target states. Research supported by the NSF, the Robert A Welch Foundation, and the FWF (Austria).

  20. Homoepitaxial n-core: p-shell gallium nitride nanowires: HVPE overgrowth on MBE nanowires.

    Science.gov (United States)

    Sanders, Aric; Blanchard, Paul; Bertness, Kris; Brubaker, Matthew; Dodson, Christopher; Harvey, Todd; Herrero, Andrew; Rourke, Devin; Schlager, John; Sanford, Norman; Chiaramonti, Ann N; Davydov, Albert; Motayed, Abhishek; Tsvetkov, Denis

    2011-11-18

    We present the homoepitaxial growth of p-type, magnesium doped gallium nitride shells by use of halide vapor phase epitaxy (HVPE) on n-type gallium nitride nanowires grown by plasma-assisted molecular beam epitaxy (MBE). Scanning electron microscopy shows clear dopant contrast between the core and shell of the nanowire. The growth of magnesium doped nanowire shells shows little or no effect on the lattice parameters of the underlying nanowires, as measured by x-ray diffraction (XRD). Photoluminescence measurements of the nanowires show the appearance of sub-bandgap features in the blue and the ultraviolet, indicating the presence of acceptors. Finally, electrical measurements confirm the presence of electrically active holes in the nanowires.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-08-15

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

  2. 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...

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

    Science.gov (United States)

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

    2017-04-01

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

  4. Exploring dipole blockade using high- n strontium Rydberg atoms

    Science.gov (United States)

    Zhang, Xinyue; Ye, Shuzhen; Dunning, F. Barry; Hiller, Moritz; Yoshida, Shuhei; Burgdörfer, Joachim

    2014-05-01

    Studies of the production of strongly-polarized quasi-1D high- n, n ~ 300 , strontium `` nF'' Rydberg states in an atomic beam by three-photon excitation in a weak dc field suggest that (in the absence of blockade effects) densities of ~106 cm-3 might be achieved. At such densities the interparticle separation, ~ 100 μm , becomes comparable to that at which dipole blockade effects are expected to become important. Apparatus modifications are underway to allow the exploration of blockade at very high- n and the effects of the high energy level density. Blockade is also being examined through calculations of the energy spectrum for two interaction atoms. Access to the blockade regime promises creation of Rydberg atoms at well-defined separations whose interactions can be coherently controlled using electric field pulses thereby enabling study of the dynamics of strongly-coupled Rydberg systems. Research supported by the NSF, the Robert A. Welch Foundation, and the FWF (Austria).

  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. 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

  7. 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.

  8. δ15N Values in Crassostrea virginica Shells Provides Early Direct Evidence for Nitrogen Loading to Chesapeake Bay

    Science.gov (United States)

    Black, H. D.; Andrus, C. F. T.; Lambert, W. J.; Rick, T. C.; Gillikin, D. P.

    2017-01-01

    Crassostrea virginica is one of the most common estuarine bivalves in the United States’ east coast and is frequently found in archaeological sites and sub-fossil deposits. Although there have been several sclerochronological studies on stable carbon and oxygen isotopes in the shells of this species, less is known about δ15N values within their shells, which could be a useful paleoenvironmental proxy to assess estuarine nitrogen dynamics. Modern C. virginica samples were collected in Chesapeake Bay for comparison with archaeological shells from nearby sites ranging in age from ~100 to 3,200 years old. Left valves were sampled by milling the hinge area and the resulting powder was analyzed for %N and δ15N values. Comparison of δ15N values between C. virginica shells shows relatively constant values from ~1250 BC to ~1800 AD. After ~1800 AD, there are rapid increases in 15N enrichment in the shells, which continue to increase in value up to the modern shell values. The increase in δ15N values is evidence of early anthropogenic impact in Chesapeake Bay. These results corroborate the observation that coastal nitrogen pollution occurred earlier than the 19th century and support the use of oyster shell δ15N values as a useful environmental proxy. PMID:28281649

  9. Core–shell formation in self-induced InAlN nanorods

    Science.gov (United States)

    Palisaitis, J.; Hsiao, C.-L.; Hultman, L.; Birch, J.; Persson, P. O. Å.

    2017-03-01

    We have examined the early stages of self-induced InAlN core–shell nanorod (NR) formation processes on amorphous carbon substrates in plan-view geometry by means of transmission electron microscopy methods. The results show that the grown structure phase separates during the initial moments of deposition into a majority of Al-rich InAlN and a minority of In-enriched InAlN islands. The islands possess polygonal shapes and are mainly oriented along a crystallographic c-axis. The growth proceeds with densification and coalescence of the In-enriched islands, resulting in a base for the In-enriched NR cores with shape transformation to hexagonal. The Al-rich shell formation around such early cores is observed at this stage. The matured core–shell structure grows axially and radially, eventually reaching a steady growth state which is dominated by the axial NR growth. We discuss the NR formation mechanism by considering the adatom surface kinetics, island surface energy, phase separation of InAlN alloys, and incoming flux directions during dual magnetron sputter epitaxy.

  10. Fabrication and photoelectrochemical properties of silicon nanowires/g-C3N4 core/shell arrays

    Science.gov (United States)

    Chen, Zhen; Ma, Ge; Chen, Zhihong; Zhang, Yongguang; Zhang, Zhe; Gao, Jinwei; Meng, Qingguo; Yuan, Mingzhe; Wang, Xin; Liu, Jun-ming; Zhou, Guofu

    2017-02-01

    A photoelectrochemical (PEC) cell made of metal-free carbon nitride (g-C3N4) @siliconnanowire(Si NW) arrays (denoted as Si NWs/g-C3N4) is presented in this work. The as-prepared photoelectrodes with different mass contents of g-C3N4 have been synthesized via a metal-catalyzed electroless etching (MCEE), liquid atomic layer deposition (LALD) and annealing methods. The amount of g-C3N4 on the Si NW arrays can be controlled by tuning the concentration of the cyanamide solution used in the LALD procedure. The dense and vertically aligned Si NWs/g-C3N4 core/shell nanostructures were characterized by scanning electron microscopy (SEM), transmission electron microscopy (TEM), and X-ray diffraction (XRD). In comparison with FTO/g-C3N4 and Si NW samples, the Si NWs/g-C3N4 samples showed significantly enhanced photocurrents over the entire potential sweep range. Electrochemical impedance spectroscopy (EIS) was conducted to investigate the properties of the charge transfer process, and the results indicated that the enhanced PEC performance may be due to the increased photo-generated interfacial charge transfer between the Si NWs and g-C3N4. The photocurrent density reached 45 μA/cm2 under 100 mW/cm2 (AM 1.5 G) illumination at 0 V (vs. Pt) in neutral Na2SO4 solution (pH ∼ 7.62). Finally, a systematical PEC mechanism of the Si NWs/g-C3N4 was proposed.

  11. 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...

  12. 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.

  13. 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.

  14. 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.

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

    Energy Technology Data Exchange (ETDEWEB)

    Ioannou, J.G.

    1977-12-01

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

  16. Multi-section core-shell InGaN/GaN quantum-well nanorod light-emitting diode array.

    Science.gov (United States)

    Tu, Charng-Gan; Yao, Yu-Feng; Liao, Che-Hao; Su, Chia-Ying; Hsieh, Chieh; Weng, Chi-Ming; Lin, Chun-Han; Chen, Hao-Tsung; Kiang, Yean-Woei; Yang, C C

    2015-08-24

    The growth of a two-section, core-shell, InGaN/GaN quantum-well (QW) nanorod- (NR-) array light-emitting diode device based on a pulsed growth technique with metalorganic chemical vapor deposition is demonstrated. A two-section n-GaN NR is grown through a tapering process for forming two uniform NR sections of different cross-sectional sizes. The cathodoluminescence (CL), photoluminescence (PL), and electrolumines-cence (EL) characterization results of the two-section NR structure are compared with those of a single-section NR sample, which is prepared under the similar condition to that for the first uniform NR section of the two-section sample. All the CL, PL, and EL spectra of the two-section sample (peaked between 520 and 525 nm) are red-shifted from those of the single-section sample (peaked around 490 nm) by >30 nm in wavelength. Also, the emitted spectral widths of the two-section sample become significantly larger than their counterparts of the single-section sample. The PL spectral full-width at half-maximum increases from ~37 to ~61 nm. Such variations are attributed to the higher indium incorporation in the sidewall QWs of the two-section sample due to the stronger strain relaxation in an NR section of a smaller cross-sectional size and the more constituent atom supply from the larger gap volume between neighboring NRs.

  17. 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...

  18. 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

  19. 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.

  20. 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.

  1. 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

  2. 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.

  3. 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.)

  4. Evolution of the Water Maser Expanding Shell in W75N VLA 2

    CERN Document Server

    Kim, Jeong-Sook; Kurayama, Tomoharu; Honma, Mareki; Sasao, Tesuo; Surcis, Gabriele; Canto, Jorge; Torrelles, Jose M; Kim, Sang Joon

    2013-01-01

    We present Very Long Baseline Interferometry (VLBI) observations of 22 GHz H$_2$O masers in the high-mass star-forming region of \\objectname{W75N}, carried out with VLBI Exploration of Radio Astrometry (VERA) for three-epochs in 2007 with an angular resolution of $\\sim$ 1 mas. We detected H$_2$O maser emission toward the radio jet in VLA 1 and the expanding shell-like structure in VLA 2. .......... We have made elliptical fits to the VLA 2 H$_2$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 the epochs 1999 ($\\simeq$ 71$\\pm$1 mas), 2005 ($\\simeq$ 97$\\pm$3 mas), and 2007 ($\\simeq$ 111$\\pm$1 mas), we estimate an average expanding velocity of $\\sim$ 5 mas yr$^{-1}$, similar to the proper motions measured in the individual H$_2$O maser features. A kinematic age of $\\sim$ 20 yr is derived for this structure. In addition, ...

  5. 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.

  6. 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...

  7. 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

  8. MOVPE growth of position-controlled InGaN / GaN core-shell nanorods

    Energy Technology Data Exchange (ETDEWEB)

    Mandl, Martin [Osram Opto Semiconductors GmbH, Regensburg (Germany); Institut fuer Halbleitertechnik, TU Braunschweig (Germany); Schimpke, Tilman; Binder, Michael; Galler, Bastian; Lugauer, Hans-Juergen; Strassburg, Martin [Osram Opto Semiconductors GmbH, Regensburg (Germany); Wang, Xue; Ledig, Johannes; Ehrenburg, Milena; Wehmann, Hergo-Heinrich; Waag, Andreas [Institut fuer Halbleitertechnik, TU Braunschweig (Germany); Kong, Xiang; Trampert, Achim [Paul-Drude-Institut fuer Festkoerperelektronik, Berlin (Germany)

    2013-07-01

    Core-shell group III-nitride nano- and microrods (NAMs) enable a significant increase of the active layer area by exploiting the non-polar side facets (m-planes) and thus can potentially contribute to mitigating the so-called efficiency droop in LEDs. GaN NAMs exhibiting high aspect ratios were grown in a production-type MOVPE system. Low V/III ratio, hydrogen-rich carrier gas mixture and surfactants supported the 3D growth of the pencil-shape n-type GaN core. Desired narrow distributions of shape, diameter and height were achieved. The arrangement of the NAMs was controlled by patterns etched into SiO{sub 2} masks deposited on GaN templates. The active layer (InGaN/GaN SQW and MQWs) and the layer for the p-side were deposited with 2D-like conditions wrapped around the core. The crystalline quality of the NAMs, shell growth rates and the Indium distribution were investigated by high resolution transmission electron microscopy. Furthermore, optical emission was studied using density-dependent photoluminescence spectroscopy.

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

    Energy Technology Data Exchange (ETDEWEB)

    Grau Malonda, A.; Fernandez Martinez, A.

    1985-07-01

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

  10. Mass measurements of {sup 56-57}Cr and the question of shell reincarnation at N = 32

    Energy Technology Data Exchange (ETDEWEB)

    Guenaut, C [CSNSM-IN2P3/CNRS, Universite de Paris Sud, 91405 Orsay (France); Audi, G [CSNSM-IN2P3/CNRS, Universite de Paris Sud, 91405 Orsay (France); Beck, D [GSI, Planckstrasse 1, 64291 Darmstadt (Germany)] [and others

    2005-10-01

    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 {sup 56-57}Cr for which an accuracy of 4 x 10{sup -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 {sup 94}Sr.

  11. Hydrazide functionalized core-shell magnetic nanocomposites for highly specific enrichment of N-glycopeptides.

    Science.gov (United States)

    Liu, Liting; Yu, Meng; Zhang, Ying; Wang, Changchun; Lu, Haojie

    2014-05-28

    In view of the biological significance of glycosylation for human health, profiling of glycoproteome from complex biological samples is highly inclined toward the discovery of disease biomarkers and clinical diagnosis. Nevertheless, because of the existence of glycopeptides at relatively low abundances compared with nonglycosylated peptides and glycan microheterogeneity, glycopeptides need to be highly selectively enriched from complex biological samples for mass spectrometry analysis. Herein, a new type of hydrazide functionalized core-shell magnetic nanocomposite has been synthesized for highly specific enrichment of N-glycopeptides. The nanocomposites with both the magnetic core and the polymer shell hanging high density of hydrazide groups were prepared by first functionalization of the magnetic core with polymethacrylic acid by reflux precipitation polymerization to obtain the Fe3O4@poly(methacrylic acid) (Fe3O4@PMAA) and then modification of the surface of Fe3O4@PMAA with adipic acid dihydrazide (ADH) to obtain Fe3O4@poly(methacrylic hydrazide) (Fe3O4@PMAH). The abundant hydrazide groups toward highly specific enrichment of glycopeptides and the magnetic core make it suitable for large-scale, high-throughput, and automated sample processing. In addition, the hydrophilic polymer surface can provide low nonspecific adsorption of other peptides. Compared to commercially available hydrazide resin, Fe3O4@PMAH improved more than 5 times the signal-to-noise ratio of standard glycopeptides. Finally, this nanocomposite was applied in the profiling of N-glycoproteome from the colorectal cancer patient serum. In total, 175 unique glycopeptides and 181 glycosylation sites corresponding to 63 unique glycoproteins were identified in three repeated experiments, with the specificities of the enriched glycopeptides and corresponding glycoproteins of 69.6% and 80.9%, respectively. Because of all these attractive features, we believe that this novel hydrazide functionalized

  12. 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...

  13. 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.

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

    Science.gov (United States)

    Dong, Alideertu; Huang, Jinfeng; Lan, Shi; Wang, Tao; Xiao, Linghan; Wang, Weiwei; Zhao, Tianyi; Zheng, Xin; Liu, Fengqi; Gao, Ge; Chen, Yuxin

    2011-07-01

    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.

  15. Large scale shell model calculations along Z=28 and N=50 closures: towards the doubly-magic 78Ni

    CERN Document Server

    Sieja, K

    2012-01-01

    We present the state-of-the art shell model calculations in a large model space (pf for protons, fpgd for neutrons), which allow to study simultaneously excitations across the Z=28 and N=50 shell gaps. We explore the region in the vicinity of 78Ni, being a subject of intense experimental investigations. Our calculations account correctly for the known low lying excited states in this region, including those which may correspond to cross-shell excitations. We observe the minimum of the N=50 mass gap at Z=32 consistent with experimental data and its further increase towards Z=28, indicating a robustness of the N=50 gap in 78Ni. The evolution of N=50 gap along the nickel chain is shown to bear similarities with what is know in oxygen and calcium chains, providing a new opportunity for the studies of 3-body monopole effects in medium mass nuclei.

  16. 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.

  17. 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.

  18. Synthesis and characterization of biocompatible antimicrobial N-halamine-functionalized titanium dioxide core-shell nanoparticles.

    Science.gov (United States)

    Li, Lin; Ma, Wei; Cheng, Xiaoli; Ren, Xuehong; Xie, Zhiwei; Liang, Jie

    2016-12-01

    As one of the most powerful biocides, N-halamine based antimicrobial materials have attracted much interest due to their non-toxicity, rechargeability, and rapid inactivation against a broad range of microorganisms. In this study, novel titanium dioxide-ADMH core-shell nanoparticles [TiO2@poly (ADMH-co-MMA) NPs] were prepared via miniemulsion polymerization using 3-allyl-5,5-dimethylhydantoin (ADMH) and methyl methacrylate (MMA) with nano-TiO2. The produced nanoparticles were characterized by FT-IR, TEM, TGA, and XPS. The UV stability of N-halamine nanoparticles has been improved with the addition of titanium dioxide. After chlorination treatment by sodium hypochlorite, biocidal efficacies of the chlorinated nanoparticles against S. aureus (ATCC 6538) and E. coli O157:H7 (ATCC 43895) were determined. The nanoparticles showed excellent antimicrobial properties against bacteria within brief contact time. In addition, in vitro cell cytocompatibility tests showed that the antibacterial nanoparticles had good biocompatibility.

  19. 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.

  20. 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)

  1. 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.

  2. Structure and analysis of atomic vibrations in clusters of Cu n ( n ≤ 20)

    Science.gov (United States)

    Rusina, G. G.; Borisova, S. D.; Chulkov, E. V.

    2013-02-01

    The binding energy, equilibrium geometry, and vibration frequencies of free clusters Cu n (2 ≤ n ≤ 20) are calculated using the potentials of interatomic interactions found using the tight-binding approximation. The nonmonotonic dependence of the clusters' minimum vibration frequency on their sizes and the extreme values for the number of atoms in a cluster n = 4, 6, 13, and 19 is demonstrated. It is noted that this result agrees with the theoretical and experimental data on stable structures of small and medium metallic clusters.

  3. 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.

  4. 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.

  5. 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.

  6. THERMOSENSITIVITY OF NARROW-DISPERSED POLY(N-N-PROPYLACRYLAMIDE) PREPARED BY ATOM TRANSFER RADICAL POLYMERIZATION

    Institute of Scientific and Technical Information of China (English)

    Hua-yong Hu; Jing Du; Qing-bin Meng; Zhan-yong Li; Xiao-xia Zhu

    2008-01-01

    Controlled polymerization of N-n-propylacrylamide was achieved by atom transfer radical polymerization (ATRP)in a N,N-dimethylformamide-water mixture (50 vol%) at room temperature with methyl 2-chloropropinonate as initiator andCuCl/tris(2-dimethylaminoethyl)amine as the catalytic system in a ratio of 1:1:1. High molecular weight homopolymers (upto 3.7×104) with narrow molecular weight distribution (less than 1.2) were obtained. The living character of thepolymerization was further demonstrated by self-blocking experiment. An inverse molecular weight dependence of the cloudpoint of narrow-dispersed poly(N-n-propylacrylamide) aqueous solution was determined by turbidimetry and differentialscanning calorimetry, especially for the low molecular weight samples.

  7. 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.

  8. 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.

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

    Science.gov (United States)

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

    2013-09-23

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

  10. 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.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2009-03-02

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

  12. 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.

  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. Multimillion-atom molecular dynamics simulation of atomic level stresses in Si(111)/Si3N4(0001) nanopixels

    Science.gov (United States)

    Bachlechner, Martina E.; Omeltchenko, Andrey; Nakano, Aiichiro; Kalia, Rajiv K.; Vashishta, Priya; Ebbsjö, Ingvar; Madhukar, Anupam; Messina, Paul

    1998-04-01

    Ten million atom multiresolution molecular-dynamics simulations are performed on parallel computers to determine atomic-level stress distributions in a 54 nm nanopixel on a 0.1 μm silicon substrate. Effects of surfaces, edges, and lattice mismatch at the Si(111)/Si3N4(0001) interface on the stress distributions are investigated. Stresses are found to be highly inhomogeneous in the nanopixel. The top surface of silicon nitride has a compressive stress of +3 GPa and the stress is tensile, -1 GPa, in silicon below the interface.

  15. 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...

  16. 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...

  17. Decay Spectroscopy of Neutron-Rich Cd Around the N = 82 Shell Closure

    Science.gov (United States)

    Bernier, Nikita; Dillmann, Iris; Kruecken, Reiner; Griffin Collaboration

    2016-09-01

    The neutron-rich region around A = 132 is of special interest for nuclear astrophysics and nuclear structure. This region is connected with the second r-process abundance peak at A 130 and the waiting-point nuclei around N = 82. For nuclear structure studies, the neighbours of the doubly-magic 132Sn (Z = 50, N = 82) are an ideal test ground for shell model predictions. The beta-decay of the N = 82 isotope 130Cd into 130In was first investigated a decade ago, but the information for states of the lighter indium isotopes (128,129In) is still limited. In the present experiment, a detailed gamma-spectroscopy of the beta-decay of 128-132Cd was achieved with the newly commissioned GRIFFIN (Gamma-Ray Infrastructure For Fundamental Investigations of Nuclei) gamma-ray spectrometer, which is capable of measuring down to rates of 0.1 pps. The low-energy cadmium isotopes were implanted into a movable tape at the central focus of the array from the ISAC-I facility at TRIUMF. The beta-tagging was performed using the auxiliary beta-particle detector SCEPTAR. The required beta-gamma(-gamma) coincidence data in high statistics needed to fill the spectroscopic gaps described in literature were obtained. The ongoing analysis of these data will be presented. Work supported by the Natural Sciences and Engineering Research Council of Canada and the National Research Council of Canada.

  18. 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...

  19. 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)

  20. 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.)

  1. Real-Time Packing Behavior of Core-Shell Silica@Poly(N-isopropylacrylamide Microspheres as Photonic Crystals for Visualizing in Thermal Sensing

    Directory of Open Access Journals (Sweden)

    Karthikeyan Manivannan

    2016-12-01

    Full Text Available We grafted thermo-responsive poly(N-isopropylacrylamide (PNIPAM brushes from monodisperse SiO2 microspheres through surface-initiated atom transfer radical polymerization (SI ATRP to generate core-shell structured SiO2@PNIPAM microspheres (SPMs. Regular-sized SPMs dispersed in aqueous solution and packed as photonic crystals (PCs in dry state. Because of the microscale of the SPMs, the packing behavior of the PCs in water can be observed by optical microscopy. By increasing the temperature above the lower critical solution temperature (LCST of PNIPAM, the reversible swelling and shrinking of the PNIPAM shell resulted in dispersion and precipitation (three-dimensional aggregation of the SPM in aqueous solution. The SPMs were microdispersed in a water layer to accommodate the aggregation along two dimensions. In the microdispersion, the SPMs are packed as PCs with microscale spacing between SPMs below the LCST. When the temperature is increased above the LCST, the microdispersed PCs exhibited a close-packed arrangement along two dimensions with decreased spacing between SPMs. The change in spacing with increasing temperature above the LCST resulted in a color change from red to blue, which could be observed by the naked eye at an incident angle. Thus, the SPM array could be applied as a visual temperature sensor.

  2. 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...

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

    CERN Document Server

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

    2014-01-01

    We have carried out a multi-wavelength 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 ten molecular clumps detected. Among them, five have reliable detection in both 12CO and 13CO and have similar LTE and non-LTE masses ranging from 200 to higher than 5,000 M_sun. With larger gas masses than virial masses, these five clumps are gravitationally unstable and have 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 ...

  4. 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.)

  5. 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.

  6. 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.

  7. Transport Imaging for Contact-Free Measurements of Minority Carrier Diffusion in GaN, GaN/AlGaN, and GaN/InGaN Core-Shell Nanowires

    Science.gov (United States)

    2011-01-01

    to be 1017 cm−3 based on measured resistivity as a function of diameter and modeling of surface depletion effects.17 InGaN shell growth18 was carried...87, 241918 2005. 9S. F. Chichibu, H. Marchand, M. S. Minsky , S. Keller, P. T. Fini, J. P. Ibbetson, S. B. Fleischer, J. S. Speck, J. E. Bowers, E. Hu

  8. The stability of biradicaloid versus closed-shell [E(μ-XR)]2 (E = P, As; X = N, P, As) rings. Does aromaticity play a role?

    Science.gov (United States)

    Grande-Aztatzi, Rafael; Mercero, Jose M; Ugalde, Jesus M

    2016-04-28

    High-level multiconfigurational self-consistent field calculations, supplemented with multiconfigurational quasi-degenerate perturbation theory ab initio calculations with the aug-cc-pVTZ basis set, demonstrate that the [E(μ-XH)]2 (E = P, As; X = N, P, As) compounds possess one planar and one butterfly-like isomer. The calculations predict that for X = N, planar isomers, which bear substantial biradicaloid character, are more stable than their butterfly-like counterpart isomers, which feature closed-shell electronic structures. This has been ascribed to the fact that the increased bond angle strain at E-N-E is not compensated by the E-E σ (deformed) bond formation in the butterfly-like isomers, yielding the planar structures, which hold wider E-N-E bond angles, as the most stable isomers. As N is substituted by heavier atoms, either P or As, the E-P(As)-E bond angle strain is released and, additionally, as the formed E-E σ-bond is less deformed, the butterfly isomer becomes the most stable isomer. Subsequent evaluation of the normalized Giambiagi multicenter electron delocalization indices revealed no sign of electron delocalization in the four-membered rings and consequently, it is concluded that aromaticity does not play any role in the stabilization of the planar isomers.

  9. 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.

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

    CERN Document Server

    Skomorowski, Wojciech

    2010-01-01

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

  11. 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.

  12. Atom probe tomography study of GaMnN thin films

    Energy Technology Data Exchange (ETDEWEB)

    Nicholas, Robert; Kane, Matthew [School of Electrical and Computer Engineering, University of Oklahoma, 110 W Boyd St Rm 150, Norman, OK 73019 (United States); Diercks, David [Center for Advanced Research and Technology, University of North Texas, Denton, TX 76203 (United States)

    2012-03-15

    Determining the nanoscale atomic distribution of transition metals is essential for understanding the magnetic behavior of III-nitride semiconductors. Atom probe tomography is a characterization technique that can provide direct physical detection of the location of atoms and thus is ideal for investigating nanoscale atomic ordering in these materials. This work presents a study of GaMnN thin films grown bymetalorganic chemical vapor deposition that are characterized utilizing the state of the art local electrode atom probe (LEAP trademark) to determine the atomic ordering of Mn in an effort to help understand the nanoclustering behaviour which leads to observed room-temperature ferromagnetic behaviour in GaMnN. The distribution of Mn on the atomic scale was found to be random in nature in the bulk of the thin film where the analysis was performed with no evidence for the predisposition of Mn to form dimers, trimers or clusters. Other sources of clustering must lead to the room-temperature ferromagnetic behaviour that has been observed in these samples, such as surface segregation of Mn during the growth process. This work proves consistent with prior magnetic analysis in that most atoms in the crystal are isolated Mn atoms which result in a paramagnetic signal. This work is a first step towards the ultimate goal of understanding the structure-property-growth condition relationships for the tailoring of specific MOCVD processes in nitride semiconductors. (copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  13. 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.

  14. Neutron excitations across the N=50 shell gap in sup 1 sup 0 sup 2 In

    CERN Document Server

    Sohler, D; Dombrádi, Z; Blomqvist, J M; Fahlander, C; Norlin, O L; Nyberg, J; Baeck, T; Lagergren, K; Rudolph, D; Algora, A; Andreoiu, C; De Angelis, G; Atac, A; Bazzacco, D; Cederkäll, J; Cederwall, Bo; Fant, B; Farnea, E; Gadea, A; aGórska, M; Grawe, H; Hashimito-Saitoh, N; Johnson, A; Kérek, A; Klamra, W; Kownacki, J P; Lenzi, S M; Likar, A; Lipoglavsek, M; Moszynski, M; Napoli, D R; Rossi-Alvarez, C; Roth, H A; Saitoh, T R; Seweryniak, D; Skeppstedt, Ö; Timar, J; Weiszflog, J M; Wolinska, J M

    2002-01-01

    The structure of sup 1 sup 0 sup 2 In has been investigated by in-beam gamma-spectroscopic methods. Knowledge on the excited states of this nucleus has significantly been extended. Three cascades of transitions were observed to exceed the spin-energy domain spanned by the pi g sub 9 sub / sub 2 sup - sup 1 nu(d sub 5 sub / sub 2 ,g sub 7 sub / sub 2) sup 3 configurations. The new high spin states at approx 4 MeV excitation energy could be assigned to the pi g sub 9 sub / sub 2 sup - sup 1 nu(d sub 5 sub / sub 2 ,g sub 7 sub / sub 2) sup 2 h sub 1 sub 1 sub / sub 2 configuration, while at least those at 4.733, 5.192 and 5.853 MeV most likely arise from the nu g sub 9 sub / sub 2-> nu d sub 5 sub / sub 2 ,g sub 7 sub / sub 2 one-particle-one-hole excitation across the N=50 shell closure.

  15. 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.

  16. Laser Production of Soft X-Rays by Multiquantum Processes and the Excitation of Atomic Inner-Shell States

    Science.gov (United States)

    1989-07-06

    reflecting microscope objective (Ealing 25-0506) onto either a CCD camera or a linear photodiode array ( Reticon 512G), the latter having a 25 Pm square...Interestingly, in related studies24 of fragmenta- compared to molecular nuclear motions, the internuclear tion of N2 conducted at a wavelength of -600 nm, pro...with the observed N 2+ energy ( - 13 eV) in nuclear motion in the formation of N 2 + can be used to the soft-x-ray studies2 stemming, in that case, from

  17. 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

  18. 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. ...

  19. 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)

  20. 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...

  1. 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.

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

    Science.gov (United States)

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

    2011-05-01

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

  3. Isotope effects on the charge transfer into the n=1, 2, and 3 shells of He2+ in collisions with H, D, and T

    NARCIS (Netherlands)

    Stolterfoht, N.; Cabrera-Trujillo, R.; Krstic, P. S.; Hoekstra, R.; Oehrn, Y.; Deumens, E.; Sabin, J. R.

    2010-01-01

    Processes for charge transfer into He2+ colliding with the atomic isotopes hydrogen (H), deuterium (D), and tritium (T) are theoretically studied at collision energies as low as 30 eV/amu. Probabilities and cross sections for electron capture into different shells of the projectile are calculated us

  4. 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.

  5. Measurement of excited states in 40Si and evidence for weakening of the N=28 shell gap

    CERN Document Server

    Campbell, C M; Bazin, D; Bowen, M D; Brown, B A; Cook, J M; Dinca, D C; Gade, A; Glasmacher, T; Horoi, M; Kanno, S; Motobayashi, T; Müller, W F; Sakuraï, H; Starosta, K; Suzuki, H; Takeuchi, S; Terry, J R; Yoneda, K; Zwahlen, H

    2006-01-01

    Excited states in 40Si have been established by detecting gamma-rays coincident with inelastic scattering and nucleon removal reactions on a liquid hydrogen target. The low excitation energy, 986(5) keV, of the 2+[1] state provides evidence of a weakening in the N=28 shell closure in a neutron-rich nucleus devoid of deformation-driving proton collectivity.

  6. Study of Charge Transport in Vertically Aligned Nitride Nanowire Based Core Shell P-I-N Junctions

    Science.gov (United States)

    2016-07-01

    Vertically- Aligned Nitride Nanowire Based Core Shell P-I-N Junctions Distribution Statement A. Approved for public release; distribution is...structures and further refinement of the design, 2) development of growth expertise for control of defects, dopants, and morphology in both thin films and...shape and morphology , (b) defect free smooth surface of the etched side-walls and base plane, (c) ability to tailor profiles for specific designs, and

  7. 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.

  8. 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.

  9. 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.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-05-01

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

  11. 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

  12. N=4 Twisted Superspace from Dirac-Kahler Twist and Off-shell SUSY Invariant Actions in Four Dimensions

    CERN Document Server

    Kato, J; Miyake, A; Kato, Junji; Kawamoto, Noboru; Miyake, Akiko

    2005-01-01

    We propose N=4 twisted superspace formalism in four dimensions by introducing Dirac-Kahler twist. In addition to the BRST charge as a scalar counter part of twisted supercharge we find vector and tensor twisted supercharges. By introducing twisted chiral superfield we explicitly construct off-shell twisted N=4 SUSY invariant action. We can propose variety of supergauge invariant actions by introducing twisted vector superfield. We may, however, need to find further constraints to identify twisted N=4 super Yang-Mills action. We propose a superconnection formalism of twisted superspace where constraints play a crucial role. It turns out that N=4 superalgebra of Dirac-Kahler twist can be decomposed into N=2 sectors. We can then construct twisted N=2 super Yang-Mills actions by the superconnection formalism of twisted superspace in two and four dimensions.

  13. 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.

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

    Energy Technology Data Exchange (ETDEWEB)

    Schimpke, Tilman [Osram Opto Semiconductors GmbH, Regensburg (Germany); Walter Schottky Institut, Technische Universitaet Muenchen, Garching (Germany); Mandl, Martin; Lugauer, Hans-Juergen; Strassburg, Martin [Osram Opto Semiconductors GmbH, Regensburg (Germany); Schuster, Fabian; Koblmueller, Gregor; Stutzmann, Martin [Walter Schottky Institut, Technische Universitaet Muenchen, Garching (Germany); Furthmeier, Stephan; Bougeard, Dominique; Reiger, Elisabeth; Korn, Tobias; Schueller, Christian [Institut fuer Exp. und Angew. Physik, Universitaet Regensburg (Germany)

    2013-07-01

    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.

  15. Cost-effective and eco-friendly synthesis of novel and stable N-doped ZnO/g-C3N4 core-shell nanoplates with excellent visible-light responsive photocatalysis.

    Science.gov (United States)

    Kumar, Santosh; Baruah, Arabinda; Tonda, Surendar; Kumar, Bharat; Shanker, Vishnu; Sreedhar, B

    2014-05-07

    N-doped ZnO/g-C3N4 hybrid core-shell nanoplates have been successfully prepared via a facile, cost-effective and eco-friendly ultrasonic dispersion method for the first time. HRTEM studies confirm the formation of the N-doped ZnO/g-C3N4 hybrid core-shell nanoplates with an average diameter of 50 nm and the g-C3N4 shell thickness can be tuned by varying the content of loaded g-C3N4. The direct contact of the N-doped ZnO surface and g-C3N4 shell without any adhesive interlayer introduced a new carbon energy level in the N-doped ZnO band gap and thereby effectively lowered the band gap energy. Consequently, the as-prepared hybrid core-shell nanoplates showed a greatly enhanced visible-light photocatalysis for the degradation of Rhodamine B compare to that of pure N-doped ZnO surface and g-C3N4. Based on the experimental results, a proposed mechanism for the N-doped ZnO/g-C3N4 photocatalyst was discussed. Interestingly, the hybrid core-shell nanoplates possess high photostability. The improved photocatalytic performance is due to a synergistic effect at the interface of the N-doped ZnO and g-C3N4 including large surface-exposure area, energy band structure and enhanced charge-separation properties. Significantly, the enhanced performance also demonstrates the importance of evaluating new core-shell composite photocatalysts with g-C3N4 as shell material.

  16. Renormalization of the isovector /πN amplitude in pionic atoms

    Science.gov (United States)

    Friedman, E.; Gal, A.

    2003-08-01

    The extraction of the isovector s-wave πN amplitude from pionic atoms is studied with special emphasis on uncertainties and their dependence on the assumptions made regarding the neutron density distributions in nuclei and on the size of the data base used. Only 'global' analyses of pionic-atom data reveal a discrepancy between the extracted isovector s-wave πN amplitude b1=(-0.108±0.007) mπ-1 and its free πN counterpart b 1free=-0.0885 +0.0010-0.0021 m π-1, where the uncertainty in the neutron densities is included in the error analysis. The role of 'deeply bound' pionic atom states is discussed and the reason for failure of these states to provide new information is explained.

  17. 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.

  18. 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.

  19. Facet recovery and light emission from GaN/InGaN/GaN core-shell structures grown by metal organic vapour phase epitaxy on etched GaN nanorod arrays

    Science.gov (United States)

    Le Boulbar, E. D.; Gîrgel, I.; Lewins, C. J.; Edwards, P. R.; Martin, R. W.; Šatka, A.; Allsopp, D. W. E.; Shields, P. A.

    2013-09-01

    The use of etched nanorods from a planar template as a growth scaffold for a highly regular GaN/InGaN/GaN core-shell structure is demonstrated. The recovery of m-plane non-polar facets from etched high-aspect-ratio GaN nanorods is studied with and without the introduction of a hydrogen silsesquioxane passivation layer at the bottom of the etched nanorod arrays. This layer successfully prevented c-plane growth between the nanorods, resulting in vertical nanorod sidewalls (˜89.8°) and a more regular height distribution than re-growth on unpassivated nanorods. The height variation on passivated nanorods is solely determined by the uniformity of nanorod diameter, which degrades with increased growth duration. Facet-dependent indium incorporation of GaN/InGaN/GaN core-shell layers regrown onto the etched nanorods is observed by high-resolution cathodoluminescence imaging. Sharp features corresponding to diffracted wave-guide modes in angle-resolved photoluminescence measurements are evidence of the uniformity of the full core-shell structure grown on ordered etched nanorods.

  20. Axially connected nanowire core-shell p-n junctions: a composite structure for high-efficiency solar cells.

    Science.gov (United States)

    Wang, Sijia; Yan, Xin; Zhang, Xia; Li, Junshuai; Ren, Xiaomin

    2015-01-01

    A composite nanostructure for high-efficiency solar cells that axially connects nanowire core-shell p-n junctions is proposed. By axially connecting the p-n junctions in one nanowire, the solar spectrum is separated and absorbed in the top and bottom cells with respect to the wavelength. The unique structure of nanowire p-n junctions enables substantial light absorption along the nanowire and efficient radial carrier separation and collection. A coupled three-dimensional optoelectronic simulation is used to evaluate the performance of the structure. With an excellent current matching, a promising efficiency of 19.9% can be achieved at a low filling ratio of 0.283 (the density of the nanowire array), which is much higher than the tandem axial p-n junctions.

  1. 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.

  2. 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.

  3. Atom probe tomography and transmission electron microscopy of a Mg-doped AlGaN/GaN superlattice

    Energy Technology Data Exchange (ETDEWEB)

    Bennett, S.E., E-mail: sb534@cam.ac.uk [Department of Materials Science and Metallurgy, University of Cambridge, Pembroke Street, Cambridge CB2 3QZ (United Kingdom); Ulfig, R.M.; Clifton, P.H. [Imago Scientific Instruments Corporation, 5500 Nobel Drive, Madison, WI 53711 (United States); Kappers, M.J.; Barnard, J.S.; Humphreys, C.J.; Oliver, R.A. [Department of Materials Science and Metallurgy, University of Cambridge, Pembroke Street, Cambridge CB2 3QZ (United Kingdom)

    2011-02-15

    The electronic characteristics of semiconductor-based devices are greatly affected by the local dopant atom distribution. In Mg-doped GaN, the clustering of dopants at structural defects has been widely reported, and can significantly affect p-type conductivity. We have studied a Mg-doped AlGaN/GaN superlattice using transmission electron microscopy (TEM) and atom probe tomography (APT). Pyramidal inversion domains were observed in the TEM and the compositional variations of the dopant atoms associated with those defects have been studied using APT. Rarely has APT been used to assess the compositional variations present due to structural defects in semiconductors. Here, TEM and APT are used in a complementary fashion, and the strengths and weaknesses of the two techniques are compared. -- Research Highlights: {yields} Mg-rich regions of approximately 5 nm in size were revealed in Mg-doped AlGaN/GaN superlattices using atom probe tomography (APT). {yields} Transmission electron microscopy (TEM) of the superlattice sample showed pyramidal inversion domains, concluded to be the same Mg-rich features observed by APT. {yields} The information gained from both the 3D APT study and the 2D TEM characterisation was then compared to determine the strengths and weaknesses of each technique in analysing nanoscale features in nitride materials.

  4. 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.

  5. Type II shell evolution in A = 70 isobars from the N ≥ 40 island of inversion

    Science.gov (United States)

    Morales, A. I.; Benzoni, G.; Watanabe, H.; Tsunoda, Y.; Otsuka, T.; Nishimura, S.; Browne, F.; Daido, R.; Doornenbal, P.; Fang, Y.; Lorusso, G.; Patel, Z.; Rice, S.; Sinclair, L.; Söderström, P.-A.; Sumikama, T.; Wu, J.; Xu, Z. Y.; Yagi, A.; Yokoyama, R.; Baba, H.; Avigo, R.; Bello Garrote, F. L.; Blasi, N.; Bracco, A.; Camera, F.; Ceruti, S.; Crespi, F. C. L.; de Angelis, G.; Delattre, M.-C.; Dombradi, Zs.; Gottardo, A.; Isobe, T.; Kojouharov, I.; Kurz, N.; Kuti, I.; Matsui, K.; Melon, B.; Mengoni, D.; Miyazaki, T.; Modamio-Hoybjor, V.; Momiyama, S.; Napoli, D. R.; Niikura, M.; Orlandi, R.; Sakurai, H.; Sahin, E.; Sohler, D.; Schaffner, H.; Taniuchi, R.; Taprogge, J.; Vajta, Zs.; Valiente-Dobón, J. J.; Wieland, O.; Yalcinkaya, M.

    2017-02-01

    The level structures of 70Co and 70Ni, populated from the β decay of 70Fe, have been investigated using β-delayed γ-ray spectroscopy following in-flight fission of a 238U beam. The experimental results are compared to Monte-Carlo Shell-Model calculations including the pf +g9/2 +d5/2 orbitals. The strong population of a (1+) state at 274 keV in 70Co is at variance with the expected excitation energy of ∼1 MeV from near spherical single-particle estimates. This observation indicates a dominance of prolate-deformed intruder configurations in the low-lying levels, which coexist with the normal near spherical states. It is shown that the β decay of the neutron-rich A = 70 isobars from the new island of inversion to the Z = 28 closed-shell regime progresses in accordance with a newly reported type of shell evolution, the so-called Type II, which involves many particle-hole excitations across energy gaps.

  6. 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.

  7. Shell evolution above Z ,N =50 within Skyrme density functional theory: The impact of deformation and tensor interactions

    Science.gov (United States)

    Shi, Yue

    2017-03-01

    Background: Recent years have seen considerable effort in associating the shell evolution (SE) for a chain of isotones or isotopes with the underlying nuclear interactions. In particular, it has been fairly well established that the tensor part of the Skyrme interaction is indispensable for understanding certain SE above Z ,N =50 shell closures, as a function of nucleon numbers. Purpose: The purpose of the present work is twofold: (1) to study the effect of deformation due to blocking on the SE above Z ,N =50 shell closures and (2) to examine the optimal parametrizations in the tensor part which gives a proper description of the SE above Z ,N =50 shell closures. Methods: I use the Skyrme-Hartree-Fock-Bogoliubov (SHFB) method to compute the even-even vacua of the Z =50 isotopes and N =50 isotones. For Sb and odd-A Sn isotopes, I perform calculations with a blocking procedure which accounts for the polarization effects, including deformations. Results: The blocking SHFB calculations show that the light odd-A Sb isotopes, with only one valence proton occupying down-sloping Ω =11 /2- and Ω =7 /2+ Nilsson orbits, assume finite oblate deformations. This reduces the energy differences between 11 /2- and 7 /2+ states by about 500 keV for 51Sb56 -66 , bringing the energy-difference curve closer to the experimental one. With une2t1 energy density functional (EDF), which differs from unedf2 parametrization by tensor terms, a better description of the slope of Δ e (π 1 h11 /2-π 1 g7 /2) as a function of neutron number has been obtained. However, the trend of Δ e (π 1 g7 /2-π 2 d5 /2) curve is worse using une2t1 EDF. Δ e (ν 3 s1 /2-ν 2 d5 /2) and Δ e (ν 1 g7 /2-ν 2 d5 /2) curve for N =50 isotones using une2t1 seems to be consistent with experimental data. The neutron SE of Δ e (ν 1 h11 /2-ν 1 g7 /2) and Δ e (ν 1 g7 /2-ν 2 d5 /2) for Sn isotopes are shown to be sensive to αT tensor parameter. Conclusions: Within the Skyrme self-consistent mean-field model

  8. Tailoring the morphology and luminescence of GaN/InGaN core-shell nanowires using bottom-up selective-area epitaxy

    Science.gov (United States)

    Nami, Mohsen; Eller, Rhett F.; Okur, Serdal; Rishinaramangalam, Ashwin K.; Liu, Sheng; Brener, Igal; Feezell, Daniel F.

    2017-01-01

    Controlled bottom-up selective-area epitaxy (SAE) is used to tailor the morphology and photoluminescence properties of GaN/InGaN core-shell nanowire arrays. The nanowires are grown on c-plane sapphire substrates using pulsed-mode metal organic chemical vapor deposition. By varying the dielectric mask configuration and growth conditions, we achieve GaN nanowire cores with diameters ranging from 80 to 700 nm that exhibit various degrees of polar, semipolar, and nonpolar faceting. A single InGaN quantum well (QW) and GaN barrier shell is also grown on the GaN nanowire cores and micro-photoluminescence is obtained and analyzed for a variety of nanowire dimensions, array pitch spacings, and aperture diameters. By increasing the nanowire pitch spacing on the same growth wafer, the emission wavelength redshifts from 440 to 520 nm, while increasing the aperture diameter results in a ˜35 nm blueshift. The thickness of one QW/barrier period as a function of pitch and aperture diameter is inferred using scanning electron microscopy, with larger pitches showing significantly thicker QWs. Significant increases in indium composition were predicted for larger pitches and smaller aperture diameters. The results are interpreted in terms of local growth conditions and adatom capture radius around the nanowires. This work provides significant insight into the effects of mask configuration and growth conditions on the nanowire properties and is applicable to the engineering of monolithic multi-color nanowire LEDs on a single chip.

  9. STM observation of the chemical reaction of atomic hydrogen on the N-adsorbed Cu(001) surface

    Science.gov (United States)

    Hattori, Takuma; Yamada, Masamichi; Komori, Fumio

    2017-01-01

    Chemical reaction of atomic hydrogen with the N-adsorbed Cu(001) surfaces was investigated at room temperature by scanning tunnel microscopy. At the low exposure of atomic hydrogen, it reacted with the N atoms and turned to be the NH species on the surface. The reaction rate is proportional to the amount of the unreacted N atoms. By increasing the exposure of atomic hydrogen from this condition, the amount of nitrogen species on the surface decreased. This is attributed to the formation of ammonia and its desorption from the surface. The NH species on the surface turn to NH3 through the surface NH2 species by atomic hydrogen. Coexistence of the clean Cu surface enhances the rate of ammonia formation owing to atomic hydrogen migrating on the clean surface.

  10. Feasible Scheme for Teleportation of an Arbitrary N-Atom State with Thermal Cavity

    Institute of Scientific and Technical Information of China (English)

    TAN Xiao-Hui; FANG Xi-Ming; WANG Guo-You

    2007-01-01

    We present a scheme for teleportation of an arbitrary N-atom state without Bell state measurement in thermal cavity QED, and show the feasibility in experiment. Our scheme is also insensitive to both cavity decay and thermal field, and the fidelity of teleportation is only slightly affected by the experimental errors. In addition,the success probability reaches 1.0.

  11. Structural and Theoretical Evidence of the Depleted Proton Affinity of the N3-Atom in Acyclovir

    Directory of Open Access Journals (Sweden)

    Esther Vílchez-Rodríguez

    2016-10-01

    Full Text Available The hydronium salt (H3O2[Cu(N7–acv2(H2O2(SO42]·2H2O (1, acv = acyclovir has been synthesized and characterized by single-crystal X-ray diffraction and spectral methods. Solvated Cu(OH2 is a by-product of the synthesis. In the all-trans centrosymmetric complex anion, (a the Cu(II atom exhibits an elongated octahedral coordination; (b the metal-binding pattern of acyclovir (acv consists of a Cu–N7(acv bond plus an (aquaO–H···O6(acv interligand interaction; and (c trans-apical/distal sites are occupied by monodentate O-sulfate donor anions. Neutral acyclovir and aqua-proximal ligands occupy the basal positions, stabilizing the metal binding pattern of acv. Each hydronium(1+ ion builds three H-bonds with O–sulfate, O6(acv, and O–alcohol(acv from three neighboring complex anions. No O atoms of solvent water molecules are involved as acceptors. Theoretical calculations of molecular electrostatic potential surfaces and atomic charges also support that the O-alcohol of the N9(acv side chain is a better H-acceptor than the N3 or the O-ether atoms of acv.

  12. Sub-natural $N$-type Resonance in Cesium Atomic Vapor: splitting in magnetic fields

    CERN Document Server

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

    2013-01-01

    The sub-natural-width $N$-type resonance in {\\Lambda}-system, on the $D_2$ line of Cs atoms is studied for the first time in the presence of a buffer gas (neon) and the radiations of two continuous narrow band diode lasers. $L$ = 1 cm long cell is used to investigate $N$-type process. The $N$-type resonance in a magnetic field for $^{133}$Cs atoms is shown to split into seven or eight components, depending on the magnetic field and laser radiation directions. The results obtained indicate that levels $F_g$ = 3, 4 are initial and final in the N resonance formation. The experimental results with magnetic field agree well with the theoretical curves.

  13. Remnants of spherical shell structures in deformed nuclei: The impact of an N=64 neutron subshell closure on the structure of N~90 gadolinium nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Ross, T.J. [University of Richmond; Hughes, R.O. [University of Richmond; Beausang, C.W. [University of Richmond; Allmond, James M [ORNL; Angell, C.T. [Lawrence Berkeley National Laboratory (LBNL); Basunia, M.S. [Lawrence Berkeley National Laboratory (LBNL); Bleuel, D.L. [Lawrence Livermore National Laboratory (LLNL); Burke, J.T. [Lawrence Livermore National Laboratory (LLNL); Casperson, R.J. [Lawrence Livermore National Laboratory (LLNL); Escher, J.E. [Lawrence Livermore National Laboratory (LLNL); Fallon, P. [Lawrence Berkeley National Laboratory (LBNL); Hatarik, R. [Lawrence Berkeley National Laboratory (LBNL); Munson, J. [Lawrence Berkeley National Laboratory (LBNL); Paschalis, S. [Lawrence Berkeley National Laboratory (LBNL); Petri, M. [Lawrence Berkeley National Laboratory (LBNL); Phair, L. [Lawrence Berkeley National Laboratory (LBNL); Ressler, J.J. [Lawrence Livermore National Laboratory (LLNL); Scielzo, N.D. [Lawrence Livermore National Laboratory (LLNL)

    2013-01-01

    Odd-mass gadolinium isotopes around N = 90 were populated by the (p,d ) reaction, utilizing 25-MeV protons, resulting in population of low-spin quasineutron states at energies near and below the Fermi surface. Systematics of the single quasineutron levels populated are presented. A large excitation energy gap is observed between levels originating from the 2d3/2 , 1h11/2 , and 3s1/2 spherical parents (above the N = 64 gap), and the 2d5/2 (below the gap), indicating that the spherical shell model level spacing is maintained at least to moderate deformations.

  14. 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.

  15. Lamb shift of $n = 1$ and $n = 2$ states of hydrogenlike atoms, $1 \\le Z \\le 110$

    CERN Document Server

    Yerokhin, V A

    2015-01-01

    Theoretical energy levels of the $n = 1$ and $n = 2$ states of hydrogenlike atoms with the nuclear charge numbers $1 \\le Z \\le 110$ are tabulated. The tabulation is based on ab initio quantum electrodynamical calculations performed to all orders in the nuclear binding strength parameter $Z\\alpha$, where $\\alpha$ is the fine structure constant. Theoretical errors due to various effects are critically examined and estimated.

  16. Evolution of the Ar isotopic chain: the N=28 shell gap south of {sup 48}Ca

    Energy Technology Data Exchange (ETDEWEB)

    Mengoni, D., E-mail: Daniele.Mengoni@uws.ac.u [Dipartimento di Fisica dell' Universita and INFN Sezione di Padova, Padova (Italy); Valiente-Dobon, J.J. [Istituto Nazionale di Fisica Nucleare, Laboratori Nazionali di Legnaro, Legnaro (Italy); Gadea, A. [Instituto de Fisica Corpuscular, CSIC-Universidad de Valencia (Spain); Lenzi, S.M.; Lunardi, S. [Dipartimento di Fisica dell' Universita and INFN Sezione di Padova, Padova (Italy); Broda, R. [Institute of Nuclear Physics, Polish Academy of Sciences, Cracow (Poland); Dewald, A.; Pissulla, T. [Institut fuer Kernphysik der Universtaet zu Koeln, Koeln (Germany); Angus, L. [School of Engineering and Science, University of Paisley, Paisley, Scotland (United Kingdom); Aydin, S.; Bazzacco, D. [Istituto Nazionale di Fisica Nucleare, Sezione di Padova, Padova (Italy); Benzoni, G. [Istituto Nazionale di Fisica Nucleare, Sezione di Milano, Milano (Italy); Bizzeti, P.G.; Bizzeti-Sona, A.M. [Dipartimento di Fisica dell' Universita and INFN Sezione di Firenze, Firenze (Italy); Corradi, L. [Istituto Nazionale di Fisica Nucleare, Laboratori Nazionali di Legnaro, Legnaro (Italy); Crespi, F. [Istituto Nazionale di Fisica Nucleare, Sezione di Milano, Milano (Italy); Angelis, G. de [Istituto Nazionale di Fisica Nucleare, Laboratori Nazionali di Legnaro, Legnaro (Italy); Farnea, E. [Istituto Nazionale di Fisica Nucleare, Sezione di Padova, Padova (Italy); Fioretto, E. [Istituto Nazionale di Fisica Nucleare, Laboratori Nazionali di Legnaro, Legnaro (Italy); Goergen, A. [CEA Saclay, Daphnia/SphN, Gif-sur-Yvette Cedex (France)

    2010-03-01

    The lifetimes of the first excited states of the Z = 18 {sup 44}Ar and {sup 46}Ar isotopes have been determined using a novel technique that combines the Recoil Distance Doppler Shift method with the CLARA-PRISMA spectrometers for Multinucleon Transfer Reactions. The B(E2) values extracted for the 2{sup +}->0{sup +} transitions in both nuclei, as well as for higher excites states in {sup 44}Ar, are discussed and compared with the available experimental results and with the new large-scale shell-model calculations.

  17. 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.

  18. State-to-state kinetics and transport properties of electronically excited N and O atoms

    Science.gov (United States)

    Istomin, V. A.; Kustova, E. V.

    2016-11-01

    A theoretical model of transport properties in electronically excited atomic gases in the state-to-state approach is developed. Different models for the collision diameters of atoms in excited states are discussed, and it is shown that the Slater-like models can be applied for the state-resolved transport coefficient calculations. The influence of collision diameters of N and O atoms with electronic degrees of freedom on the transport properties is evaluated. Different distributions on the electronic energy are considered for the calculation of transport coefficients. For the Boltzmann-like distributions at temperatures greater than 15000 K, an important effect of electronic excitation on the thermal conductivity and viscosity coefficients is found; the coefficients decrease significantly when many electronic states are taken into account. It is shown that under hypersonic reentry conditions the impact of collision diameters on the transport properties is not really important since the populations of high levels behind the shock waves are low.

  19. Kaonic atoms and in-medium K-N amplitudes II: Interplay between theory and phenomenology

    Science.gov (United States)

    Friedman, E.; Gal, A.

    2013-02-01

    A microscopic kaonic-atom optical potential VK-(1) is constructed, using the Ikeda-Hyodo-Weise NLO chiral K-N subthreshold scattering amplitudes constrained by the kaonic hydrogen SIDDHARTA measurement, and incorporating Pauli correlations within the Waas-Rho-Weise generalization of the Ericson-Ericson multiple-scattering approach. Good fits to kaonic atom data over the entire periodic table require additionally sizable K-NN-motivated absorptive and dispersive phenomenological terms, in agreement with our former analysis based on a post-SIDDHARTA in-medium chirally-inspired NLO separable model by Cieplý and Smejkal. Such terms are included by introducing a phenomenological potential VK-(2) and coupling it self-consistently to VK-(1). Properties of resulting kaonic atom potentials are discussed with special attention paid to the role of K--nuclear absorption and to the extraction of density-dependent amplitudes representing K- multi-nucleon processes.

  20. 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.

  1. A Feasibility Study of UV Laser Assisted 3D-Atom Probe Analysis of AlGaN/GaN HEMTs

    Science.gov (United States)

    2013-03-05

    Final Report for AOARD Grant-FA2386-11-1-4031 “A feasibility study of UV laser assisted 3D-atom probe analysis of AlGaN/ GaN HEMTs ” March 5...20-06-2011 to 19-06-2012 4. TITLE AND SUBTITLE A feasibility study of UV laser assisted 3D-atom probe analysis of AlGaN/ GaN HEMTs 5a. CONTRACT...gate region (gate metal, interfacial layer and defects, and AlGaN/ GaN epilayers) of an AFRL HEMT using laser assisted 3-D atom probe (3DAP

  2. Intersubband optical absorption between multi energy levels of electrons in InGaN/GaN spherical core-shell quantum dots

    Science.gov (United States)

    Liu, W. H.; Qu, Y.; Ban, S. L.

    2017-02-01

    The intersubband optical absorption between multi energy levels of electrons in InxGa1-xN/GaN spherical core-shell quantum dots (CSQDs) and ternary mixed crystal and size effects have been investigated by using the principle of density matrix. Electronic eigenstates under the effect of built-in electric field (BEF) have been calculated by a finite element method. The results show that optical absorption between intersubbands with main quantum numbers n = 1 and n = 2 are as important as that between ones with n = 1 and different angular quantum numbers when the BEF is taken into account. In consideration of BEF, the saturation of total optical absorption coefficients (ACs) and secondary peaks of refractive index changes (RICs) appear when incident light intensity I surpasses a certain value. For a given I, the maximum ACs and zero RICs positions in InxGa1-xN/GaN CSQDs with a fixed shell size have a blue-shift when x increases or the core InxGa1-xN radius R1 decreases from 5 nm. However, when R1 > 5 nm, ACs and RICs tend to be stable. The results indicate that effective adjustment of ACs and RICs in CSQDs with BEFs by size is in a limited scale range. The saturation of ACs or secondary peaks of RICs appear more likely in CSQDs with smaller x or larger R1. These results are expected to be helpful both in the further theoretical and experimental study on optic devices consisting of CSQDs.

  3. 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.

  4. Shell Evolution Study for New Magic Number N=32 via Iso chronous Mass Sp ectrometry

    Institute of Scientific and Technical Information of China (English)

    徐星; 付超义; 葛壮; 黄文嘉; 蓝乙华; 李宏福; 刘俊豪; 孙铭泽; 邢元明; 颜鑫亮; 曾奇; 王猛; 张鹏; 肖国青; 詹文龙; 张玉虎; 帅鹏; 徐瑚珊; 涂小林; 周小红; 陈瑞九; 陈相成

    2016-01-01

    Recent results and progress of mass measurements of neutron-rich nuclei utilizing Isochronous Mass Spectrometry (IMS) based on the HIRFL-CSR complex at Lanzhou are reported. The nuclei of interest were produced through projectile fragmentation of primary 86Kr ions at a realistic energy of 460.65 MeV/u. After in-flight separation by the fragment separator RIBLL2, the fragments were injected and stored in the experimental storage ring CSRe, and their masses were determined from measurements of their revolution times. The re-determined masses were compared and evaluated with other mass measurements, and the impact of these evaluated masses on the shell evolution study is discussed.

  5. 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.

  6. Three-dimensional mapping of quantum wells in a GaN/InGaN core-shell nanowire light-emitting diode array.

    Science.gov (United States)

    Riley, James R; Padalkar, Sonal; Li, Qiming; Lu, Ping; Koleske, Daniel D; Wierer, Jonathan J; Wang, George T; Lauhon, Lincoln J

    2013-09-11

    Correlated atom probe tomography, cross-sectional scanning transmission electron microscopy, and cathodoluminescence spectroscopy are used to analyze InGaN/GaN multiquantum wells (QWs) in nanowire array light-emitting diodes (LEDs). Tomographic analysis of the In distribution, interface morphology, and dopant clustering reveals material quality comparable to that of planar LED QWs. The position-dependent CL emission wavelength of the nonpolar side-facet QWs and semipolar top QWs is correlated with In composition.

  7. 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.

  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. Testing in-medium πN dynamics on pionic atoms

    Science.gov (United States)

    Friedman, E.; Gal, A.

    2014-08-01

    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 πN 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 πN threshold isovector amplitude b1, or equivalently the renormalization of the pion decay constant fπ in the nuclear medium.

  10. Effects of ternary mixed crystal and size on intersubband optical absorption in wurtzite InGaN/GaN core-shell nanowires

    Science.gov (United States)

    Liu, W. H.; Yang, S.; Feng, H. M.; Yang, L.; Qu, Y.; Ban, S. L.

    2015-07-01

    Based on the density matrix approach, the effects of ternary mixed crystal and size on intersubband optical absorption coefficients in InxGa1-xN/GaN core-shell nanowires (CSNWs) are investigated. The results show that the optical absorption can be modulated by In component x and the size of CSNWs, since the variation of electron states in these systems. It is found that photonic frequencies of resonant absorption and the absorption coefficient increase obviously when x increases or the radius of InGaN core reduces, while the half-width of the coefficient decreases as its peak becomes higher and sharper. A saturation phenomenon of optical absorption is also found when the incident light intensity exceeds a certain value. The theoretical results are expected to be helpful to develop CSNW optic devices.

  11. Peanut-Shell-like Porous Carbon from Nitrogen-Containing Poly-N-phenylethanolamine for High-Performance Supercapacitor.

    Science.gov (United States)

    Wei, Xianjun; Wan, Suige; Jiang, Xiaoqiang; Wang, Zhe; Gao, Shuyan

    2015-10-14

    An efficient soft-template method is proposed for the synthesis of peanut shell-like porous carbon as high-performance supercapacitor electrode materials. The procedure is based on the pyrolysis and chemical activation processes using N-phenylethanolamine as precursor and KOH as activation agent. In a three-electrode system, the resultant carbon material has a specific capacitance of 356 F g(-1) at 1 A g(-1) and a good stability over 1000 cycles. Besides, at a high current density of 30 A g(-1), it has a specific capacitance of 249 F g(-1) and maintains 96% after 10,000 cycles. In two-electrode cell configuration, it delivers about 21.53 Wh kg(-1) at a current density of 20 A g(-1), which is about 7 times higher than the commercial device (supercapacitors.

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

    Science.gov (United States)

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

    2014-05-01

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

  13. Formation of hollow atoms above a surface

    Science.gov (United States)

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

    2012-06-01

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

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

    Science.gov (United States)

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

    2014-06-07

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

  15. 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.

  16. The effects of the N atom collective Lamb shift on single photon superradiance

    Energy Technology Data Exchange (ETDEWEB)

    Scully, Marlan O. [Institute for Quantum Studies and Department of Physics, Texas A and M University, College Station, TX 77843 (United States); Applied Physics and Materials Science Group, Engineering Quad, Princeton University, Princeton, NJ 08544 (United States); Svidzinsky, Anatoly A. [Institute for Quantum Studies and Department of Physics, Texas A and M University, College Station, TX 77843 (United States); Applied Physics and Materials Science Group, Engineering Quad, Princeton University, Princeton, NJ 08544 (United States)], E-mail: asvid@jewel.tamu.edu

    2009-03-23

    The problem of single photon collective spontaneous emission, a.k.a. superradiance, from N atoms prepared by a single photon pulse of wave vector k{sub 0} has been the subject of recent interest. It has been shown that a single photon absorbed uniformly by the N atoms will be followed by spontaneous emission in the same direction [M. Scully, E. Fry, C.H.R. Ooi, K. Wodkiewicz, Phys. Rev. Lett. 96 (2006) 010501; M. Scully, Laser Phys. 17 (2007) 635]; and in extensions of this work we have found a new kind of cavity QED in which the atomic cloud acts as a cavity containing the photon [A.A. Svidzinsky, J.T. Chang, M.O. Scully, Phys. Rev. Lett. 100 (2008) 160504]. In most of our studies, we have neglected virtual photon ('Lamb shift') contributions. However, in a recent interesting paper, Friedberg and Mannassah [R. Friedberg, J.T. Manassah, Phys. Lett. A 372 (2008) 2514] study the effect of virtual photons investigating ways in which such effects can modify the time dependence and angular distributions of collective single photon emission. In the present Letter, we show that such virtual transitions play no essential role in our problem. The conclusions of [M. Scully, E. Fry, C.H.R. Ooi, K. Wodkiewicz, Phys. Rev. Lett. 96 (2006) 010501; M. Scully, Laser Phys. 17 (2007) 635; A.A. Svidzinsky, J.T. Chang, M.O. Scully, Phys. Rev. Lett. 100 (2008) 160504] stand as published. However, the N atom Lamb shift is an interesting problem in its own right and we here extend previous work both analytically and numerically.

  17. 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.

  18. 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.

  19. Testing chiral dynamics in pionic atoms

    Science.gov (United States)

    Friedman, E.; Gal, A.

    2004-01-01

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

  20. Zeeman shift--a tool for assignment of 14N NQR lines of nonequivalent 14N atoms in powder samples.

    Science.gov (United States)

    Luznik, J; Jazbinsek, V; Pirnat, J; Seliger, J; Trontelj, Z

    2011-09-01

    The use of Zeeman perturbed 14N nuclear quadrupole resonance (NQR) to determine the ν+ and ν-14N lines in polycrystalline samples with several nonequivalent nitrogen atoms was investigated. The 14N NQR line shift due to a weak external Zeeman magnetic field was calculated, assuming isotropic distribution of EFG tensor directions. We calculated the broad line distribution of the ν+ and ν- line shifts and experimentally confirmed the calculated Zeeman field dependence of singularities (NQR peaks) in cyclotrimethylenetrinitramine (RDX) and aminotetrazole monohydrate (ATMH). The calculated and measured frequency shifts agreed well. The proposed measurement method enabled determination of which 14N NQR lines in ATMH belong to ν+ and which to ν- transitions.

  1. Design of Efficient Catalysts with Double Transition Metal Atoms on C2N Layer.

    Science.gov (United States)

    Li, Xiyu; Zhong, Wenhui; Cui, Peng; Li, Jun; Jiang, Jun

    2016-05-05

    Heterogeneous catalysis often involves molecular adsorptions to charged catalyst site and reactions triggered by catalyst charges. Here we use first-principles simulations to design oxygen reduction reaction (ORR) catalyst based on double transition metal (TM) atoms stably supported by 2D crystal C2N. It not only holds characters of low cost and high durability but also effectively accumulates surface polarization charges on TMs and later deliveries to adsorbed O2 molecule. The Co-Co, Ni-Ni, and Cu-Cu catalysts exhibit high adsorption energies and extremely low dissociation barriers for O2, as compared with their single-atom counterparts. Co-Co on C2N presents less than half the value of the reaction barrier of bulk Pt catalysts in the ORR rate-determining steps. These catalytic improvements are well explained by the dependences of charge polarization on various systems, which opens up a new strategy for optimizing TM catalytic performance with the least metal atoms on porous low-dimensional materials.

  2. Solar-energy conversion and light emission in an atomic monolayer p-n diode.

    Science.gov (United States)

    Pospischil, Andreas; Furchi, Marco M; Mueller, Thomas

    2014-04-01

    The limitations of the bulk semiconductors currently used in electronic devices-rigidity, heavy weight and high costs--have recently shifted the research efforts to two-dimensional atomic crystals such as graphene and atomically thin transition-metal dichalcogenides. These materials have the potential to be produced at low cost and in large areas, while maintaining high material quality. These properties, as well as their flexibility, make two-dimensional atomic crystals attractive for applications such as solar cells or display panels. The basic building blocks of optoelectronic devices are p-n junction diodes, but they have not yet been demonstrated in a two-dimensional material. Here, we report a p-n junction diode based on an electrostatically doped tungsten diselenide (WSe2) monolayer. We present applications as a photovoltaic solar cell, a photodiode and a light-emitting diode, and obtain light-power conversion and electroluminescence efficiencies of ∼ 0.5% and ∼ 0.1%, respectively. Given recent advances in the large-scale production of two-dimensional crystals, we expect them to profoundly impact future developments in solar, lighting and display technologies.

  3. Kinetics of N-Deacetylation of Chitin Extracted from Shrimp Shells Collected from Coastal Area of Morocco

    Directory of Open Access Journals (Sweden)

    Hammou Ahlafi

    2013-02-01

    Full Text Available Chitosan was obtained from the alkaline N-deacetylation of -chitin, derived from shrimp shells (SS collected from the Moroccan coast. Effects of temperature, NaOH concentration and reaction time on the kinetics of deacetylation were studied. The degree of deacetylation (DD = 75% was obtained at T = 120 °C and CNaOH = 12N in a single step for 6h. It was found, from FTIR studies, that the removal of acetyl groups from chitin occur very fast for the reaction time t < 180 min and then becomes constant after, revealing two steps in the deacetylation of chitin following a first-order kinetics for each of them. The second step is considered the limiting step that has, in the temperature range of 25 – 120 °C and maintained CNaOH = 12N, a low apparent rate constant. The activation energy of this step is about 48.76 kJ/mol. The biopolymer (Chitin and chitosan produced were characterized by X-ray diffraction.

  4. 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.

  5. 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.

  6. 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.

  7. 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

  8. Kinetic analysis of interaction between N atoms and O-covered Ru(0001)

    Energy Technology Data Exchange (ETDEWEB)

    Kang, Kai, E-mail: kangkai@caep.cn [Center of Interface Dynamics for Sustainability, China Academy of Engineering Physics, Chengdu, Sichuan 610200 (China); Science and Technology on Surface Physics and Chemistry Laboratory, P.O. Box 718-35, Mianyang, Sichuan 621907 (China); Kleyn, A. W. [Center of Interface Dynamics for Sustainability, China Academy of Engineering Physics, Chengdu, Sichuan 610200 (China); FOM Institute DIFFER (Dutch Institute For Fundamental Energy Research), P.O. Box 6336, 5600 HH Eindhoven (Netherlands); Gleeson, M. A. [FOM Institute DIFFER (Dutch Institute For Fundamental Energy Research), P.O. Box 6336, 5600 HH Eindhoven (Netherlands)

    2015-10-28

    Eley-Rideal (ER) reactions involving neutral atoms heavier than hydrogen reacting with adsorbed atoms of similar mass were first observed in recent molecular beam experiments by Zaharia et al. [Phys. Rev. Lett. 113, 053201 (2014)]. Through analysis of two types of measurements, they obtained different estimations for the N–O ER reaction cross section, one of which is unexpectedly high. This was qualitatively accounted for by invoking a secondary effect whereby the presence of N adatoms on the surface acted to “shield” O adatoms from prompt recombinative desorption. We apply a rate equation model that includes two ER processes involving different adsorbed species (N–O{sub ad} and N–N{sub ad}) and an N-adsorption process to the full-beam exposure subset of the experimental data in order to study the reaction kinetics. Values for the individual reaction cross sections are derived. The measured N{sub 2} response can be well described by the model, but it is insufficient to completely describe the NO response. Modeling of different exposures is used to evaluate the qualitative picture presented by Zaharia et al.

  9. 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

  10. On the hyperfine structure of the triplet $n^{3}S-$states of the four-electron atoms and ions

    CERN Document Server

    Frolov, Alexei M

    2016-01-01

    Hyperfine structures of the triplet $n^3S-$states in the four-electron Be-atom(s) and Be-like ions are considered. It is shown that to determine the hyperfine structure splitting in such atomic systems one needs to know the triplet electron density at the central atomic nucleus $\\rho_T(0)$. We have developed the procedure which allows allows one to determine the triplet electron density $\\rho_T(0)$ for arbitrary four-electron atoms and ions.

  11. An evaluation of the Fe-N phase diagram considering long-range order of N atoms in gamma'-Fe4N1-x and epsilon-Fe2N1-z

    NARCIS (Netherlands)

    Kooi, BJ; Somers, MAJ; Mittemeijer, EJ

    1996-01-01

    The chemical potential of nitrogen was described asa function of nitrogen content for the Fe-N phases alpha-FE[N], gamma'-Fe4N1-x, and epsilon-Fe2N1-x. For alpha-Fe[N], an ideal random distribution of the nitrogen atoms over the octahedral interstices of the bcc iron lattice was assumed; for gamma'-

  12. Multimillion-atom molecular dynamics simulation of atomic level stresses in Si(111)/Si{sub 3}N{sub 4}(0001) nanopixels

    Energy Technology Data Exchange (ETDEWEB)

    Bachlechner, M.E.; Omeltchenko, A.; Nakano, A.; Kalia, R.K.; Vashishta, P. [Concurrent Computing Laboratory for Materials Simulations, Department of Physics Astronomy and Department of Computer Science, Louisiana State University, Baton Rouge, Louisiana70803-4001 (United States); Ebbsjoe, I. [Studsvik Neutron Research Laboratory, University of Uppsala, S-611 82Nykoeping (Sweden); Madhukar, A. [Department of Materials Science and Engineering, University of Southern California, Los Angeles, California90089-0241 (United States); Messina, P. [Center for Advanced Computing Research, California Institute of Technology, Pasadena, California91125 (United States)

    1998-04-01

    Ten million atom multiresolution molecular-dynamics simulations are performed on parallel computers to determine atomic-level stress distributions in a 54 nm nanopixel on a 0.1 {mu}m silicon substrate. Effects of surfaces, edges, and lattice mismatch at the Si(111)/Si{sub 3}N{sub 4}(0001) interface on the stress distributions are investigated. Stresses are found to be highly inhomogeneous in the nanopixel. The top surface of silicon nitride has a compressive stress of +3GPa and the stress is tensile, {minus}1GPa, in silicon below the interface. {copyright} {ital 1998 American Institute of Physics.}

  13. 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)

  14. Laser-assisted atom probe tomography of Ti/TiN films deposited on Si.

    Science.gov (United States)

    Sanford, N A; Blanchard, P T; White, R; Vissers, M R; Diercks, D R; Davydov, A V; Pappas, D P

    2017-03-01

    Laser-assisted atom probe tomography (L-APT) was used to examine superconducting TiN/Ti/TiN trilayer films with nominal respective thicknesses of 5/5/5 (nm). Such materials are of interest for applications that require large arrays of microwave kinetic inductance detectors. The trilayers were deposited on Si substrates by reactive sputtering. Electron energy loss microscopy performed in a scanning transmission electron microscope (STEM/EELS) was used to corroborate the L-APT results and establish the overall thicknesses of the trilayers. Three separate batches were studied where the first (bottom) TiN layer was deposited at 500°C (for all batches) and the subsequent TiN/Ti bilayer was deposited at ambient temperature, 250°C, and 500°C, respectively. L-APT rendered an approximately planar TiN/Si interface by making use of plausible mass-spectral assignments to N3(1+), SiN(1+), and SiO(1+). This was necessary since ambiguities associated with the likely simultaneous occurrence of Si(1+) and N2(1+) prevented their use in rendering the TiN/Si interface upon reconstruction. The non-superconducting Ti2N phase was also revealed by L-APT. Neither L-APT nor STEM/EELS rendered sharp Ti/TiN interfaces and the contrast between these layers diminished with increased film deposition temperature. L-APT also revealed that hydrogen was present in varying degrees in all samples including control samples that were composed of single layers of Ti or TiN.

  15. 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.

  16. 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.

  17. Low-temperature atomic layer epitaxy of AlN ultrathin films by layer-by-layer, in-situ atomic layer annealing.

    Science.gov (United States)

    Shih, Huan-Yu; Lee, Wei-Hao; Kao, Wei-Chung; Chuang, Yung-Chuan; Lin, Ray-Ming; Lin, Hsin-Chih; Shiojiri, Makoto; Chen, Miin-Jang

    2017-01-03

    Low-temperature epitaxial growth of AlN ultrathin films was realized by atomic layer deposition (ALD) together with the layer-by-layer, in-situ atomic layer annealing (ALA), instead of a high growth temperature which is needed in conventional epitaxial growth techniques. By applying the ALA with the Ar plasma treatment in each ALD cycle, the AlN thin film was converted dramatically from the amorphous phase to a single-crystalline epitaxial layer, at a low deposition temperature of 300 °C. The energy transferred from plasma not only provides the crystallization energy but also enhances the migration of adatoms and the removal of ligands, which significantly improve the crystallinity of the epitaxial layer. The X-ray diffraction reveals that the full width at half-maximum of the AlN (0002) rocking curve is only 144 arcsec in the AlN ultrathin epilayer with a thickness of only a few tens of nm. The high-resolution transmission electron microscopy also indicates the high-quality single-crystal hexagonal phase of the AlN epitaxial layer on the sapphire substrate. The result opens a window for further extension of the ALD applications from amorphous thin films to the high-quality low-temperature atomic layer epitaxy, which can be exploited in a variety of fields and applications in the near future.

  18. 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 ...

  19. 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.

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

    CERN Document Server

    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.

  1. The first principle study on the atomic and electronic structure of GaN(101-bar 0) surface

    Energy Technology Data Exchange (ETDEWEB)

    Li Yonghua [Structure Research Laboratory, University of Science and Technology of China, Academia Sinica, Hefei 230026 (China); NSRL, University of Science and Technology of China, Hefei 230029 (China); Xu Pengshou [Structure Research Laboratory, University of Science and Technology of China, Academia Sinica, Hefei 230026 (China) and NSRL, University of Science and Technology of China, Hefei 230029 (China)]. E-mail: psxu@ustc.edu.cn; Pan Haibin [NSRL, University of Science and Technology of China, Hefei 230029 (China); Xu Faqiang [NSRL, University of Science and Technology of China, Hefei 230029 (China)

    2005-06-15

    In this paper, we have calculated the atomic and electronic structure of GaN(101-bar 0) surface using an augmented plane wave plus local orbital (APW+lo) method. It is found that the surface is characterized by a top-layer bond-length-contracting rotation relaxation. The surface Ga atom moves towards the substrate and tends to form a planar sp{sup 2}-like bonding. While the surface N atom tends to a p{sup 3}-like bonding. Surface relaxation induces the transformation from metallic to semiconducting characterization.

  2. Atomic Force Microscopy Imaging of Filamentous Aggregates from an N-Terminal Peptide Fragment of Barnase

    Science.gov (United States)

    Shibata-Seki, Teiko; Masai, Junji; Yoshida, Kenji; Sato, Kazuki; Yanagawa, Hiroshi

    1993-06-01

    This paper reports the atomic force microscopy (AFM) imaging of filamentous aggregates derived from an N-terminal peptide fragment of barnase, a ribonuclease from Bacillus amyloliquefaciens. The sample was deposited on a freshly cleaved mica surface and observed in ambient conditions. The overall shapes of the filamentous structures imaged with two different kinds of AFMs were similar to those obtained with a transmission electron microscope (TEM), except that the filaments in AFM images were broader than those in TEM images. This broadening phenomenon characteristic of AFM images was explained in terms of the convolution-type distortion of the specimen diameter by the scanning-tip apex.

  3. 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

  4. Metastable atomic species in the N{sub 2} flowing afterglow

    Energy Technology Data Exchange (ETDEWEB)

    Levaton, J. [Laboratorio Nacional de Ciencia e Tecnologia do Bioetanol - CTBE/CNPEM, Caixa Postal 6170, 13083-970 Campinas, Sao Paulo (Brazil); Amorim, J., E-mail: jayr.amorim@bioetanol.org.br [Laboratorio Nacional de Ciencia e Tecnologia do Bioetanol - CTBE/CNPEM, Caixa Postal 6170, 13083-970 Campinas, Sao Paulo (Brazil)

    2012-03-13

    Graphical abstract: Calculated N({sup 4}S), N({sup 2}D) and N({sup 2}P) absolute densities as a function of the afterglow time. Highlights: Black-Right-Pointing-Pointer Nitrogen flowing post-discharge. Black-Right-Pointing-Pointer N({sup 4}S) and N({sup 2}D) densities. Black-Right-Pointing-Pointer Kinetic numerical model of the nitrogen afterglow. - Abstract: We have studied by optical emission spectroscopy the post-discharge of a pure N{sub 2} DC flowing discharge in such experimental conditions that the pink afterglow and the Lewis-Rayleigh afterglow occur. The emission profiles originated from the N{sub 2}(B{sup 3}{Pi}{sub g}), N{sub 2}(C{sup 3}{Pi}{sub u}) and N{sub 2}{sup +}(B{sup 2}{Sigma}{sub u}{sup +}) states and the N{sub 2}(B{sup 3}{Pi}{sub g},6{<=}v{<=}12) and N{sub 2}(C{sup 3}{Pi}{sub u},0{<=}v{<=}4) vibrational distributions were obtained in the post-discharge region. With basis on the works of Bockel et al. [S. Bockel, A.M. Diamy, A. Ricard, Surf. Coat. Tech. 74 (1995) 474] and Amorim and Kiohara [J. Amorim, V. Kiohara, Chem. Phys. Lett. 385 (2004) 268], we have obtained the experimental N({sup 4}S) and N({sup 2}D) relative densities along the post-discharge. A numerical model, previously developed to describe the neutral atomic, molecular and ionic species in the afterglow, was improved to include the kinetics of N({sup 2}D) and N({sup 2}P) states. Several kinetic mechanisms leading to the production of N({sup 2}D) in the post-discharge have been studied in order to explain the experimental data. We have determined that the dominant one is the reaction N{sub 2}(X{sup 1}{Sigma}{sub g}{sup +},v>8)+N({sup 4}S){yields}N{sub 2}(X{sup 1}{Sigma}{sub g}{sup +})+N({sup 2}D) with an estimated rate constant of 7 Multiplication-Sign 10{sup -14} cm{sup 3} s{sup -1}. Also, the fit of the numerical density profiles of N{sub 2}(C{sup 3}{Pi}{sub u}) and N{sub 2}{sup +}(B{sup 2}{Sigma}{sub u}{sup +}) to the experimental ones has provided the rate constant for reaction

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

    OpenAIRE

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

    2010-01-01

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

  6. The transfer of tin and germanium atoms from N-heterocyclic stannylenes and germylenes to diazadienes.

    Science.gov (United States)

    Gans-Eichler, Timo; Gudat, Dietrich; Nättinen, Kalle; Nieger, Martin

    2006-01-23

    New N-heterocyclic stannylenes and germylenes were synthesized by transamination of E[N(SiMe3)2] (E = Ge, Sn) with alpha-amino-aldimines or ethylidene-1,2-diamines and were characterized by spectroscopic methods and in the case of the germylene 10 g by X-ray diffraction. The reactions of several germylenes and stannylenes with diazadienes were studied by using dynamic NMR and computational methods. Experimental and theoretical studies confirmed that metathesis with exchange of the Group 14 atom is feasible for both stannylenes and germylenes, with exchange rates being generally higher for stannylenes. The metathesis of the diazadiene 3 b and the stannylene 1 b follows second-order kinetics and exhibits a sizeable negative entropy of activation. The transfer reaction is inhibited by bulky substituents in both reactants and surprisingly coincides with a suppression of the fragmentation of the stannylene into tin and diazadiene. A connection between oxidative addition and ring fragmentation was also observed in the reaction of 1 f with sulfur. Density functional theory (DFT) calculations suggest that all metathesis reactions proceed via transient spirocyclic [1+4] cycloaddition products, the formation of which is generally endothermic and endergonic. The spirostannanes display a distorted Psi-tbp geometry at the tin atom and their cycloreversion requires low or nearly negligible activation energies; spirogermanes exhibit distorted tetrahedral central atoms and sizeable energy barriers with respect to the same reaction. Complementary studies of cycloadditions of diazadienes to triplet germylenes or stannylenes indicate that these reactions are exothermic. The lowest triplet state in the carbene homologues results from promotion of an electron from an n(N) orbital with pi character rather than the n(C)-sigma orbital as in carbenes, and singlet-triplet excitation energies decrease from carbon to tin. Spirostannanes exhibit a triplet ground-state multiplicity that implies

  7. 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...

  8. Space charged region in GaN and InN nanocolumns investigated by atomic force microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Cimalla, V.; Ambacher, O. [Institute of Micro- and Nanotechnologies, Technische Universitaet Ilmenau, P.O. Box 100565, 98684 Ilmenau (Germany); Machleidt, T.; Franke, K.H. [Department of Computer Graphics Program, Technische Universitaet Ilmenau, P.O. Box 100565, 98684 Ilmenau (Germany); Ristic, J.; Grandal, J.; Sanchez-Garcia, M.A.; Calleja, E. [ISOM-Dept. Ingenieria Electronica, ETSI Telecomunicacion, Universidad Politecnica, 28040 Madrid (Spain); Niebelschuetz, M.

    2008-07-01

    High quality InN and GaN nanocolumns of different length and diameter grown by molecular beam epitaxy (MBE) were electrically characterized directly and non-destructively by Atomic Force Microscopy (AFM) as a function of the column diameter. The 'exact' column diameter was determined from AFM images by Blind Tip Estimation (BTE) and subsequent image reconstruction in order to avoid artefacts due to the finite AFM tip radius. In GaN, the conductivity rises up to a 'critical' diameter due to a depletion region at the surface of the nanocolumns and remains constant above. In contrast, the electron accumulation at the surface causes decreasing conductivity in InN nanocolumns with increasing diameter. Thus, the nanocolumn surface acts as the preferential conduction path. These facts prove that there is electron accumulation in as-grown non-polar InN surfaces, according to calculations of the Fermi level pinning in InN. (copyright 2008 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  9. Probing nuclear shell structure beyond the N=40 subshell using multiple Coulomb excitation and transfer experiments

    Energy Technology Data Exchange (ETDEWEB)

    Hellgartner, Stefanie Christine

    2015-11-13

    In this work, the N=40 subshell closure is investigated with two complementary methods using a radioactive {sup 72}Zn ISOLDE beam: One- and two-neutron transfer reactions and multiple Coulomb excitation. In the one-neutron transfer reaction, two new levels of {sup 73}Zn were discovered. The two-neutron transfer channel allowed to study the differential cross section of the ground state and the 2{sup +}{sub 1} state of {sup 74}Zn. In the Coulomb excitation experiment, the measured B(E2) values and quadrupole moments of {sup 72}Zn showed that the yrast states 0{sup +}{sub 1}, 2{sup +}{sub 1} and 4{sup +}{sub 1} are moderately collective. Contrary, the 0{sup +}{sub 2} state has a different structure, since it features a stronger closed N=40 configuration compared to the ground state.

  10. Chapter 11 Computational Study of the Reaction of n-Bromopropane with OH Radicals and Cl Atoms

    Science.gov (United States)

    Rosado-Reyes, Claudette M.; Martínez-Avilés, Mónica; Francisco, Joseph S.

    Ab initio molecular orbital theory is utilized to study the hydrogen abstraction reaction of n-bromopropane with hydroxyl radical and chlorine atom. The stability of the trans and gauche isomers of n-bromopropane is explored. The potential energy surface of both reactions is characterized by pre- and post-reactive complexes, as well as transition state structures in both trans and gauche isomeric forms. The importance of these two reactions relies on the ultimate product distribution from both reactions. Differences in the reactivity of 1-bromopropane toward OH and Cl are observed. The reaction of n-bromopropane with OH radical favors the abstraction of [beta] hydrogen atoms while the reaction with Cl atoms favors the abstraction of hydrogen atoms at the [alpha] and [beta] carbon sites.

  11. Growth of cubic III-nitrides by gas source MBE using atomic nitrogen plasma: GaN, AlGaN and AlN

    Science.gov (United States)

    Okumura, H.; Hamaguchi, H.; Koizumi, T.; Balakrishnan, K.; Ishida, Y.; Arita, M.; Chichibu, S.; Nakanishi, H.; Nagatomo, T.; Yoshida, S.

    1998-06-01

    Cubic GaN, AlGaN and AlN epilayers were grown on 3C-SiC(0 0 1) substrates by gas source molecular beam epitaxy using radio-frequency N 2 plasma containing atomic nitrogen species. Due to the enhancement of growth rate by this plasma source, cubic GaN epilayers with the thickness of several micrometers were obtained, and the quality of epilayers was so much improved that they showed an X-ray diffraction peak width as small as 9 min. Cubic Al xGa 1- xN and cubic AlN epilayers were also grown, and the variations of X-ray diffraction peak position and emission energy were observed according to the Al content.

  12. Modificación de un motor de baja cilindrada para mejorar la eficiencia con el empleo de etanol utilizado en la Shell Eco-Marathon

    OpenAIRE

    2016-01-01

    [ES] En este proyecto se realizara un estudio y modificación de un motor de baja cilindrada para mejorar la eficiencia con el empleo de etanol para la competición Shell Eco-Marathon, en el cual pretendemos consumir la menor cantidad de combustible ya que en esta competición se mide el grado de eficiencia energética alcanzado. El proyecto se concreta en reducir el consumo de combustible de un motor térmico de cuatro tiempos. Bocanegra Sánchez, D. (2016). Modificación de un motor de baja ...

  13. 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.

  14. 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.

  15. Neutron occupancy of the 0d5/2 orbital and the N=16 shell closure in 24O

    CERN Document Server

    Tshoo, K; Bertulani, C A; Bhang, H; Choi, S; Nakamura, T; Kondo, Y; Deguchi, S; Kawada, Y; Nakayama, Y; Tanaka, K N; Tanaka, N; Togano, Y; Kobayashi, N; Aoi, N; Ishihara, M; Motobayashi, T; Otsu, H; Sakurai, H; Takeuchi, S; Yoneda, K; Delaunay, F; Gibelin, J; Marqués, F M; Orr, N A; Honda, T; Kobayashi, T; Sumikama, T; Miyashita, Y; Yoshinaga, K; Matsushita, M; Shimoura, S; Sohler, D; Hwang, J W; Zheng, T; Li, Z H; Cao, Z X

    2014-01-01

    One-neutron knockout from 24O leading to the first excited state in 23O has been measured for a proton target at a beam energy of 62 MeV/nucleon. The decay energy spectrum of the neutron unbound state of 23O was reconstructed from the measured four momenta of the 22O fragment and emitted neutron. A sharp peak was found at Edecay=50$\\pm$3 keV, corresponding to an excited state in 23O at 2.78$\\pm$0.11 MeV, as observed in previous measurements. The longitudinal momentum distribution for this state was consistent with d -wave neutron knockout, providing support for a J{\\pi} assignment of 5/2+. The associated spectroscopic factor was deduced to be C2S(0d5/2)=4.1$\\pm$0.4 by comparing the measured cross section (View the MathML source) with a distorted wave impulse approximation calculation. Such a large occupancy for the neutron 0d5/2 orbital is in line with the N=16 shell closure in 24O.

  16. Neutron occupancy of the 0d5/2 orbital and the N=16 shell closure in 24O

    Directory of Open Access Journals (Sweden)

    K. Tshoo

    2014-12-01

    Full Text Available One-neutron knockout from 24O leading to the first excited state in 23O has been measured for a proton target at a beam energy of 62 MeV/nucleon. The decay energy spectrum of the neutron unbound state of 23O was reconstructed from the measured four momenta of the 22O fragment and emitted neutron. A sharp peak was found at Edecay=50±3 keV, corresponding to an excited state in 23O at 2.78±0.11 MeV, as observed in previous measurements. The longitudinal momentum distribution for this state was consistent with d-wave neutron knockout, providing support for a Jπ assignment of 5/2+. The associated spectroscopic factor was deduced to be C2S(0d5/2=4.1±0.4 by comparing the measured cross section (σ−1nexp=61±6 mb with a distorted wave impulse approximation calculation. Such a large occupancy for the neutron 0d5/2 orbital is in line with the N=16 shell closure in 24O.

  17. Extinction of the N=20 neutron-shell closure for 32Mg examined by direct mass measurements

    CERN Document Server

    Chaudhuri, A; Brunner, T; Chowdhury, U; Ettenauer, S; Gallant, A T; Gwinner, G; Kwiatkowski, A A; Lennarz, A; Lunney, D; Macdonald, T D; Schultz, B E; Simon, M C; Simon, V V; Dilling, J

    2013-01-01

    The 'island of inversion' around $^{32}$Mg is one of the most important paradigm for studying the disappearance of the stabilizing 'magic' of a shell closure. We present the first Penning-trap mass measurements of the exotic nuclides $^{29-31}$Na and $^{30-34}$Mg, which allow a precise determination of the empirical shell gap for $^{32}$Mg. The new value of 1.10(3) MeV is the lowest observed shell gap for any nuclide with a canonical magic number.

  18. 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.

  19. Photocatalytic oxidation of aqueous ammonia using atomic single layer graphitic-C3N4.

    Science.gov (United States)

    Wang, Hua; Su, Yan; Zhao, Huanxin; Yu, Hongtao; Chen, Shuo; Zhang, Yaobin; Quan, Xie

    2014-10-21

    Direct utilization of solar energy for photocatalytic removal of ammonia from water is a topic of strong interest. However, most of the photocatalysts with effective performance are solely metal-based semiconductors. Here, we report for the first time that a new type of atomic single layer graphitic-C(3)N(4) (SL g-C(3)N(4)), a metal-free photocatalyst, has an excellent photocatalytic activity for total ammonia nitrogen (TAN) removal from water. The results demonstrated that over 80% of TAN (initial concentration 1.50 mg · L(-1)) could be removed in 6 h under Xe lamp irradiation (195 mW · cm(-2)). Furthermore, the SL g-C(3)N(4) exhibited a higher photocatalytic activity in alkaline solution than that in neutral or acidic solutions. The investigation suggested that both photogenerated holes and hydroxyl radicals were involved the TAN photocatalytic oxidation process and that the major oxidation product was NO3(-)-N. In addition, SL g-C(3)N(4) exhibited good photocatalytic stability in aqueous solution. This work highlights the appealing application of an inexpensive metal-free photocatalyst in aqueous ammonia treatment.

  20. Characterisation of 3D-GaN/InGaN core-shell nanostructures by transmission electron microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Griffiths, Ian; Cherns, David [School of Physics, H. H. Wills Physics Laboratory, University of Bristol, Tyndall Avenue, Bristol, BS8 1TL (United Kingdom); Wang, Xue; Wehman, Hergo-Heinrich; Waag, Andreas [Institute of Semiconductor Technology, Braunschweig University of Technology, Hans-Sommer-Strasse 66, 38106 Braunschweig (Germany); Mandl, Martin; Strassburg, Martin [Osram Opto Semiconductors GmbH, Leibnizstrasse 4, 93055 Regensburg (Germany)

    2014-04-15

    Transmission and scanning electron microscopy have been used to characterise GaN/InGaN 3D nanostructures grown on patterned GaN/sapphire substrates by metal organic vapour phase epitaxy (MOVPE). It has been found that the growth of well ordered arrays of such nanostructures, containing multiple quantum wells on non-polar side-facets, can be achieved with a low density of defects. Growth changes and surface morphology play a major role in the nucleation of any defects present. The nanostructure morphology has been investigated and differing growth rates on adjacent facets studied. (copyright 2014 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  1. 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

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

    Science.gov (United States)

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

    2015-07-21

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

  3. Non-dipole effects in the angular distribution of photoelectrons from the K-shell of N{sub 2} molecule

    Energy Technology Data Exchange (ETDEWEB)

    Hosaka, K [Department of Chemistry, Graduate School of Science, University of Tokyo, Bunkyo-ku, Tokyo 113-0033 (Japan); Adachi, J [Department of Chemistry, Graduate School of Science, University of Tokyo, Bunkyo-ku, Tokyo 113-0033 (Japan); Photon Factory, Institute of Materials Structure Science, Tsukuba-shi, Ibaraki 305-0801 (Japan); Golovin, A V [Photon Factory, Institute of Materials Structure Science, Tsukuba-shi, Ibaraki 305-0801 (Japan); Institute of Physics, St Petersburg State University, 198504 St Petersburg (Russian Federation); Takahashi, M [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Sendai, Miyagi 980-8577 (Japan); Teramoto, T [Department of Chemistry, Graduate School of Science, University of Tokyo, Bunkyo-ku, Tokyo 113-0033 (Japan); Watanabe, N [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Sendai, Miyagi 980-8577 (Japan); Yagishita, A [Department of Chemistry, Graduate School of Science, University of Tokyo, Bunkyo-ku, Tokyo 113-0033 (Japan); Photon Factory, Institute of Materials Structure Science, Tsukuba-shi, Ibaraki 305-0801 (Japan); Semenov, S K [State University of Aerospace Instrumentation, 190000 St Petersburg (Russian Federation); Cherepkov, N A [State University of Aerospace Instrumentation, 190000 St Petersburg (Russian Federation)

    2006-01-28

    Measurements and calculations of the contribution of the non-dipole terms in the angular distribution of photoelectrons from the K-shell of randomly oriented N{sub 2} molecules are reported. The angular distributions have been measured in the plane containing the photon polarization and the photon momentum vectors of linearly polarized radiation. Calculations have been performed in the relaxed core Hartree-Fock approximation with a fractional charge, and many-electron correlations were taken into account in the random phase approximation. Both theory and experiment show that the non-dipole effects are rather small in the photon energy region from the ionization threshold of the K-shell up to about 70 eV above it. From the theory, it follows that the non-dipole terms for the individual 1{sigma}{sub g} and 1{sigma}{sub u} shells are considerably large; therefore measurements resolving the contributions of the 1{sigma}{sub g} and 1{sigma}{sub u} shells are desirable. (letter to the editor)

  4. Synthesis, Characterization, and Drug Delivery from pH- and Thermoresponsive Poly(N-Isopropylacrylamide/Chitosan Core/Shell Nanocomposites Made by Semicontinuous Heterophase Polymerization

    Directory of Open Access Journals (Sweden)

    Abraham G. Alvarado

    2017-01-01

    Full Text Available Temperature- and pH-responsive core/shell nanoparticles were prepared by semicontinuous heterophase polymerization of N-isopropylacrylamide (NIPA in the presence of chitosan micelles for drug delivery purposes. Micelles of chitosan, formed in an acetic acid aqueous solution at 70°C containing potassium persulfate, were fed with N-isopropylacrylamide (NIPA at a controlled rate, to produce PNIPA/chitosan core/shell nanoparticles of about 350 nm. Then, the crosslinking agent, glutaraldehyde, was added to crosslink the nanoparticles. These nanocomposites were temperature- and pH-responsive, which make them suitable as controlled drug releasing agents. The nanoparticles exhibit thermoreversibility to heating-and-cooling cycles and show different responses depending on the releasing medium’s pH. Drug delivery tests were performed, employing as a model drug, doxycycline hyclate.

  5. 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.

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

    CERN Document Server

    Bonzi, E V

    2006-01-01

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

  7. All-atom Molecular Dynamics Simulationsand NMR Spectroscopy Study on Interactions and Structures in N-Glycylglycine Aqueous Solution

    Institute of Scientific and Technical Information of China (English)

    Rong Zhang; Wen-juan Wu; Jing-man Huang; Xin Meng

    2011-01-01

    All-atom molecular dynamics (MD) simulation and the NMR spectra are used to investigate the interactions in N-glycylglycine aqueous solution.Different types of atoms exhibit different capability in forming hydrogen bonds by the radial distribution function analysis.Some typical dominant aggregates are found in different types of hydrogen bonds by the statistical hydrogen-bonding network.Moreover,temperature-dependent NMR are used to compare with the results of the MD simulations.The chemical shifts of the three hydrogen atoms all decrease with the temperature increasing which reveals that the hydrogen bonds are dominant in the glycylglycine aqueous solution.And the NMR results show agreement with the MD simulations.All-atom MD simulations and NMR spectra are successful in revealing the structures and interactions in the N-glycylglycine-water mixtures.

  8. 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.

  9. Fluctuations of tensile strength and hardness of c-BC₂N crystals induced by difference in atomic configuration.

    Science.gov (United States)

    Zhuang, Chunqiang; Li, Xiaoqing; Zhao, Jijun; Samra, H Abu; Jiang, Xin

    2011-11-23

    At the atomistic level, the physical properties of a material are determined by its structure such as atomic arrangements. Here first-principles calculations were performed to investigate the effect of atomic configuration on the tensile strength and Vickers hardness of cubic-BC₂N (c-BC₂N) crystals. Depending on the degree of mixture between diamond and c-BN, the tensile strength of c-BC2N crystals can vary drastically from 27 to 77 GPa. The magnitude of the Vickers hardness fluctuations (~10 GPa) is also comparable to the experimental difference (~14 GPa). Thus, atomic-scale characterization of c-BC₂N crystal structures may unveil the discrepancy of the measured Vickers hardness in experiments, and uncover the obvious differences of tensile strength described in theoretical calculations.

  10. 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.

  11. 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....

  12. 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.

  13. 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.

  14. White light generation using CdSe/ZnS core shell nanocrystals hybridized with InGaN/GaN light emitting diodes

    Science.gov (United States)

    Nizamoglu, S.; Ozel, T.; Sari, E.; Demir, H. V.

    2007-02-01

    We introduce white light generation using CdSe/ZnS core-shell nanocrystals of single, dual, triple and quadruple combinations hybridized with InGaN/GaN LEDs. Such hybridization of different nanocrystal combinations provides the ability to conveniently adjust white light parameters including the tristimulus coordinates (x,y), correlated colour temperature (Tc) and colour rending index (Ra). We present the design, growth, fabrication and characterization of our white hybrid nanocrystal-LEDs that incorporate combinations of (1) yellow nanocrystals (λPL = 580 nm) on a blue LED (λEL = 440 nm) with (x,y) = (0.37,0.25), Tc = 2692 K and Ra = 14.69; (2) cyan and red nanocrystals (λPL = 500 and 620 nm) on a blue LED (λEL = 440 nm) with (x,y) = (0.37,0.28), Tc = 3246 K and Ra = 19.65; (3) green, yellow and red nanocrystals (λPL = 540, 580 and 620 nm) on a blue LED (λEL = 452 nm) with (x,y) = (0.30,0.28), Tc = 7521 K and Ra = 40.95; and (4) cyan, green, yellow and red nanocrystals (λPL = 500, 540, 580 and 620 nm) on a blue LED (λEL = 452 nm) with (x,y) = (0.24,0.33), Tc = 11 171 K and Ra = 71.07. These hybrid white light sources hold promise for future lighting and display applications with their highly adjustable properties.

  15. Photo-ionization cross-section of donor-related in (In,Ga)N/GaN core/shell under hydrostatic pressure and electric field effects

    Science.gov (United States)

    El Ghazi, Haddou; John Peter, A.

    2017-04-01

    Hydrogenic-like donor-impurity related self and induced polarizations, bending energy and photo-ionization cross section in spherical core/shell zinc blende (In,Ga)N/GaN are computed. Based on the variational approach and within effective-mass and one parabolic approximations, the calculations are made under finite potential barrier taking into account of the discontinuity of the effective-mass and the constant dielectric. The photo-ionization cross section is studied according to the photon incident energy considering the effects of hydrostatic pressure, applied electric field, structure's radius, impurity's position and indium composition in the core. It is obtained that the influences mentioned above lead to either blue shifts or redshifts of the resonant peak of the photo-ionization cross section spectrum. The unusual behavior related to the structure radius is discussed which is as a consequence of the finite potential confinement. We have shown that the photo-ionization cross section can be controlled with adjusting the internal and external factors. These properties can be useful for producing some device applications such as quantum dot infrared photodetectors.

  16. Atomically thin lateral p-n junction photodetector with large effective detection area

    Science.gov (United States)

    Xu, Zai-Quan; Zhang, Yupeng; Wang, Ziyu; Shen, Yuting; Huang, Wenchao; Xia, Xue; Yu, Wenzhi; Xue, Yunzhou; Sun, Litao; Zheng, Changxi; Lu, Yuerui; Liao, Lei; Bao, Qiaoliang

    2016-12-01

    The widely used photodetector design based on atomically thin transition metal dichalcogenides (TMDs) has a lateral metal-TMD-metal junction with a fairly small, line shape photoresponsive active area at the TMD-electrode interface. Here, we report a highly efficient photodetector with extremely large photoresponsive active area based on a lateral junction of monolayer-bilayer WSe2. Impressively, the separation of the electron-hole pairs (excitons) extends onto the whole 1L-2L WSe2 junction surface. The responsivity of the WSe2 junction photodetector is over 3200 times higher than that of a monolayer WSe2 device and leads to a highest external quantum efficiency of 256% due to the efficient carrier extraction. Unlike the TMD p-n junctions modulated by dual gates or localized doping, which require complex fabrication procedures, our study establishes a simple, controllable, and scalable method to improve the photodetection performance by maximizing the active area for current generation.

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. Mg dopant distribution in an AlGaN/GaN p-type superlattice assessed using atom probe tomography, TEM and SIMS

    Energy Technology Data Exchange (ETDEWEB)

    Bennett, S E; Kappers, M J; Barnard, J S; Humphreys, C J; Oliver, R A [Department of Materials Science and Metallurgy, University of Cambridge, Pembroke St., Cambridge, CB2 3QZ (United Kingdom); Clifton, P H; Ulfig, R M, E-mail: sb534@cam.ac.u [Imago Scientific Instruments Corporation, 5500 Nobel Drive, Madison, WI, 53711 (United States)

    2010-02-01

    P-type conducting layers are critical in GaN-based devices such as LEDs and laser diodes. Such layers are often produced by doping GaN with Mg, but the hole concentration can be enhanced using AlGaN/GaN p-type superlattices by exploiting the built-in polarisation fields. A Mg-doped AlGaN/GaN superlattice was studied using SIMS. Although the AlGaN and GaN were nominally doped to the same level, the SIMS data suggested a difference in doping density between the two materials. Atom probe tomography was then used to investigate the Mg distribution. The superlattice repeats were clearly visible, as expected and, in addition, significant Mg clustering was observed in both the GaN and AlGaN layers. There were many more Mg clusters in the AlGaN layers than the GaN layers, accounting for the difference in doping density suggested by SIMS. To evaluate the structural accuracy of the atom probe reconstruction, layer thicknesses from the atom probe were compared with STEM images. Finally, future work is proposed to investigate the Mg clusters in the TEM.

  2. Porous Core-Shell Fe3C Embedded N-doped Carbon Nanofibers as an Effective Electrocatalysts for Oxygen Reduction Reaction.

    Science.gov (United States)

    Ren, Guangyuan; Lu, Xianyong; Li, Yunan; Zhu, Ying; Dai, Liming; Jiang, Lei

    2016-02-17

    The development of nonprecious-metal-based electrocatalysts with high oxygen reduction reaction (ORR) activity, low cost, and good durability in both alkaline and acidic media is very important for application of full cells. Herein, we developed a facile and economical strategy to obtain porous core-shell Fe3C embedded nitrogen-doped carbon nanofibers (Fe3C@NCNF-X, where X denotes pyrolysis temperature) by electrospinning of polyvinylidene fluoride (PVDF) and FeCl3 mixture, chemical vapor phase polymerization of pyrrole, and followed by pyrolysis of composite nanofibers at high temperatures. Note that the FeCl3 and polypyrrole acts as precursor for Fe3C core and N-doped carbon shell, respectively. Moreover, PVDF not only plays a role as carbon resources, but also provides porous structures due to hydrogen fluoride exposure originated from thermal decomposition of PVDF. The resultant Fe3C@NCNF-X catalysts, particularly Fe3C@NCNF-900, showed efficient electrocatalytic performance for ORR in both alkaline and acidic solutions, which are attributed to the synergistic effect between Fe3C and N-doped carbon as catalytic active sites, and carbon shell protects Fe3C from leaching out. In addition, the Fe3C@NCNF-X catalyst displayed a better long-term stability, free from methanol crossover and CO-poisoning effects than those of Pt/C, which is of great significance for the design and development of advanced electrocatalysts based on nonprecious metals.

  3. MS-on-shell quark mass relation up to four loops in QCD and a general SU(N) gauge group

    Energy Technology Data Exchange (ETDEWEB)

    Marquard, Peter [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany); Smirnov, Alexander V. [Moscow State Univ. (Russian Federation). Research Computing Center; Smirnov, Vladimir A. [Moscow State Univ. (Russian Federation). Skobeltsyn Inst. of Nuclear Physics; Steinhauser, Matthias; Wellmann, David [Karlsruher Institut fuer Technologie (Germany). Inst. fuer Theoretische Teilchenphysik

    2016-06-15

    In this paper we compute the relation between heavy quark masses defined in the modified minimal subtraction and on-shell scheme. Detailed results are presented for all coefficients of the SU(N{sub c}) colour factors. The reduction of the four-loop on-shell integrals is performed for a general QCD gauge parameter. Some of the about 380 master integrals are computed analytically, others with high numerical precision based on Mellin-Barnes representations, and the rest numerically with the help of FIESTA. We discuss in detail the precise numerical evaluation of the four-loop master integrals. Updated relations between various short-distance masses and the MS quark mass to next-to-next-to-next-to-leading order accuracy are provided for the charm, bottom and top quark. We discuss the dependence on the renormalization and factorization scale.

  4. Metal-Free Hydrogen Atom Transfer from Water: Expeditious Hydrogenation of N-Heterocycles Mediated by Diboronic Acid.

    Science.gov (United States)

    Xia, Yun-Tao; Sun, Xiao-Tao; Zhang, Ling; Luo, Kai; Wu, Lei

    2016-11-21

    A hydrogenation of N-heterocycles mediated by diboronic acid with water as the hydrogen atom source is reported. A variety of N-heterocycles can be hydrogenated with medium to excellent yields within 10 min. Complete deuterium incorporation from stoichiometric D2 O onto substrates further exemplifies the H/D atom sources. Mechanism studies reveal that the reduction proceeds with initial 1,2-addition, in which diboronic acid synergistically activates substrates and water via a six-membered ring transition state.

  5. 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.

  6. The atomic orbitals of the topological atom.

    Science.gov (United States)

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

    2013-06-07

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

  7. 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.

  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. 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}.

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

    Science.gov (United States)

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

    2015-01-27

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

  11. Atom probe extended to AlGaN: three-dimensional imaging of a Mg-doped AlGaN/GaN superlattice

    Energy Technology Data Exchange (ETDEWEB)

    Bennett, Samantha E.; Kappers, Menno J.; Barnard, Jonathan S.; Humphreys, Colin J.; Oliver, Rachel A. [Department of Materials Science and Metallurgy, University of Cambridge, Pembroke Street, CB2 3QZ (United Kingdom); Clifton, Peter H.; Ulfig, Robert M. [Imago Scientific Instruments Corporation, 5500 Nobel Drive, Madison, WI (United States)

    2010-07-15

    Laser pulsed atom probe tomography (APT) can provide three-dimensional chemical and spatial information in semiconductor materials, revealing buried features at the nanoscale. In this investigation, a Mg-doped AlGaN/GaN superlattice was studied using laser pulsed APT. Such superlattices are commonly used to overcome the intrinsically low doping efficiency of Mg. Although the superlattice was nominally doped to the same level throughout, secondary ion mass spectrometry (SIMS) suggested a greater Mg content in the AlGaN layers. The APT data provided three-dimensional element mapping and revealed clustered Mg in both the GaN and AlGaN layers. These clusters are shown to be statistically significant when compared to a random distribution of Mg. More clusters were found in the AlGaN layers, suggesting that the presence of clusters accounts for the higher Mg level in the AlGaN layers that was suggested by SIMS. (copyright 2010 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  12. 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.

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

    Science.gov (United States)

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

    2016-04-01

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

  14. 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.

  15. 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.

  16. 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.

  17. Two-dimensional electromagnetically induced cross-grating in a four-level N-type atomic system

    Science.gov (United States)

    Wu, Jianchun; Ai, Baoquan

    2015-06-01

    We propose a scheme for a two-dimensional (2D) electromagnetically induced cross-grating (EICG) in a four-level N-type atomic system. By employing standing-wave fields interacting with the atomic system, the absorption and dispersion of the probe field will change with the spatial periodical modulation. The first-order diffraction intensity sensitively depends on the parameters (the probe detuning, and the amplitude and detuning of the standing-wave fields), and can reach its maximum on varying the system parameters. The present studies may be instructive to design new devices in all-optical switching and optical imaging.

  18. Core-shell Prussian blue analogue molecular magnet Mn(1.5)[Cr(CN)6]·mH2O@Ni(1.5)[Cr(CN)6]·nH2O for hydrogen storage.

    Science.gov (United States)

    Bhatt, Pramod; Banerjee, Seemita; Anwar, Sharmistha; Mukadam, Mayuresh D; Meena, Sher Singh; Yusuf, Seikh M

    2014-10-22

    Core-shell Prussian blue analogue molecular magnet Mn1.5[Cr(CN)6]·mH2O@Ni1.5[Cr(CN)6]·nH2O has been synthesized using a core of Mn1.5[Cr(CN)6]·7.5H2O, surrounded by a shell of Ni1.5[Cr(CN)6]·7.5H2O compound. A transmission electron microscopy (TEM) study confirms the core-shell nature of the nanoparticles with an average size of ∼25 nm. The core-shell nanoparticles are investigated by using x-ray diffraction (XRD), energy-dispersive X-ray spectroscopy (EDS) and elemental mapping, X-ray photoelectron spectroscopy (XPS), thermogravimetric analysis (TGA), and infrared (IR) spectroscopy. The Rietveld refinement of the XRD pattern reveals that the core-shell compound has a face-centered cubic crystal structure with space group Fm3m. The observation of characteristic absorption bands in the range of 2000-2300 cm(-1) in IR spectra corresponds to the CN stretching frequency of Mn(II)/Ni(II)-N≡C-Cr(III) sequence, confirming the formation of Prussian blue analogues. Hydrogen absorption isotherm measurements have been used to investigate the kinetics of molecular hydrogen adsorption into core-shell compounds of the Prussian blue analogue at low temperature conditions. Interestingly, the core-shell compound shows an enhancement in the hydrogen capacity (2.0 wt % at 123 K) as compared to bare-core and bare-shell compounds. The hydrogen adsorption capacity has been correlated with the specific surface area and TGA analysis of the core-shell compound. To the best of our knowledge, this is the first report on the hydrogen storage properties of core-shell Prussian blue analogue molecular magnet that could be useful for hydrogen storage applications.

  19. 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.

  20. 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.

  1. Structural and chemical characteristics of atomically smooth GaN surfaces prepared by abrasive-free polishing with Pt catalyst

    Science.gov (United States)

    Murata, Junji; Sadakuni, Shun; Okamoto, Takeshi; Hattori, Azusa N.; Yagi, Keita; Sano, Yasuhisa; Arima, Kenta; Yamauchi, Kazuto

    2012-06-01

    This paper reports the structural and chemical characteristics of atomically flat gallium nitride (GaN) surfaces prepared by abrasive-free polishing with platinum (Pt) catalyst. Atomic force microscopy revealed regularly alternating wide and narrow terraces with a step height equivalent to that of a single bilayer on the flattened GaN surfaces, which originate from the differences in etching rate of two neighboring terraces. The material removal characteristics of the method for GaN surfaces were investigated in detail. We confirmed that an atomically smooth GaN surface with an extremely small number of surface defects, including pits and scratches, can be achieved, regardless of the growth method, surface polarity, and doping concentration. X-ray photoelectron spectroscopy showed that the flattening method produces clean GaN surfaces with only trace impurities such as Ga oxide and metallic Ga. Contamination with the Pt catalyst was also evaluated using total-reflection X-ray fluorescence analysis. A wet cleaning method with aqua regia is proposed, which markedly eliminates this Pt contamination without affecting the surface morphology.

  2. Quantitative analysis of hydrogen in SiO2/SiN/SiO2 stacks using atom probe tomography

    Directory of Open Access Journals (Sweden)

    Yorinobu Kunimune

    2016-04-01

    Full Text Available We have demonstrated that it is possible to reproducibly quantify hydrogen concentration in the SiN layer of a SiO2/SiN/SiO2 (ONO stack structure using ultraviolet laser-assisted atom probe tomography (APT. The concentration of hydrogen atoms detected using APT increased gradually during the analysis, which could be explained by the effect of hydrogen adsorption from residual gas in the vacuum chamber onto the specimen surface. The amount of adsorbed hydrogen in the SiN layer was estimated by analyzing another SiN layer with an extremely low hydrogen concentration (<0.2 at. %. Thus, by subtracting the concentration of adsorbed hydrogen, the actual hydrogen concentration in the SiN layer was quantified as approximately 1.0 at. %. This result was consistent with that obtained by elastic recoil detection analysis (ERDA, which confirmed the accuracy of the APT quantification. The present results indicate that APT enables the imaging of the three-dimensional distribution of hydrogen atoms in actual devices at a sub-nanometer scale.

  3. 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.

  4. Most Typical 12 Resonant Perturbation of the Hydrogen Atom by Weak Electric and Magnetic Fields

    NARCIS (Netherlands)

    Efstathiou, K.; Lukina, O. V.; Sadovskii, D. A.

    2008-01-01

    We study a perturbation of the hydrogen atom by small homogeneous static electric and magnetic fields in a specific mutual alignment with angle approximately pi/3 which results in the 12 resonance of the linearized Keplerian n-shell approximation. The bifurcation diagram of the classical integrable

  5. 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.

  6. Atomically Thin B doped g-C3N4 Nanosheets: High-Temperature Ferromagnetism and calculated Half-Metallicity

    Science.gov (United States)

    Gao, Daqiang; Liu, Yonggang; Liu, Peitao; Si, Mingsu; Xue, Desheng

    2016-10-01

    Since the graphitic carbon nitride (g-C4N3), which can be seen as C-doped graphitic-C3N4 (g-C3N4), was reported to display ferromagnetic ground state and intrinsic half-metallicity (Du et al., PRL,108,197207,2012), it has attracted numerous research interest to tune the electronic structure and magnetic properties of g-C3N4 due to their potential applications in spintronic devices. In this paper, we reported the experimentally achieving of high temperature ferromagnetism in metal-free ultrathin g-C3N4 nanosheets by introducing of B atoms. Further, first-principles calculation results revealed that the current flow in such a system was fully spin-polarized and the magnetic moment was mainly attributed to the p orbital of N atoms in B doped g-C3N4 monolayer, giving the theoretic evidence of the ferromagnetism and half-metallicity. Our finding provided a new perspective for B doped g-C3N4 spintronic devices in future.

  7. High Atom Number in Microsized Atom Traps

    Science.gov (United States)

    2015-12-14

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

  8. Simulations of shell galaxies with GADGET-2: Multi-generation shell systems

    CERN Document Server

    Bartošková, Kateřina; Ebrová, Ivana; Jílková, Lucie; Křížek, Miroslav

    2011-01-01

    As the missing complement to existing studies of shell galaxies, we carried out a set of self-consistent N-body simulations of a minor merger forming a stellar shell system within a giant elliptical galaxy. We discuss the effect of a phenomenon possibly associated with the galaxy merger simulations --- a presence of multiple generations of shells.

  9. 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.

  10. 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...

  11. The atomic structure of polar and non-polar InGaN quantum wells and the green gap problem.

    Science.gov (United States)

    Humphreys, C J; Griffiths, J T; Tang, F; Oehler, F; Findlay, S D; Zheng, C; Etheridge, J; Martin, T L; Bagot, P A J; Moody, M P; Sutherland, D; Dawson, P; Schulz, S; Zhang, S; Fu, W Y; Zhu, T; Kappers, M J; Oliver, R A

    2017-02-03

    We have used high resolution transmission electron microscopy (HRTEM), aberration-corrected quantitative scanning transmission electron microscopy (Q-STEM), atom probe tomography (APT) and X-ray diffraction (XRD) to study the atomic structure of (0001) polar and (11-20) non-polar InGaN quantum wells (QWs). This paper provides an overview of the results. Polar (0001) InGaN in QWs is a random alloy, with In replacing Ga randomly. The InGaN QWs have atomic height interface steps, resulting in QW width fluctuations. The electrons are localised at the top QW interface by the built-in electric field and the well-width fluctuations, with a localisation energy of typically 20meV. The holes are localised near the bottom QW interface, by indium fluctuations in the random alloy, with a localisation energy of typically 60meV. On the other hand, the non-polar (11-20) InGaN QWs contain nanometre-scale indium-rich clusters which we suggest localise the carriers and produce longer wavelength (lower energy) emission than from random alloy non-polar InGaN QWs of the same average composition. The reason for the indium-rich clusters in non-polar (11-20) InGaN QWs is not yet clear, but may be connected to the lower QW growth temperature for the (11-20) InGaN QWs compared to the (0001) polar InGaN QWs.

  12. 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.

  13. 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。

  14. Hartree-Fock-Roothaan Calculations for Ground States of Some Atoms Using Minimal Basis Sets of Integer and Noninteger n-STOs

    Institute of Scientific and Technical Information of China (English)

    G(U)M(U)(S), Sedat; (O)ZDO(G)AN, Telhat

    2004-01-01

    Hartree-Fock-Roothaan (HFR) calculations for ground states of some atoms, i.e. He, Be, Ne, Ar, and Kr have been performed using minimal basis sets of Slater type orbitals (STOs) with integer and noninteger principal quantum numbers (integer n-STOs and noninteger n-STOs). The obtained total energies for these atoms using minimal basis sets of integer n-STOs are in good agreement with those in the previous literature. On the other hand, for the case of minimal basis sets of noninteger n-STOs, although the calculated total energies of these atoms agree well with the results in literature, some striking results have been obtained for atoms Ar and Kr. Our computational results for the energies of atoms Ar and Kr are slightly better than those in literature, by amount of 0.00222 and 0.000054 a.u., respectively. The improvement in the energies of atoms Ar and Kr may result from the efficient calculations of one-center two-electron integrals over noninteger n-STOs. For some atomic ions in their ground state,HFR calculations have been carried out using minimal basis sets of noninteger n-STOs. The obtained total energies for these atomic ions are substantially lower than those available in literature.

  15. 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.

  16. 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.

  17. Coherent Control of the Goos—Hänchen Shifts in a Four-Level N Type Atomic Medium

    Science.gov (United States)

    Parisa, Maboodi; Soheila, Hemmatzadeh; Seyyed, Hossein Asadpour; H. Rahimpour, Soleimani

    2014-12-01

    The behavior of the Goos—Hänchen (GH) shifts of the reflected and transmitted probe light beams is theoretically investigated. In a fixed geometrical configuration, the effect of quantum interference induced by spontaneous emission on the phase control of the GH shifts is analyzed in this paper. It is found that in a four-level N-type atomic system as an intracavity medium, the GH shifts of the reflected and transmitted probe light beam are completely phase dependent.

  18. Atomic and electronic structure of a Rashba p-n junction at the BiTeI surface

    OpenAIRE

    Tournier-Colletta, C.; Autes, G.; Kierren, B.; Bugnon, Ph.; Berger, H.; Fagot-Revurat, Y.; Yazyev, O. V.; Grioni, M.; Malterre, D.

    2014-01-01

    The non-centrosymmetric semiconductor BiTeI exhibits two distinct surface terminations that support spin-split Rashba surface states. Their ambipolarity can be exploited for creating spin-polarized $p$-$n$ junctions at the boundaries between domains with different surface terminations. We use scanning tunneling microscopy/spectroscopy (STM/STS) to locate such junctions and investigate their atomic and electronic properties. The Te- and I-terminated surfaces are identified owing to their disti...

  19. Efficient three-photon excitation of quasi-one-dimensional strontium Rydberg atoms with n ˜300

    Science.gov (United States)

    Ye, S.; Zhang, X.; Dunning, F. B.; Yoshida, S.; Hiller, M.; Burgdörfer, J.

    2014-07-01

    The efficient production of very-high-n, n ˜300, quasi-one-dimensional (quasi-1D) strontium Rydberg atoms through three-photon excitation of extreme Stark states in the presence of a weak dc field is demonstrated using a crossed laser-atom beam geometry. Strongly polarized quasi-1D states with large permanent dipole moments ˜1.2n2 a.u. can be created in the beam at densities (˜106 cm-3) where dipole blockade effects should become important. A further advantage of three-photon excitation is that the product F states are sensitive to the presence of external fields, allowing stray fields to be reduced to very small values. The experimental data are analyzed using quantum calculations based on a two-active-electron model together with classical trajectory Monte Carlo simulations. These allow determination of the atomic dipole moments and confirm that stray fields can be reduced to ≤25μV cm-1.

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

    Energy Technology Data Exchange (ETDEWEB)

    Thuvander, M.; Östberg, G. [Department of Applied Physics, Chalmers University of Technology, SE 412 96 Göteborg (Sweden); Ahlgren, M. [Sandvik Coromant, SE 126 80 Stockholm (Sweden); Falk, L.K.L., E-mail: lklfalk@chalmers.se [Department of Applied Physics, Chalmers University of Technology, SE 412 96 Göteborg (Sweden)

    2015-12-15

    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{sup +} and Si{sup 2+} at 14 Da. - Highlights: • A Ti–Si–Al–C–N coating/WC–Co substrate interface has been analysed by APT. • The TiN adhesion layer and the Ti–Al–N interlayer appeared to be anion deficient. • Intermixing of Co and Cr from the substrate was observed in the Ti–N adhesion layer. • The Ti–Si–Al–C–N coating displayed an undulating composition in the growth direction.

  1. 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.

  2. High-temperature catalytic reforming of n-hexane over supported and core-shell Pt nanoparticle catalysts: role of oxide-metal interface and thermal stability.

    Science.gov (United States)

    An, Kwangjin; Zhang, Qiao; Alayoglu, Selim; Musselwhite, Nathan; Shin, Jae-Youn; Somorjai, Gabor A

    2014-08-13

    Designing catalysts with high thermal stability and resistance to deactivation while simultaneously maintaining their catalytic activity and selectivity is of key importance in high-temperature reforming reactions. We prepared Pt nanoparticle catalysts supported on either mesoporous SiO2 or TiO2. Sandwich-type Pt core@shell catalysts (SiO2@Pt@SiO2 and SiO2@Pt@TiO2) were also synthesized from Pt nanoparticles deposited on SiO2 spheres, which were encapsulated by either mesoporous SiO2 or TiO2 shells. n-Hexane reforming was carried out over these four catalysts at 240-500 °C with a hexane/H2 ratio of 1:5 to investigate thermal stability and the role of the support. For the production of high-octane gasoline, branched C6 isomers are more highly desired than other cyclic, aromatic, and cracking products. Over Pt/TiO2 catalyst, production of 2-methylpentane and 3-methylpentane via isomerization was increased selectively up to 420 °C by charge transfer at Pt-TiO2 interfaces, as compared to Pt/SiO2. When thermal stability was compared between supported catalysts and sandwich-type core@shell catalysts, the Pt/SiO2 catalyst suffered sintering above 400 °C, whereas the SiO2@Pt@SiO2 catalyst preserved the Pt nanoparticle size and shape up to 500 °C. The SiO2@Pt@TiO2 catalyst led to Pt nanoparticle sintering due to incomplete protection of the TiO2 shells during the reaction at 500 °C. Interestingly, over the Pt/TiO2 catalyst, the average size of Pt nanoparticles was maintained even after 500 °C without sintering. In situ ambient pressure X-ray photoelectron spectroscopy demonstrated that the Pt/TiO2 catalyst did not exhibit TiO2 overgrowth on the Pt surface or deactivation by Pt sintering up to 600 °C. The extraordinarily high stability of the Pt/TiO2 catalyst promoted high reaction rates (2.0 μmol · g(-1) · s(-1)), which was 8 times greater than other catalysts and high isomer selectivity (53.0% of C6 isomers at 440 °C). By the strong metal-support interaction

  3. Preparation of organic/inorganic hybrid and hollow particles by catalytic deposition of silica onto core/shell heterocoagulates modified with poly[2-(N,N-dimethylamino)ethyl methacrylate].

    Science.gov (United States)

    Taniguchi, Tatsuo; Obi, Shun; Kamata, Yoshitada; Kashiwakura, Takuya; Kasuya, Masakatsu; Ogawa, Tatsuya; Kohri, Michinari; Nakahira, Takayuki

    2012-02-15

    The organic/inorganic hybrid particles PSt/P(St-CPEM)(θ)-g-PDMAEMA/SiO(2) were prepared by catalytic hydrolysis and subsequent polycondensation of tetraethoxysilane in the poly[2-(N,N-dimethylamino)ethyl methacrylate] (PDMAEMA) layers grafted on the PSt/P(St-CPEM)(θ) core/shell heterocoagulates. The micron-sized PSt core and the submicron-sized P(St-CPEM) shell particles bearing ATRP initiating groups were synthesized by dispersion polymerization of styrene (St) and emulsifier-free emulsion polymerization of St with 2-chloropropionyloxyethyl methacrylate (CPEM), respectively. The raspberry-shaped PSt/P(St-CPEM)(θ) heterocoagulates with a controlled surface coverage (θ=0.51, 0.81) were prepared by hydrophobic coagulation between the core and the shell particles in an aqueous NaCl solution near the T(g) of P(St-CPEM). Surface modification of heterocoagulates was carried out by ATRP of DMAEMA from the shell particles adsorbed on the core particles. Silica deposition was performed by simply adding tetraethoxysilane to a water/methanol dispersion of PSt/P(St-CPEM)(θ)-g-PDMAEMA. The SEM and TGA revealed that the resulting PSt/P(St-CPEM)(θ)-g-PDMAEMA/SiO(2) composites maintain a raspberry-like morphology after deposition of silica onto the PDMAEMA layer grafted on heterocoagulates. The micron-sized, raspberry-shaped or the submicron-sized, hole-structured silica hollow particles were obtained selectively by thermal decomposition of the PSt/P(St-CPEM)(θ)-g-PDMAEMA/SiO(2). The oriented particle array was fabricated by dropping anisotropically perforated silica particles onto a glass substrate settled at the bottom of a bottle filled with chloroform.

  4. 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)).

  5. Spontaneous core–shell elemental distribution in In-rich In(x)Ga1-xN nanowires grown by molecular beam epitaxy.

    Science.gov (United States)

    Gómez-Gómez, M; Garro, N; Segura-Ruiz, J; Martinez-Criado, G; Cantarero, A; Mengistu, H T; García-Cristóbal, A; Murcia-Mascarós, S; Denker, C; Malindretos, J; Rizzi, A

    2014-02-21

    The elemental distribution of self-organized In-rich In(x)Ga1-xN nanowires grown by plasma-assisted molecular beam epitaxy has been investigated using three different techniques with spatial resolution on the nanoscale. Two-dimensional images and elemental profiles of single nanowires obtained by x-ray fluorescence and energy-dispersive x-ray spectroscopy, respectively, have revealed a radial gradient in the alloy composition of each individual nanowire. The spectral selectivity of resonant Raman scattering has been used to enhance the signal from very small volumes with different elemental composition within single nanowires. The combination of the three techniques has provided sufficient sensitivity and spatial resolution to prove the spontaneous formation of a core–shell nanowire and to quantify the thicknesses and alloy compositions of the core and shell regions. A theoretical model based on continuum elastic theory has been used to estimate the strain fields present in such inhomogeneous nanowires. These results suggest new strategies for achieving high quality nonpolar heterostructures.

  6. NIF Double Shell outer-shell experiments

    Science.gov (United States)

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

    2016-10-01

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

  7. 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...

  8. Análisis y optimización de parámetros de proceso para la obtención de fibras poliméricas tipo core-shell mediante electrospinning coaxial

    OpenAIRE

    2016-01-01

    [ES] El alumno realizará la síntesis de un biopolímero elastomérico siguiendo la metodología conocida por los tutores. Posteriormente, se utilizarán diferentes polímeros comerciales con función de ¿recubrimiento exterior¿ para encapsular el biopolímero sintetizado mediante la técnica de electrospinning coaxial. Para ello, se analizarán las principales variables que influyen en el proceso de obtención de las fibras híbridas core-shell (ej., flujo de la disolución de cada polímero, voltaje, sol...

  9. Evidence of shell effects in the excitation function of 0.136-MeV isomeric state populated in the 93Nb (n,2n) 92Nbm reaction

    Science.gov (United States)

    Gul, K.

    2004-09-01

    Calculation for the excitation function of 0.136-MeV ( 2+ ) isomeric state in 92Nb has been carried out using Hauser-Feshbach and pre-equilibrium nuclear reaction models in 10 20 MeV energy range. A satisfactory agreement between the calculation and measurements requires the suppression of contribution from the negative-parity doublet consisting of the 0.226-MeV ( 2- ) and 0.390-MeV ( 3- ) states in 92Nb . This can be explained on the basis of highly retarded gamma transitions of higher energy states to the negative-parity doublet on account of its different shell model configuration compared to the shell model configuration of positive-parity states.

  10. 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.

  11. 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

  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. Experimental measurements of water molecule binding energies for the second and third solvation shells of [Ca(H2O)n]2+ complexes

    Science.gov (United States)

    Bruzzi, E.; Stace, A. J.

    2017-01-01

    Further understanding of the biological role of the Ca2+ ion in an aqueous environment requires quantitative measurements of both the short- and long-range interactions experienced by the ion in an aqueous medium. Here, we present experimental measurements of binding energies for water molecules occupying the second and, quite possibly, the third solvation shell surrounding a central Ca2+ ion in [Ca(H2O)n]2+ complexes. Results for these large, previously inaccessible, complexes have come from the application of finite heat bath theory to kinetic energy measurements following unimolecular decay. Even at n = 20, the results show water molecules to be more strongly bound to Ca2+ than would be expected just from the presence of an extended network of hydrogen bonds. For n > 10, there is very good agreement between the experimental binding energies and recently published density functional theory calculations. Comparisons are made with similar data recorded for [Ca(NH3)n]2+ and [Ca(CH3OH)n]2+ complexes.

  14. 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

  15. 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.

  16. 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.

  17. 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

  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. 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.

  20. 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.)

  1. Laser and decay spectroscopy of the short-lived isotope 214Fr in the vicinity of the N =126 shell closure

    Science.gov (United States)

    Farooq-Smith, G. J.; Cocolios, T. E.; Billowes, J.; Bissell, M. L.; Budinčević, I.; Day Goodacre, T.; de Groote, R. P.; Fedosseev, V. N.; Flanagan, K. T.; Franchoo, S.; Garcia Ruiz, R. F.; Heylen, H.; Li, R.; Lynch, K. M.; Marsh, B. A.; Neyens, G.; Rossel, R. E.; Rothe, S.; Stroke, H. H.; Wendt, K. D. A.; Wilkins, S. G.; Yang, X. F.

    2016-11-01

    Combined decay and laser spectroscopy measurements of the isotope 214Fr are reported, using the collinear resonance ionization spectroscopy (CRIS) technique at the ISOLDE facility at CERN. For the Iπ=( 1- ) spin assignment, the g -factor value of g (214Fr)=+0.241 (16 ) corresponds to a relatively pure (π 1 h9 /2 ⊗ ν 2 g9 /2 ) ground-state configuration. An alternative interpretation with g (214Fr)=+0.144 (10 ) , for a (2-) spin assignment suggests a greater contribution of configuration mixing with the ν 1 i11 /2 orbital. As the N =126 shell closure is passed, a kink is observed at the δ 213 ,214 value, which is analogous to the behavior observed in the neighboring isotopic chains.

  2. Piezo-Phototronic Effect Enhanced Flexible Solar Cells Based on n-ZnO/p-SnS Core-Shell Nanowire Array.

    Science.gov (United States)

    Zhu, Laipan; Wang, Longfei; Xue, Fei; Chen, Libo; Fu, Jianqiang; Feng, Xiaolong; Li, Tianfeng; Wang, Zhong Lin

    2017-01-01

    The piezo-phototronic effect is about the enhanced separation, transport, and recombination of the photogenerated carriers using the piezoelectric polarization charges present in piezoelectric-semiconductor materials. Here, it is presented that the piezo-phototronic effect can be effectively applied to improve the relative conversion efficiency of a flexible solar cell based on n-ZnO/p-SnS core-shell nanowire array for 37.3% under a moderate vertical pressure. The performance of the solar cell can be effectively enhanced by a gentle bending of the device, showing its potential for application in curly geometries. This study not only adds further understanding about the concept of increasing solar energy conversion efficiency via piezo-phototronic effect, but also demonstrates the great potential of piezo-phototronic effect in the application of large-scale, flexible, and lightweight nanowire array solar cells.

  3. Completely transparent ohmic electrode on p-type AlGaN for UV LEDs with core-shell Cu@alloy nanosilk network (Conference Presentation)

    Science.gov (United States)

    Cai, Duanjun; Wang, Huachun; Huang, Youyang; Wu, Chenping; Chen, Xiaohong; Gao, Na; Wei, Tongbo T.; Wang, Junxi; Li, Shuping; Kang, Junyong

    2016-09-01

    Metal nanowire networks hold a great promise, which have been supposed the only alternative to ITO as transparent electrodes for their excellent performance in touch screen, LED and solar cell. It is well known that the difficulty in making transparent ohmic electrode to p-type high-Al-content AlGaN conducting layer has highly constrained the further development of UV LEDs. On the IWN-2014, we reported the ohmic contact to n, p-GaN with direct graphene 3D-coated Cu nanosilk network and the fabrication of complete blue LED. On the ICNS-2015, we reported the ohmic contact to n-type AlGaN conducting layer with Cu@alloy nanosilk network. Here, we further demonstrate the latest results that a novel technique is proposed for fabricating transparent ohmic electrode to high-Al-content AlGaN p-type conducting layer in UV LEDs using Cu@alloy core-shell nanosilk network. The superfine copper nanowires (16 nm) was synthesized for coating various metals such as Ni, Zn, V or Ti with different work functions. The transmittance showed a high transparency (> 90%) over a broad wavelength range from 200 to 3000 nm. By thermal annealing, ohmic contact was achieved on p-type Al0.5Ga0.5N layer with Cu@Ni nanosilk network, showing clearly linear I-V curve. By skipping the p-type GaN cladding layer, complete UV LED chip was fabricated and successfully lit with bright emission at 276 nm.

  4. Simultaneous sonosynthesis and sonofabrication of N-doped ZnO/TiO2 core-shell nanocomposite on wool fabric: Introducing various properties specially nano photo bleaching.

    Science.gov (United States)

    Behzadnia, Amir; Montazer, Majid; Rad, Mahnaz Mahmoudi

    2015-11-01

    In this study, N-doped ZnO/TiO2 core-shell nanocomposite was successfully sonosynthesized and sonofabricated on wool fabric through a facile one-step method under ambient pressure and low temperature (75-80°C) as a novel photo-catalyst nanocomposite on textile material. The differences between crystalline phase transformation of conventional and ultrasound synthesized N-ZnO/TiO2 has been compared. The influence of different zinc acetate and titanium isopropoxide precursors in the formation of nanocomposite was studied and optimized through response surface methodology. The photocatalytic activity of the sonofabricated catalyst on the wool fabric surface was evaluated through decomposition of Methylene Blue as a model compound under sunlight irradiation. Also, N-doped ZnO/TiO2 nanocomposite sonosynthesized on wool fabric led to photo bleaching of wool fabric due to decomposition of the naturally occurred pigments under daylight irradiation. Further, yellowness index, antibacterial and antifungal activity against Escherichia coli, Staphylococcus aureus and Candida albicans, cell viability, char residual, alkali solubility, mechanical properties and water drop absorption time on the treated wool fabrics were evaluated. Also, the acid solubility of the synthesized nanopowder obtained from sonobath after treatment was characterized in acetic acid indicating higher acid resistance on N-doped ZnO/TiO2 nanocomposite.

  5. Enhanced effect of diffused Ohmic contact metal atoms for device scaling in AlGaN/GaN heterostructure field-effect transistors

    Science.gov (United States)

    Liu, Huan; Cheng, Aijie; Lin, Zhaojun; Cui, Peng; Liu, Yan; Fu, Chen; Lv, Yuanjie; Feng, Zhihong; Luan, Chongbiao

    2017-03-01

    Using measured capacitance-voltage and current-voltage curves for the AlGaN/GaN heterostructure field-effect transistors with different source-drain spacing, the electron mobility under the gate region was obtained. By comparing mobility variation and analyzing polarization charge distribution, it is found that with device scaling, the effect of the diffused Ohmic contact metal atoms on the electron mobility is enhanced. Then, a theoretical calculation related to different scattering mechanisms was adopted and it was verified this enhanced effect is due to the enhanced polarization Coulomb field (PCF) scattering.

  6. Fermi level de-pinning of aluminium contacts to n-type germanium using thin atomic layer deposited layers

    Energy Technology Data Exchange (ETDEWEB)

    Gajula, D. R., E-mail: dgajula01@qub.ac.uk; Baine, P.; Armstrong, B. M.; McNeill, D. W. [School of Electronics, Electrical Engineering and Computer Science, Queen' s University Belfast, Ashby Building, Stranmillis Road, Belfast BT9 5AH (United Kingdom); Modreanu, M.; Hurley, P. K. [Tyndall National Institute, University College Cork, Lee Maltings, Cork (Ireland)

    2014-01-06

    Fermi-level pinning of aluminium on n-type germanium (n-Ge) was reduced by insertion of a thin interfacial dielectric by atomic layer deposition. The barrier height for aluminium contacts on n-Ge was reduced from 0.7 eV to a value of 0.28 eV for a thin Al{sub 2}O{sub 3} interfacial layer (∼2.8 nm). For diodes with an Al{sub 2}O{sub 3} interfacial layer, the contact resistance started to increase for layer thicknesses above 2.8 nm. For diodes with a HfO{sub 2} interfacial layer, the barrier height was also reduced but the contact resistance increased dramatically for layer thicknesses above 1.5 nm.

  7. 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.

  8. 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.

  9. Damage creation in silicon single crystals irradiated with 200 keV/atom Au{sub n}{sup +} clusters

    Energy Technology Data Exchange (ETDEWEB)

    Canut, B. E-mail: bruno.canut@dpmsun1.univ-lyon1.fr; Fallavier, M.; Marty, O.; Ramos, S.M.M

    2000-04-01

    Silicon wafers of (1 0 0) orientation were irradiated with Au{sub n} cluster beams (1{<=}n{<=}7) produced by the 2.5 MV Van de Graaff accelerator of the Institut de Physique Nucleaire de Lyon equipped with a liquid metal source. The incident energy was of 200 keV per gold atom, which corresponds to a slowing-down mainly governed by elastic processes (nuclear energy loss of Au{sup +} ions: 3 keV nm{sup -1}). All the irradiations were performed at room temperature with fluences up to 5x10{sup 14} Au (at. cm{sup -2}). The typical beam currents varied from 1.5 nA for Au{sup +} down to 20 pA for Au{sub 7}{sup +}. The radiation-induced disorder was measured by means of Rutherford backscattering spectrometry in channeling geometry (RBS-C), using a {sup 4}He{sup +} beam accelerated at 2 MV. From the fluence evolution of the lattice disorder at the target surface, we evidence that polyatomic projectiles produce more defects per incident atom than single Au{sup +} ions. As an example we measured damage cross-sections per incident Au atom of 12.5 and 2.7 nm{sup 2} for Au{sub 7}{sup +} and Au{sup +} projectiles, respectively. This cluster effect was ascribed to the high density of nuclear energy deposited within the cascade. Transmission electron microscopy (TEM) was performed on samples irradiated at low fluences (10{sup 9} at. cm{sup -2}) in order to visualize each projectile impact.

  10. 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.

  11. Shell Analysis Manual

    Science.gov (United States)

    1968-04-01

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

  12. 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.

  13. 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...

  14. 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.

  15. Atomic Layer Deposition of Ruthenium with TiN Interface for Sub-10 nm Advanced Interconnects beyond Copper

    DEFF Research Database (Denmark)

    Wen, Liang Gong; Roussel, Philippe; Pedreira, Olalla Varela

    2016-01-01

    Atomic layer deposition of ruthenium is studied as a barrierless metallization solution for future sub-10 nm interconnect technology nodes. We demonstrate the void-free filling in sub-10 nm wide single damascene lines using an ALD process in combination with 2.5 angstrom of ALD TiN interface and po......'stdeposition annealing. At such small dimensions, the ruthenium effective resistance depends less on the scaling than that of Cu/barrier systems. Ruthenium effective resistance potentially crosses the Cu curve at 14 and 10 nm according to the semiempirical interconnect resitance model for advanced technology nodes...

  16. 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.

  17. The Correlation of the N{sub A} Measurements by Counting {sup 28}Si Atoms

    Energy Technology Data Exchange (ETDEWEB)

    Mana, G., E-mail: g.mana@inrim.it; Massa, E.; Sasso, C. P. [INRIM—Istituto Nazionale di Ricerca Metrologica, Str. delle Cacce 91, 10135 Torino (Italy); Stock, M. [BIPM—Bureau International des Poids et Mesures BIPM, Pavillon de Breteuil, 92312 Sèvres Cedex (France); Fujii, K.; Kuramoto, N.; Mizushima, S.; Narukawa, T. [NMIJ—National Metrology Institute of Japan, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8563 (Japan); Borys, M.; Busch, I.; Nicolaus, A.; Pramann, A. [PTB—Physikalisch-Technische Bundesanstalt, Bundesallee 100, 38116 Braunschweig (Germany)

    2015-09-15

    An additional value of the Avogadro constant was obtained by counting the atoms in isotopically enriched Si spheres. With respect to the previous determination, the spheres were etched and repolished to eliminate metal contaminations and to improve the roundness. In addition, all the input quantities—molar mass, lattice parameter, mass, and volume—were remeasured aiming at a smaller uncertainty. In order to make the values given in Andreas et al. [Metrologia 48, S1 (2011)] and Azuma et al. [Metrologia 52, 360 (2015)] usable for a least squares adjustment, we report about the estimate of their correlation.

  18. The role of atomic excited states of Au on N2O capture and activation: a multireference second-order perturbation theory study.

    Science.gov (United States)

    Olvera-Neria, Oscar; Bertin, Virineya; Poulain, Enrique

    2010-12-28

    Nitrous oxide (N(2)O) is an intermediate compound formed during catalysis occurring in automobile exhaust pipes. Atomic Au in its ground state is unable to react with N(2)O, however, several Au excited states are bound to N(2)O, but not all of these states are able to activate N(2)O bonds. In this work, N(2)O capture and activation by a single Au atom are studied considering Au in the ground and excited states with multiplicities = 2, 4 and 6. The Au + N(2)O reactions are studied at multireference second-order perturbation level of theory using C(s) symmetry. The AuN(2)O ((4)A', (4)A'', (6)A' and (6)A'') adducts are spontaneously created from Au excited states. From these complexes, only the (4)A', (6)A' and (6)A'' states exhibit N(2)O activation reaction paths yielding N(2,) NO and O atoms as end products when N(2)O approaches Au excited states side-on. Cations both ground and excited states, capture N(2)O although only the Au(+) ((5)A') + N(2)O ((1)Σ(+)) → NAuNO(+) ((5)A') reaction (for the end-on and side-on approaches) shows N(2)O activation with N-N bond breaking. In the case of Au anions, the ground state and most of the excited states capture N(2)O and activation takes place according to Au(-) ((3)A', (5)A', (5)A'') + N(2)O ((1)Σ(+)) → AuO(-) ((3)A', (5)A', (5)A'') + N(2)(g) for the N(2)O end-on approach by the oxygen atom. The reaction paths show a metal-gas dative covalent bonding character. Mulliken charge population analysis obtained for the active states shows that the binding is done through charge donation and retro-donation between the metal and the N(2)O molecule.

  19. The uncompetitive N-methyl-D-aspartate antagonist memantine reduces binge-like eating, food-seeking behavior, and compulsive eating: role of the nucleus accumbens shell.

    Science.gov (United States)

    Smith, Karen L; Rao, Rahul R; Velázquez-Sánchez, Clara; Valenza, Marta; Giuliano, Chiara; Everitt, Barry J; Sabino, Valentina; Cottone, Pietro

    2015-03-13

    Binge-eating disorder is characterized by excessive, uncontrollable consumption of palatable food within brief periods of time. The role of the glutamatergic N-methyl-D-aspartate (NMDA) receptor system in hedonic feeding is poorly understood. The aim of this study was to characterize the effects of the uncompetitive NMDA receptor antagonist memantine on palatable food-induced behavioral adaptations using a rat model, which mimics the characteristic symptomatology observed in binge-eating disorder. For this purpose, we allowed male Wistar rats to respond to obtain a highly palatable, sugary diet (Palatable group) or a regular chow diet (Chow control group), for 1 h a day, under a fixed-ratio 1 (FR1) schedule of reinforcement. Upon stabilization of food responding, we tested the effects of memantine on the Chow and Palatable food groups' intake. Then, we tested the effects of memantine on food-seeking behavior, under a second-order schedule of reinforcement. Furthermore, we investigated the effects of memantine on the intake of food when it was offered in an aversive, bright compartment of a light/dark conflict test. Finally, we evaluated the effects of memantine on FR1 responding for food, when microinfused into the nucleus accumbens (NAcc) shell or core. Memantine dose-dependently decreased binge-like eating and fully blocked food-seeking behavior and compulsive eating, selectively in the Palatable food group. The drug treatment did not affect performance of the control Chow food group. Finally, intra-NAcc shell, but not core, microinfusion of memantine decreased binge-like eating. Together, these findings substantiate a role of memantine as a potential pharmacological treatment for binge-eating disorder.

  20. Photoinitiated H- and D-atom reactions with N2O in the gas phase and in N2O-HI and N2O-DI complexes

    Science.gov (United States)

    Böhmer, E.; Shin, S. K.; Chen, Y.; Wittig, C.

    1992-08-01

    Reactions of H atoms with N2O have two product channels yielding NH+NO and OH+N2. Both channels were observed via NH A 3Π←X 3∑ and OH A 2∑←X 2Π laser-induced fluorescence spectra. Photoinitiated reactions with N2O-HI complexes yield a much lower [NH]/[OH] ratio than under the corresponding bulk conditions at the same photolysis wavelength. For hot D-atom reactions with N2O, this effect is somewhat more pronounced. These results can be interpreted in terms of entrance channel geometric specificity, namely, biasing hydrogen attack toward the oxygen. Another striking observation is that the OH and OD rotational level distributions (RLD) obtained under bulk conditions differ markedly from those obtained under complexed conditions, while the NH as well as the ND RLD are similar for the two environments. In addition, OH Doppler profiles change considerably in going from bulk to complexed conditions, while such an effect is not observed for NH. The changes observed with the OH RLD are most likely due to OH-halogen interactions and/or entrance channel specificity. Under bulk conditions, the Doppler shift measurements indicate a large amount of N2 internal excitation (i.e., ˜25 000 cm-1) for the OH (v=0) levels monitored. This is consistent with a reaction mechanism involving an HNNO° intermediate. The hot hydrogen atom first attaches to the terminal nitrogen of N2O and forms an excited HNNO° intermediate having a relatively elongated N-N bond compared with N2O. Then the H atom migrates from nitrogen to oxygen and exits to the N2+OH product channel, leaving N2 vibrationally excited. A simple Franck-Condon model can reconcile quantitatively the large amount of N2 vibrational excitation.

  1. 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.

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

    Science.gov (United States)

    Teruya, Eri; Yoshinaga, Naotaka; Higashiyama, Koji

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

  3. 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

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. 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...

  9. 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

    , thus preserving long-term creep strength. This can be done by alloying with Ta instead of Nb and V. Recent investigations have indicated a direct transformation of MN into CrMN to take place, not the traditional nucleation/dissolution process. In this paper atomic resolution microscopy shows how Cr......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...... strength of the steel. The Cr content promotes Z-phase precipitation, making MN strengthening of these materials unfeasible, since 12%Cr is necessary for oxidation resistance. The authors have suggested an acceleration of Z-phase precipitation to obtain a fine and stable distribution of CrMN instead of MN...

  10. 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.

  11. 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...

  12. Electronic transitions in highly charged ion-atom collisions

    Science.gov (United States)

    Schmidt-Böcking, H.; Ullrich, J.; Schuch, R.; Olson, R. E.; Dörner, R.

    1989-09-01

    Three different aspects of electronic transitions in fast, highly charged ion-atom collisions are discussed. First, experimental data and n-CTMC calculations for differential multiple ionization cross sections of 1.4 {MeV}/{u} U 32+on rare gas atoms are presented. It is shown that the electronic motion has a dramatic influence on the kinematics of the emitted particles (in particular the nuclei). The possibility is discussed to measure in fast ionizing processes by a recoil ion-projectile coincidence technique the internal sum momentum of "electron clusters" in atoms. This new "technique" opens a new field of atomic structure research at high-energy heavy-ion accelerators. Second, the use of the H-like heavy ions as projectiles is discussed to measure, through observable interference structures, static and dynamic properties of transiently formed superheavy quasimolecular systems. Third, the "ancient" gas target-solid target difference in the impact-parameter dependence of K-shell ionization in nearly symmetric ion-atom collisions is presented. This severe discrepancy between gas and solid still remains an unsolved fundamental problem in the field of inner-shell ionization in the MO regime.

  13. 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.

  14. Two-atom Rydberg blockade using direct 6S to nP excitation

    Science.gov (United States)

    Hankin, A. M.; Jau, Y.-Y.; Parazzoli, L. P.; Chou, C. W.; Armstrong, D. J.; Landahl, A. J.; Biedermann, G. W.

    2014-03-01

    We explore a single-photon approach to Rydberg state excitation and Rydberg blockade. Using detailed theoretical models, we show the feasibility of direct excitation, predict the effect of background electric fields, and calculate the required interatomic distance to observe Rydberg blockade. We then measure and control the electric field environment to enable coherent control of Rydberg states. With this coherent control, we demonstrate Rydberg blockade of two atoms separated by 6.6(3) μm. When compared with the more common two-photon excitation method, this single-photon approach is advantageous because it eliminates channels for decoherence through photon scattering and ac Stark shifts from the intermediate state while moderately increasing Doppler sensitivity.

  15. 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.

  16. Multiple shells in IRC+10216: shell properties

    Science.gov (United States)

    Mauron, N.; Huggins, P. J.

    2000-07-01

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

  17. Strontium clusters: electronic and geometry shell effects

    DEFF Research Database (Denmark)

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

    2008-01-01

    is governed by an interplay of the electronic and geometry shell closures. Influence of the electronic shell effects on structural rearrangements can lead to violation of the icosahedral growth motif of strontium clusters. It is shown that the excessive charge essentially affects the optimized geometry......The optimized structure and electronic properties of neutral, singly and doubly charged strontium clusters have been investigated using it ab initio theoretical methods based on density-functional theory. We have systematically calculated the optimized geometries of neutral, singly and doubly...... charged strontium clusters consisting of up to 14 atoms, average bonding distances, electronic shell closures, binding energies per atom, and spectra of the density of electronic states (DOS). It is demonstrated that the size-evolution of structural and electronic properties of strontium clusters...

  18. 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

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. Calculated cross sections for the single ionization of atoms (N, Cu, As, Se, Sn, Sb, Te, I, Pb) by electron impact

    Institute of Scientific and Technical Information of China (English)

    Hou Yu-Jun; Cheng Xin-Lu; Chen Heng-Jie

    2009-01-01

    By correcting some primary parameters in the semi-classical Deutsch-Mark (DM) formula, this paper calculates the absolute single electron-impact ionization cross sections of atoms N, Cu, As, Se, Sn, Sb, Te, I and Pb from threshold to 10000 eV. The calculated cross sections are compared with available experimental data and other theoretical results. An excellent agreement was achieved between the calculated and measured cross sections for these atoms over a wide range of impact energies.

  5. 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.

  6. Template-free synthesis of core-shell TiO2 microspheres covered with high-energy {116}-facet-exposed N-doped nanosheets and enhanced photocatalytic activity under visible light.

    Science.gov (United States)

    Chen, Qifeng; Ren, Baosheng; Zhao, Yubao; Xu, Xun; Ge, Heyi; Guan, Ruifang; Zhao, Jincai

    2014-12-15

    Core-shell TiO2 microspheres possess a unique structure and interesting properties, and therefore, they have received much attention. The high-energy facets of TiO2 also are being widely studied for the high photocatalytic activities they are associated with. However, the synthesis of the core-shell structure is difficult to achieve and requires multiple-steps and/or is expensive. Hydrofluoric acid (HF), which is highly corrosive, is usually used in the controlling high-energy facet production. Therefore, it is still a significant challenge to develop low-temperature, template-free, shape-controlled, and relative green self-assembly routes for the formation of core-shell-structured TiO2 microspheres with high-energy facets. Here, we report a template- and hydrofluoric acid free solvothermal self-assembly approach to synthesize core-shell TiO2 microspheres covered with high-energy {116}-facet-exposed nanosheets, an approach in which 1,4-butanediamine plays a key role in the formation of nanosheets with exposed {116} facets and the doping of nitrogen in situ. In the structure, nanoparticle aggregates and nanosheets with {116} high-energy facets exposed act as core and shell, respectively. The photocatalytic activity for degradation of 2,4,6-tribromophenol and Rhodamine B under visible irradiation and UV/Vis irradiation has been examined, and improved photocatalytic activity under visible light owing to the hierarchical core-shell structure, {116}-plane-oriented nanosheets, in situ N doping, and large surface areas has been found.

  7. The annealing of interstitial carbon atoms in high-resistivity n-type silicon after proton irradiation

    CERN Document Server

    Kuhnke, M; Lindström, G

    2002-01-01

    The annealing of interstitial carbon C sub i after 7-10 MeV and 23 GeV proton irradiations at room temperature in high-resistivity n-type silicon is investigated. Deep level transient spectroscopy is used to determine the defect parameters. The annealing characteristics of the impurity defects C sub i , C sub i C sub s , C sub i O sub i and VO sub i suggest that the mobile C sub i atoms are also captured at divacancy VV sites at the cluster peripheries and not only at C sub s and O sub i sites in the silicon bulk. The deviation of the electrical filling characteristic of C sub i from the characteristic of a homogeneously distributed defect can be explained by an aggregation of C sub i atoms in the environment of the clusters. The capture rate of electrons into defects located in the cluster environment is reduced due to a positive space charge region surrounding the negatively charged cluster core. The optical filling characteristic of C sub i suggests that the change of the triangle-shaped electric field dis...

  8. 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.

  9. 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.

  10. 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.

  11. 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...

  12. A novel paramyxean parasite, Marteilia octospora n. sp. (Cercozoa) infecting the Grooved Razor Shell clam Solen marginatus from Galicia (NW Spain).

    Science.gov (United States)

    Ruiz, Maite; López, Carmen; Lee, Ren-Shiang; Rodríguez, Rosana; Darriba, Susana

    2016-03-01

    Protozoan parasites of the genus Marteilia have been detected in marine bivalves and other invertebrates around the world, associated in some cases with mass mortalities. The present paper reports the characterization of the Marteilia sp. protozoan infecting the digestive gland of the Grooved Razor Shell clam (Solen marginatus) from Galicia (NW Spain), proposing a novel species in the genus: Marteilia octospora n. sp. Morphological and molecular techniques were used for the description of this parasite. Tissue imprints were essential in the study to confirm the presence of 8 spores per sporangium, a number never reported in other species from this genus. An ultrastructural study revealed that the size and number of dense granules, free in the mature sporangia, were quite different from granules in other Marteilia spp. Another morphological difference is the absence of a layer of concentric membranes found surrounding the mature spore in other species. In addition, concentric membranous structures observed in the different stages of the parasite have never been mentioned in other species of genus Marteilia. Moreover, molecular analysis of the rDNA intergenic spacer (IGS) and the internal transcribed spacer (ITS-1) showed differences with the sequences available for other Marteilia spp.

  13. 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.

  14. Doping the alkali atom: an effective strategy to improve the electronic and nonlinear optical properties of the inorganic Al12N12 nanocage.

    Science.gov (United States)

    Niu, Min; Yu, Guangtao; Yang, Guanghui; Chen, Wei; Zhao, Xingang; Huang, Xuri

    2014-01-06

    Under ab initio computations, several new inorganic electride compounds with high stability, M@x-Al12N12 (M = Li, Na, and K; x = b66, b64, and r6), were achieved for the first time by doping the alkali metal atom M on the fullerene-like Al12N12 nanocage, where the alkali atom is located over the Al-N bond (b66/b64 site) or six-membered ring (r6 site). It is revealed that independent of the doping position and atomic number, doping the alkali atom can significantly narrow the wide gap between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) (EH-L = 6.12 eV) of the pure Al12N12 nanocage in the range of 0.49-0.71 eV, and these doped AlN nanocages can exhibit the intriguing n-type characteristic, where a high energy level containing the excess electron is introduced as the new HOMO orbital in the original gap of pure Al12N12. Further, the diffuse excess electron also brings these doped AlN nanostructures the considerable first hyperpolarizabilities (β0), which are 1.09 × 10(4) au for Li@b66-Al12N12, 1.10 × 10(4), 1.62 × 10(4), 7.58 × 10(4) au for M@b64-Al12N12 (M = Li, Na, and K), and 8.89 × 10(5), 1.36 × 10(5), 5.48 × 10(4) au for M@r6-Al12N12 (M = Li, Na, and K), respectively. Clearly, doping the heavier Na/K atom over the Al-N bond can get the larger β0 value, while the reverse trend can be observed for the series with the alkali atom over the six-membered ring, where doping the lighter Li atom can achieve the larger β0 value. These fascinating findings will be advantageous for promoting the potential applications of the inorganic AlN-based nanosystems in the new type of electronic nanodevices and high-performance nonlinear optical (NLO) materials.

  15. Spin-orbit and rotational couplings in radiative association of C(3P) and N(4S) atoms.

    Science.gov (United States)

    Antipov, Sergey V; Gustafsson, Magnus; Nyman, Gunnar

    2011-11-14

    The role of spin-orbit and rotational couplings in radiative association of C((3)P) and N((4)S) atoms is investigated. Couplings among doublet electronic states of the CN radical are considered, giving rise to a 6-state model of the process. The solution of the dynamical problem is based on the L(2) method, where a complex absorbing potential is added to the Hamiltonian operator in order to treat continuum and bound levels in the same manner. Comparison of the energy-dependent rate coefficients calculated with and without spin-orbit and rotational couplings shows that the couplings have a strong effect on the resonance structure and low-energy baseline of the rate coefficient.

  16. 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.

  17. Reaction of N({sup 2}D) atoms with bromomethyl radicals: A theoretical study

    Energy Technology Data Exchange (ETDEWEB)

    Cimas, A. [Departamento de Quimica Fisica, Facultad de Ciencias, Universidad de Valladolid, 47005 Valladolid (Spain); Rayon, V.M. [Departamento de Quimica Fisica, Facultad de Ciencias, Universidad de Valladolid, 47005 Valladolid (Spain); Barrientos, C. [Departamento de Quimica Fisica, Facultad de Ciencias, Universidad de Valladolid, 47005 Valladolid (Spain); Aschi, M. [Dipartimento di Chimica, Ingegneria Chimica e Materiali, Universita di L' Aquila, Via Vetoio (Coppito 2), I-67010 L' Aquila (Italy); Sordo, J.A. [Laboratorio de Quimica Computacional, Departamento de Quimica Fisica y Analitica, Facultad de Quimica, Universidad de Oviedo, 33006 Oviedo (Spain); Largo, A. [Departamento de Quimica Fisica, Facultad de Ciencias, Universidad de Valladolid, 47005 Valladolid (Spain)], E-mail: alargo@qf.uva.es

    2006-09-29

    The singlet potential energy surface for the N({sup 2}D) + CH{sub 2}Br reaction has been studied employing both MP2 and DFT(B3LYP) methods. The energies of the involved species have been refined using the G2, CBS and CCSD(T) methods, respectively. The reaction proceeds through the formation of an initial intermediate which does not involve any activation barrier. Based on the singlet PES, the most exothermic products result from elimination of either HBr or H{sub 2}, instead of elimination of either Br or H. The preferred channel is predicted to be HCN + HBr. The analysis of the possible spin crossing between the triplet and singlet [CH{sub 2}NBr] potential surfaces suggests that the N({sup 4}S) + CH{sub 2}Br reaction should take place with no change in the spin angular momentum.

  18. Electron impact total (elastic + inelastic) cross sections with simple molecules consisting of N & O atoms at 100- 1600 eV

    Institute of Scientific and Technical Information of China (English)

    Jinfeng Sun(孙金锋); Deheng Shi(施德恒); Zunlue Zhu (朱遵略); Yufang Liu (刘玉芳)

    2003-01-01

    A model complex optical potential rewritten by the conception of bonded atom, which considers the overlapping effect of electron cloud, is employed to calculate the total (elastic + inelastic) cross sections with simple molecules (N2, O2, NO2, NO, N2O) consisting of N & O atoms over an incident energy range of 100 - 1600 Ev by the use of additivity rule at Roothaan-Hartree-Fock level. In the study, the complex optical potential composed of static, exchange, correlation polarization plus absorption contributions firstly uses bonded-atom conception. The qualitative results are compared with experimental data and other calculations wherever available and good agreement is obtained. The total cross sections of electronmolecule scattering above 100 Ev can be successfully calculated.

  19. 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.

  20. Spin Polarization of Rb and Cs n p P2 3/2 (n =5 , 6) Atoms by Circularly Polarized Photoexcitation of a Transient Diatomic Molecule

    Science.gov (United States)

    Mironov, A. E.; Hewitt, J. D.; Eden, J. G.

    2017-03-01

    We report the selective population of Rb or Cs n p P2 3/2 (n =5 , 6; F =4 , 5) hyperfine states by the photodissociation of a transient, alkali-rare gas diatomic molecule. Circularly polarized (σ-), amplified spontaneous emission (ASE) on the D2 line of Rb or Cs (780.0 and 852.1 nm, respectively) is generated when Rb-Xe or Cs-Xe ground state collision pairs are photoexcited by a σ+-polarized optical field having a wavelength within the D2 blue satellite continuum, associated with the B Σ2 1/2 +←X Σ2 1/2 + (free←free ) transition of the diatomic molecule. The degree of spin polarization of Cs (6 p P3/2 2 ), specifically, is found to be dependent on the interatomic distance (R ) at which the excited complex is born, a result attributed to the structure of the B Σ2 1/2 + state. For Cs-Xe atomic pairs, tuning the wavelength of the optical field from 843 to 848 nm varies the degree of circular polarization of the ASE from 63% to almost unity because of the perturbation, in the 5 ≤R ≤6 Å interval, of the Σ2 1/2 + potential by a d σ molecular orbital associated with a higher Λ 2 electronic state. Monitoring only the Cs 6 p P3/2 2 spin polarization reveals a previously unobserved interaction of CsXe (B Σ2 1/2 + ) with the lowest vibrational levels of a Λ 2 state derived from Cs (5 d )+Xe . By inserting a molecular intermediate into the alkali atom excitation mechanism, these experiments realize electronic spin polarization through populating no more than two n p P2 3/2 hyperfine states, and demonstrate a sensitive spectroscopic probe of R -dependent state-state interactions and their impact on interatomic potentials.

  1. 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 ...

  2. Shell structure at N=28 near the dripline: spectroscopy of $^{42}$Si, $^{43}$P and $^{44}$S

    CERN Document Server

    Fridmann, J; Bazin, D; Brown, B A; Campbell, C M; Cook, J M; Cottle, P D; Diffenderfer, E; Dinca, D C; Gade, A; Glasmacher, T; Hansen, P G; Kemper, K W; Lecouey, J L; Müller, W F; Rodriguez-Vieitez, E; Terry, J R; Tostevin, J A; Wiedenhöver, I; Yoneda, K; Zwahlen, H

    2006-01-01

    Measurements of the N=28 isotones 42Si, 43P and 44S using one- and two-proton knockout reactions from the radioactive beam nuclei 44S and 46Ar are reported. The knockout reaction cross sections for populating 42Si and 43P and a 184 keV gamma-ray observed in 43P establish that the d_{3/2} and s_{1/2} proton orbits are nearly degenerate in these nuclei and that there is a substantial Z=14 subshell closure separating these two orbits from the d_{5/2} orbit. The increase in the inclusive two-proton knockout cross section from 42Si to 44S demonstrates the importance of the availability of valence protons for determining the cross section. New calculations of the two-proton knockout reactions that include diffractive effects are presented. In addition, it is proposed that a search for the d_{5/2} proton strength in 43P via a higher statistics one-proton knockout experiment could help determine the size of the Z=14 closure.

  3. 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.

  4. Variations of dispersion and transparency in four level N-scheme atomic systems

    Science.gov (United States)

    Abi-Salloum, T. Y.; Snell, S.; Davis, J. P.; Narducci, F. A.

    2011-12-01

    Systems that exhibit positive and negative dispersion are of interest for numerous applications especially when accompanied by transparency. In this work, we study the variation of the sign of the dispersion in the case of a four-level 'N-Scheme' system. The different dynamics of the sign and value of dispersion and transparency are first explored in light of three resonances that we have previously introduced, then studied as a function of the varying strengths of the fields. As an application we consider in this work both passive and active optical gyroscopes.

  5. Atomic-Scale Origin of Long-Term Stability and High Performance of p-GaN Nanowire Arrays for Photocatalytic Overall Pure Water Splitting.

    Science.gov (United States)

    Kibria, Md Golam; Qiao, Ruimin; Yang, Wanli; Boukahil, Idris; Kong, Xianghua; Chowdhury, Faqrul Alam; Trudeau, Michel L; Ji, Wei; Guo, Hong; Himpsel, F J; Vayssieres, Lionel; Mi, Zetian

    2016-10-01

    The atomic-scale origin of the unusually high performance and long-term stability of wurtzite p-GaN oriented nanowire arrays is revealed. Nitrogen termination of both the polar (0001¯) top face and the nonpolar (101¯0) side faces of the nanowires is essential for long-term stability and high efficiency. Such a distinct atomic configuration ensures not only stability against (photo) oxidation in air and in water/electrolyte but, as importantly, also provides the necessary overall reverse crystal polarization needed for efficient hole extraction in p-GaN.

  6. Study of the {sup 7}Be(p,{gamma}){sup 8}B and {sup 7}Li(n,{gamma}){sup 8}Li capture reactions using the shell model embedded in the continuum

    Energy Technology Data Exchange (ETDEWEB)

    Bennaceur, K.; Ploszajczak, M. [Grand Accelerateur National d`Ions Lourds (GANIL), 14 - Caen (France); Nowacki, F. [Grand Accelerateur National d`Ions Lourds (GANIL), 14 - Caen (France)]|[Strasbourg-1 Univ., 67 (France). Lab. de Physique Theorique; Okolowicz, J. [Grand Accelerateur National d`Ions Lourds (GANIL), 14 - Caen (France)]|[Institute of Nuclear Physics, Krakow (Poland)

    1999-02-01

    The realistic shell model which includes the coupling between many-particle (quasi-)bound states and the continuum of one-particle scattering states is applied to the spectroscopy of mirror nuclei: {sup 8}B and {sup 8}Li, as well as to the description of low energy cross sections (the astrophysical S factors) in the capture reactions: {sup 7}Be(p,{gamma}){sup 8}B and {sup 7}Li(n,{gamma}){sup 8}Li. (author) 49 refs.

  7. Solution-growth and optoelectronic performance of ZnO : Cl/TiO2 and ZnO : Cl/ZnxTiOy/TiO2 core-shell nanowires with tunable shell thickness

    Science.gov (United States)

    Fan, Jiandong; Zamani, Reza; Fábrega, Cristian; Shavel, Alexey; Flox, Cristina; Ibáñez, Maria; Andreu, Teresa; López, Antonio M.; Arbiol, Jordi; Ramón Morante, Joan; Cabot, Andreu

    2012-10-01

    Arrays of vertically aligned ZnO : Cl/TiO2 and ZnO : Cl/ZnxTiOy/TiO2 core-shell nanowires (NWs) were prepared by means of the combination of two solution-growth processes. First, single-crystal ZnO NWs with controlled n-type doping were grown on conducting substrates by a low-cost, high-yield and seed-free electrochemical route. These NWs were covered by a titanium oxide shell of tunable thickness mediating successive adsorption-hydrolysis-condensation steps. Using this atomic-layer growth procedure, titania shells with controlled thickness and the anatase TiO2 phase were obtained after sintering at 450 °C. Higher sintering temperatures resulted in the formation of ZnO : Cl/ZnxTiOy/TiO2 core-shell NWs by the interdiffusion of Zn and Ti ions at the ZnO-TiO2 interface. The performance of ZnO : Cl/TiO2 and ZnO : Cl/ZnxTiOy/TiO2 core-shell NWs towards photoelectrochemical (PEC) water splitting was investigated as a function of the titania shell thickness. Furthermore, the performance of such core-shell NWs as photoelectrodes in dye-sensitized solar cells was also characterized. The TiO2 presence at the ZnO : Cl surface promoted a two-fold increase on the produced photocurrent densities, probing their potential for PEC and optoelectronic applications. Electrochemical impedance spectroscopy was used to corroborate the lower resistance for charge transfer between the NWs and the electrolyte in the presence of the TiO2 shell.

  8. Photoinitiated H- and D-atom reactions with N sub 2 O in the gas phase and in N sub 2 O--HI and N sub 2 O--DI complexes

    Energy Technology Data Exchange (ETDEWEB)

    Boehmer, E.; Shin, S.K.; Chen, Y.; Wittig, C. (Department of Chemistry, University of Southern California, Los Angeles, California 90089-0482 (United States))

    1992-08-15

    Reactions of H atoms with N{sub 2}O have two product channels yielding NH+NO and OH+N{sub 2}. Both channels were observed via NH {ital A} {sup 3}{Pi}{l arrow}{ital X} {sup 3}{summation} and OH {ital A} {sup 2}{summation}{l arrow}{ital X} {sup 2}{Pi} laser-induced fluorescence spectra. Photoinitiated reactions with N{sub 2}O--HI complexes yield a much lower (NH)/(OH) ratio than under the corresponding bulk conditions at the same photolysis wavelength. For hot D-atom reactions with N{sub 2}O, this effect is somewhat more pronounced. These results can be interpreted in terms of entrance channel geometric specificity, namely, biasing hydrogen attack toward the oxygen. Another striking observation is that the OH and OD rotational level distributions (RLD) obtained under bulk conditions differ markedly from those obtained under complexed conditions, while the NH as well as the ND RLD are similar for the two environments. In addition, OH Doppler profiles change considerably in going from bulk to complexed conditions, while such an effect is not observed for NH. The changes observed with the OH RLD are most likely due to OH--halogen interactions and/or entrance channel specificity. Under bulk conditions, the Doppler shift measurements indicate a large amount of N{sub 2} internal excitation (i.e., {similar to}25 000 cm{sup {minus}1}) for the OH ({ital v}=0) levels monitored. This is consistent with a reaction mechanism involving an HNNO{sup {dagger}} intermediate. The hot hydrogen atom first attaches to the terminal nitrogen of N{sub 2}O and forms an excited HNNO{sup {dagger}} intermediate having a relatively elongated N--N bond compared with N{sub 2}O. Then the H atom migrates from nitrogen to oxygen and exits to the N{sub 2}+OH product channel, leaving N{sub 2} vibrationally excited. A simple Franck--Condon model can reconcile quantitatively the large amount of N{sub 2} vibrational excitation.

  9. 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.

  10. Novel highly ordered core–shell nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-10-26

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

  11. Facile synthesis of thermally stable poly(N-vinylpyrrolidone)-modified gold surfaces by surface-initiated atom transfer radical polymerization.

    Science.gov (United States)

    Liu, Xiaoli; Sun, Kai; Wu, Zhaoqiang; Lu, Jianhong; Song, Bo; Tong, Weifang; Shi, Xiujuan; Chen, Hong

    2012-06-26

    Well-controlled polymerization of N-vinylpyrrolidone (NVP) on Au surfaces by surface-initiated atom transfer radical polymerization (SI-ATRP) was carried out at room temperature by a silanization method. Initial attempts to graft poly(N-vinylpyrrolidone) (PVP) layers from initiators attached to alkanethiol monolayers yielded PVP films with thicknesses less than 5 nm. The combined factors of the difficulty in the controllable polymerization of NVP and the instability of alkanethiol monolayers led to the difficulty in the controlled polymerization of NVP on Au surfaces. Therefore, the silanization method was employed to form an adhesion layer for initiator attachment. This method allowed well-defined ATRP polymerization to occur on Au surfaces. Water contact angle, X-ray photoelectron spectroscopy (XPS), and reflectance Fourier transform infrared (reflectance FTIR) spectroscopy were used to characterize the modified surfaces. The PVP-modified gold surface remained stable at 130 °C for 3 h, showing excellent thermal stability. Thus, postfunctionalization of polymer brushes at elevated temperatures is made possible. The silanization method was also applied to modify SPR chips and showed potential applications in biosensors and biochips.

  12. Magnetovolume and chemical bonding effects of Sn atom in the γ'-(Fe1-xSnx)4N compounds

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    Combining x-ray diffraction and high pressure Mossbauer spectroscopy,the structure and the hyperfine parameters of Sn substituted for Fe in γ'-Fe4N were in-vestigated. The results of x-ray diffraction indicate that single phase γ'-(Fel-xSnx)4Ncompounds can be synthesized in the composition range 0≤ x ≤ 0.3, and the latticeparameter can be well fitted with two linear formulas α0(x) = 3.795 + 0.019 × x (0.0≤x ≤0.10) and α0(x) = 3.795+ 0.228 × (x- 0.1)(0.10 ≤ x ≤0.30) for different contentof Sn. Using high pressure Mossbauer spectra, the influences of the magnetovolunceffect and the chemical bonding effect of Sn atom on the hyperfine magnetic field andthe isomer shift were first distinguished. It is found that the magnetovolume and thechemical bonding have different influences on the properties of γ'-(Fe1-xSnx)4N, andthe latter plays a more important role.

  13. 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.

  14. 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.

  15. A New Nitrogenase Mechanism Using a CFe8S9 Model: Does H2 Elimination Activate the Complex to N2 Addition to the Central Carbon Atom?

    Science.gov (United States)

    McKee, Michael L

    2016-02-11

    A truncated model of the FeMo cofactor is used to explore a new mechanism for the conversion of N2 to NH3 by the nitrogenase enzyme. After four initial protonation/reduction steps, the H4CFe8S9 cluster has two hydrogen atoms attached to sulfur, one hydrogen bridging two iron centers and one hydrogen bonded to carbon. The loss of the CH and FeHFe hydrogens as molecular hydrogen activates the cluster to addition of N2 to the carbon center. This unique step takes place at a nearly planar four-coordinate carbon center and leads to an intermediate with a significantly weakened N-N bond. A hydrogen attached to a sulfur atom is then transferred to the distal nitrogen atom. Additional prontonation/reduction steps are modeled by adding a hydrogen atom to sulfur and locating the transition states for transfer to nitrogen. The first NH3 is lost in a thermal neutral step, while the second step is endothermic. The loss of H2 activates the complex by reducing the barrier for N2 addition by 3.5 kcal/mol. Since this is the most difficult step in the mechanism, reducing the barrier for this step justifies the "extra expense" of H2 production.

  16. 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

    Energy Technology Data Exchange (ETDEWEB)

    Jiang, Zhao; Fang, Tao, E-mail: taofang@mail.xjtu.edu.cn

    2016-07-15

    Highlights: • Complete dehydrogenation mechanisms of H{sub 2}O on clean and X-covered Cu(111) were studied using periodic DFT calculations. • The minimum energy paths for the dissociation of H{sub 2}O on four types Cu(111) surfaces were identified. • The role of the doped-C, N and O on the Cu(111) surface was discussed. - Abstract: 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 H{sub 2}O-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 H{sub 2}O 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 H{sub 2}O complete dissociation. Among four types Cu(111) surfaces, C-covered Cu(111) is the most favorable surface both kinetically and thermodynamically.

  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. Synthesis of core-shell hydrophilic polymer-silica hybrid material and its application in N-glycan enrichment%新型核壳型亲水聚合物-硅胶杂化填料的合成及其在蛋白质N-糖链富集中的应用

    Institute of Scientific and Technical Information of China (English)

    白海红; 范超; 沈丙权; 田芳; 邓玉林; 潘一廷; 秦伟捷; 钱小红

    2015-01-01

    蛋白质的 N-糖基化修饰与多种重要的生理、病理进程密切相关,是多种重大疾病诊断标志物研究的热点。由于糖蛋白本身多是低丰度表达的蛋白质,且糖链结构具有高度微不均一性,这使得蛋白质糖基化修饰的分析具有一定的挑战。本研究利用表面引发-原子转移自由基聚合( SI-ATRP )法,以带有双键的氨基葡萄糖为单体(GMAG),成功制备了新型核壳型亲水聚合物-硅胶杂化填料(pGMAG-SiO2)。由于在硅胶表面引入致密的亲水聚合物层,该填料不仅保持了硅胶良好的机械强度,而且显著提高了其亲水性,因此非常适合作为亲水填料用于蛋白质的N-糖链富集。以麦芽七糖和鸡卵清蛋白的N-糖链为研究对象,考察了该填料对N-糖链的富集效果,并将该杂化填料成功用于人血浆中糖蛋白 N-糖链的富集检测,共鉴定了47种糖型。以上结果表明,pGMAG-SiO2填料对N-糖链具有较高的亲和性,可以用于 N-糖链的高覆盖率鉴定。%Protein N-glycosylation is one of the most important post-translational modifications closely correlated with many important biological and pathological processes. The structural alterations of N-linked glycans in glycoproteins are always associated with many diseases,such as diabetes,heart failure and malignant tumors. Therefore,it is very important to establish sen-sitive methods for high-throughput N-glycan profiling. However,the low abundance of the N-glycoproteins and the heterogeneity of the N-glycans make it a challenge to analyse the pro-tein glycosylation sensitively. In this work,we had synthesized core-shell hydrophilic polymer-silica hybrid materials(pGMAG-SiO2)for the efficient enrichment of protein N-glycans. Firstly, pGMAG-SiO2 was prepared by in situ growth of glucose polymer on the surface of silica microp-articles using surface-initiated atom transfer radical polymerization( SI

  19. 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

  20. 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.

  1. 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.

  2. 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...

  3. Acrylamide-b-N-isopropylacrylamide block copolymers : Synthesis by atomic transfer radical polymerization in water and the effect of the hydrophilic-hydrophobic ratio on the solution properties

    NARCIS (Netherlands)

    Wever, Diego Armando Z.; Ramalho, Graham; Picchioni, Francesco; Broekhuis, Antonius Augustinus

    2014-01-01

    A series of block copolymers of acrylamide and N-isopropylacrylamide (NIPAM) characterized by different ratios between the length of the two blocks have been prepared through atomic transfer radical polymerization in water at room temperature. The solution properties of the block copolymers were cor

  4. Very low surface recombination velocities on p- and n-type c-Si by ultrafast spatial atomic layer deposition of aluminum oxide

    NARCIS (Netherlands)

    Werner, F.; Veith, B.; Tiba, V.; Poodt, P.W.G.; Roozeboom, F.; Brendel, R.; Schmidt, J.

    2010-01-01

    Using aluminum oxide (Al2 O3) films deposited by high-rate spatial atomic layer deposition (ALD), we achieve very low surface recombination velocities of 6.5 cm/s on p -type and 8.1 cm/s on n -type crystalline silicon wafers. Using spatially separated reaction zones instead of

  5. 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.

  6. 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.

  7. Blended Isogeometric Shells

    Science.gov (United States)

    2012-08-01

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

  8. Off-Shell Tachyons

    OpenAIRE

    Tang, Yi-Lei

    2015-01-01

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

  9. Spiral Shell Collection

    Institute of Scientific and Technical Information of China (English)

    1995-01-01

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

  10. Trapping of hydrogen atoms inside small beryllium clusters and their ions

    Science.gov (United States)

    Naumkin, F. Y.; Wales, D. J.

    2016-08-01

    Structure, stability and electronic properties are evaluated computationally for small Ben (n = 5-9) cluster cages accommodating atomic H inside and forming core-shell species. These parameters are predicted to vary significantly upon insertion of H, for ionic derivatives, and with the system size. In particular, the energy barrier for H-atom exit from the cage changes significantly for ions compared to the neutral counterparts. The corresponding effects predicted for cage assemblies suggest the possibility of efficient charge-control of hydrogen release. This, together with a high capacity for storing hydrogen in extended such assemblies might indicate a possible way towards feasible hydrogen-storage solutions.

  11. Prediction of Setschenow constants of N-heteroaromatics in NaCl solutions based on the partial charge on the heterocyclic nitrogen atom.

    Science.gov (United States)

    Yang, Bin; Li, Zhongjian; Lei, Lecheng; Sun, Feifei; Zhu, Jingke

    2016-02-01

    The solubilities of 19 different kinds of N-heteroaromatic compounds in aqueous solutions with different concentrations of NaCl were determined at 298.15 K with a UV-vis spectrophotometry and titration method, respectively. Setschenow constants, Ks, were employed to describe the solubility behavior, and it is found that the higher ring numbers of N-heteroaromatics gave rise to the lower values of Ks. Moreover, Ks showed a good linear relationship with the partial charge on the nitrogen atom (QN) for either QN > 0 or QN coefficient (Kow). The heterocyclic N in N-heteroaromatics may interact with Na(+) ions in NaCl solution for QN 0.

  12. Shell structure of nuclei far from stability

    CERN Document Server

    Grawe, H

    2001-01-01

    The experimental status of shell structure studies in medium-heavy nuclei far off the line of beta-stability is reviewed. Experimental techniques, signatures for shell closure and expectations for future investigations are discussed for the key regions around sup 4 sup 8 sup , sup 5 sup 6 Ni, sup 1 sup 0 sup 0 Sn for proton rich nuclei and the neutron-rich N=20 isotones, Ca, Ni and Sn isotopes.

  13. Shell-like structures

    CERN Document Server

    Altenbach, Holm

    2011-01-01

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

  14. Maximally Atomic Languages

    Directory of Open Access Journals (Sweden)

    Janusz Brzozowski

    2014-05-01

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

  15. 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.

  16. Optical and morphological characterization by atomic force microscopy of luminescent 2-styrylpyridine derivative compounds with Poly(N-vinylcarbazole) films

    Energy Technology Data Exchange (ETDEWEB)

    Perez-Gutierrez, E., E-mail: cuper_enrique@msn.com [Centro de Quimica, Instituto de Ciencias, Universidad Autonoma de Puebla, Complejo de Ciencias, ICUAP, Edif. 103-F, 22 Sur y San Claudio, C.P. 72570 Puebla, Puebla (Mexico); Percino, M.J.; Chapela, V.M. [Centro de Quimica, Instituto de Ciencias, Universidad Autonoma de Puebla, Complejo de Ciencias, ICUAP, Edif. 103-F, 22 Sur y San Claudio, C.P. 72570 Puebla, Puebla (Mexico); Maldonado, J.L. [Centro de Investigaciones en Optica A.C. (CIO), Lomas del Bosque 115, Col. Lomas del Campestre, C.P. 37150, Leon Guanajuato (Mexico)

    2011-07-01

    The present work addresses the optical and morphological properties of organic films based on low molecular weight dyes styrylpyridine derivatives 2-styrylpyridine (A), 4-chlorophenyl-2-vinylpyridine (B) and 4-fluorophenyl-2-vinylpyridine (C), embedded in a polymeric matrix poly(N-vinylcarbazole) (PVK). The films were prepared by a spin-coating technique from solutions with dye:PVK ratios of 0.25:1, 0.5:1 and 1:1. Solvents were chloroform and toluene. The molar absorption coefficient ({epsilon}) spectra for a dye:PVK mixture in solution were a combination of the absorptions of both components separately, but for the deposited films, the shape of the spectrum showed that the poly(N-vinylcarbazole) absorption dominated. However, when the same films were dissolved again in CHCl{sub 3}, their spectra showed an absorption shape similar to that of the solution mixture before the deposition. Solution viscosity measurements were carried out with an Ubbelohde glass capillary viscometer to corroborate the results that showed a better mixture of the dye with the host in chloroform. The morphology of the prepared films was analyzed by atomic force microscopy and exhibited a solvent effect, with a pinhole-free, smooth surface when toluene was used and a wavy surface with chloroform. The ratio dye:matrix was the principal parameter for obtaining optical quality films; for 0.25:1 and 0.5:1 ratios, the films were of good quality, but for 1:1, the dye was expelled from the PVK and a crystallization was present over the surface of the films. Film thickness was also measured and films deposited from toluene solutions gave an average thickness of 54 nm while films from chloroform solutions had an average thickness greater than 160 nm that increased depending on chromophore concentration.

  17. White light generation by resonant nonradiative energy transfer from epitaxial InGaN/GaN quantum wells to colloidal CdSe/ZnS core/shell quantum dots

    Science.gov (United States)

    Nizamoglu, Sedat; Sari, Emre; Baek, Jong-Hyeob; Lee, In-Hwan; Demir, Hilmi Volkan

    2008-12-01

    We propose and demonstrate white-light-generating nonradiative energy transfer (ET) from epitaxial quantum wells (QWs) to colloidal quantum dots (QDs) in their close proximity. This proof-of-concept hybrid color-converting system consists of chemically synthesized red-emitting CdSe/ZnS core/shell heteronanocrystals intimately integrated on epitaxially grown cyan-emitting InGaN/GaN QWs. The white light is generated by the collective luminescence of QWs and QDs, for which the dot emission is further increased by 63% with nonradiative ET, setting the operating point in the white region of CIE chromaticity diagram. Using cyan emission at 490 nm from the QWs and red emission at 650 nm from the nanocrystal (NC) luminophors, we obtain warm white light generation with a correlated color temperature of Tc = 3135 K and tristimulus coordinates of (x,y) = (0.42, 0.39) in the white region. By analyzing the time-resolved radiative decay of these NC emitters in our hybrid system with a 16 ps time resolution, the luminescence kinetics reveals a fast ET with a rate of (2 ns)-1 using a multiexponential fit with χ 2 = 1.0171.

  18. Biomineralisation in Mollusc shells

    Science.gov (United States)

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

    2009-04-01

    secretory activity. The main control on the structural and compositional features of mollusc shells is genetic. However, environmental influences do exist. Due to the complex structures and composition of these shells, localized analyses must be preferred. The role of the composition and distribution of the organic matrix in fossilisation processes, and any potentially induced alterations is not yet known. Mutvei 1970, Biomineralisation 2, 48. Mutvei 1977, Calc. Tiss. Res. 24, 1. Cuif et al.1980, C. R. Acad. Sc. Paris 290, ser. D: 759. Dauphin & Cuif 1999, Ann. Sci. Nat. 2:73. Dauphin & Denis 2000, Comp. Biochem. Physiol. A126: 367. Dauphin 2001, N. Jb. Geol. Palaont. Mh. 2 : 103. Dauphin 2001, Palaont. Zeit. 75, 1: 113. Levi-Kalisman et al. 2001, J. Struct. Biol. 135:8. Dauphin 2002, Comp. Biochem. Physiol. A132, 3: 577. Dauphin et al. 2003, J. Struct. Biol., 142: 272. Gotliv et al. 2003, Chem. Biochem. 4: 522. Gotliv et al. 2004, ChemBioChem. 6:304. Dauphin et al. 2005, Amer. Mineral. 90: 1748. Nudelman et al. 2006, J. Struct. Biol. 153:176. Takeushi & Endo 2006, mar. Biotech. 8: 52. Dauphin 2008, Anal. Bioanal. Chem. 309: 1659. Cuif et al. 2008, Mineral. Mag. 72, 1: 233. This work has been made possible thanks to the support from ANR-06-BLANC-0233-01 project (BIOCRISTAL).

  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. 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.

  1. Importance of π-stacking interactions in the hydrogen atom transfer reactions from activated phenols to short-lived N-oxyl radicals.

    Science.gov (United States)

    Mazzonna, Marco; Bietti, Massimo; DiLabio, Gino A; Lanzalunga, Osvaldo; Salamone, Michela

    2014-06-06

    A kinetic study of the hydrogen atom transfer from activated phenols (2,6-dimethyl- and 2,6-di-tert-butyl-4-substituted phenols, 2,2,5,7,8-pentamethylchroman-6-ol, caffeic acid, and (+)-cathechin) to a series of N-oxyl radical (4-substituted phthalimide-N-oxyl radicals (4-X-PINO), 6-substituted benzotriazole-N-oxyl radicals (6-Y-BTNO), 3-quinazolin-4-one-N-oxyl radical (QONO), and 3-benzotriazin-4-one-N-oxyl radical (BONO)), was carried out by laser flash photolysis in CH3CN. A significant effect of the N-oxyl radical structure on the hydrogen transfer rate constants (kH) was observed with kH values that monotonically increase with increasing NO-H bond dissociation energy (BDENO-H) of the N-hydroxylamines. The analysis of the kinetic data coupled to the results of theoretical calculations indicates that these reactions proceed by a hydrogen atom transfer (HAT) mechanism where the N-oxyl radical and the phenolic aromatic rings adopt a π-stacked arrangement. Theoretical calculations also showed pronounced structural effects of the N-oxyl radicals on the charge transfer occurring in the π-stacked conformation. Comparison of the kH values measured in this study with those previously reported for hydrogen atom transfer to the cumylperoxyl radical indicates that 6-CH3-BTNO is the best N-oxyl radical to be used as a model for evaluating the radical scavenging ability of phenolic antioxidants.

  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. Effects of Post Annealing Treatments on the Interfacial Chemical Properties and Band Alignment of AlN/Si Structure Prepared by Atomic Layer Deposition.

    Science.gov (United States)

    Sun, Long; Lu, Hong-Liang; Chen, Hong-Yan; Wang, Tao; Ji, Xin-Ming; Liu, Wen-Jun; Zhao, Dongxu; Devi, Anjana; Ding, Shi-Jin; Zhang, David Wei

    2017-12-01

    The influences of annealing temperature in N2 atmosphere on interfacial chemical properties and band alignment of AlN/Si structure deposited by atomic layer deposition have been investigated based on x-ray photoelectron spectroscopy and spectroscopic ellipsometry. It is found that more oxygen incorporated into AlN film with the increasing annealing temperature, resulting from a little residual H2O in N2 atmosphere reacting with AlN film during the annealing treatment. Accordingly, the Si-N bonding at the interface gradually transforms to Si-O bonding with the increasing temperature due to the diffusion of oxygen from AlN film to the Si substrate. Specially, the Si-O-Al bonding state can be detected in the 900 °C-annealed sample. Furthermore, it is determined that the band gap and valence band offset increase with increasing annealing temperature.

  5. Effects of Post Annealing Treatments on the Interfacial Chemical Properties and Band Alignment of AlN/Si Structure Prepared by Atomic Layer Deposition

    Science.gov (United States)

    Sun, Long; Lu, Hong-Liang; Chen, Hong-Yan; Wang, Tao; Ji, Xin-Ming; Liu, Wen-Jun; Zhao, Dongxu; Devi, Anjana; Ding, Shi-Jin; Zhang, David Wei

    2017-02-01

    The influences of annealing temperature in N2 atmosphere on interfacial chemical properties and band alignment of AlN/Si structure deposited by atomic layer deposition have been investigated based on x-ray photoelectron spectroscopy and spectroscopic ellipsometry. It is found that more oxygen incorporated into AlN film with the increasing annealing temperature, resulting from a little residual H2O in N2 atmosphere reacting with AlN film during the annealing treatment. Accordingly, the Si-N bonding at the interface gradually transforms to Si-O bonding with the increasing temperature due to the diffusion of oxygen from AlN film to the Si substrate. Specially, the Si-O-Al bonding state can be detected in the 900 °C-annealed sample. Furthermore, it is determined that the band gap and valence band offset increase with increasing annealing temperature.

  6. Atmospheric chemistry of CH3O(CF2CF2O)(n)CH3 (n=1-3): Kinetics and mechanism of oxidation initiated by Cl atoms and OH radicals, IR spectra, and global warmin potentials

    DEFF Research Database (Denmark)

    Andersen, Mads Peter Sulbæk; Hurley, MD; Wallington, TJ

    2004-01-01

    Smog chambers equipped with FTIR spectrometers were used to study the Cl atom and OH radical initiated oxidation of CH3O(CF2CF2O)(n)CH3 (n = 1-3) in 720 +/- 20 Torr of air at 296 +/- 3 K. Relative rate techniques were used to measure k(Cl + CH3O(CF2CF2O)(n)CH3) (3.7 +/- 10.7) x 10(-13) and k(OH +...

  7. A comparative study on electrical characteristics of crystalline AlN thin films deposited by ICP and HCPA-sourced atomic layer deposition

    Science.gov (United States)

    Altuntas, Halit; Bayrak, Turkan

    2016-12-01

    In this work, we aimed to investigate the effects of two different plasma sources on the electrical properties of low-temperature plasma-assisted atomic layer deposited (PA-ALD) AlN thin films. To compare the electrical properties, 50 nm thick AlN films were grown on p-type Si substrates at 200 °C by using an inductively coupled RF-plasma (ICP) and a stainless steel hollow cathode plasma-assisted (HCPA) ALD systems. Al/AlN/p-Si metal-insulator-semiconductor (MIS) capacitor devices were fabricated and capacitance versus voltage (C-V) and current-voltage (I-V) measurements performed to assess the basic important electrical parameters such as dielectric constant, effective charge density, flat-band voltage, breakdown field, and threshold voltage. In addition, structural properties of the films were presented and compared. The results show that although HCPA-ALD deposited AlN thin films has structurally better and has a lower effective charge density (N eff ) value than ICP-ALD deposited AlN films, those films have large leakage current, low dielectric constant, and low breakdown field. This situation was attributed to the involvement of Si atoms into the AlN layers during the HCPA-ALD processing leads to additional current path at AlN/Si interface and might impair the electrical properties.

  8. A comparative study on electrical characteristics of crystalline AlN thin films deposited by ICP and HCPA-sourced atomic layer deposition

    Science.gov (United States)

    Altuntas, Halit; Bayrak, Turkan

    2017-03-01

    In this work, we aimed to investigate the effects of two different plasma sources on the electrical properties of low-temperature plasma-assisted atomic layer deposited (PA-ALD) AlN thin films. To compare the electrical properties, 50 nm thick AlN films were grown on p-type Si substrates at 200 °C by using an inductively coupled RF-plasma (ICP) and a stainless steel hollow cathode plasma-assisted (HCPA) ALD systems. Al/AlN/ p-Si metal-insulator-semiconductor (MIS) capacitor devices were fabricated and capacitance versus voltage ( C- V) and current-voltage ( I- V) measurements performed to assess the basic important electrical parameters such as dielectric constant, effective charge density, flat-band voltage, breakdown field, and threshold voltage. In addition, structural properties of the films were presented and compared. The results show that although HCPA-ALD deposited AlN thin films has structurally better and has a lower effective charge density ( N eff ) value than ICP-ALD deposited AlN films, those films have large leakage current, low dielectric constant, and low breakdown field. This situation was attributed to the involvement of Si atoms into the AlN layers during the HCPA-ALD processing leads to additional current path at AlN/Si interface and might impair the electrical properties.

  9. 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.

  10. 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

  11. Stress Domains in Si\\(111\\)/a-Si3N4 Nanopixel: Ten-Million-Atom Molecular Dynamics Simulations on Parallel Computers

    Science.gov (United States)

    Omeltchenko, Andrey; Bachlechner, Martina E.; Nakano, Aiichiro; Kalia, Rajiv K.; Vashishta, Priya; Ebbsjö, Ingvar; Madhukar, Anupam; Messina, Paul

    2000-01-01

    Parallel molecular dynamics simulations are performed to determine atomic-level stresses in Si\\(111\\)/Si3N4\\(0001\\) and Si\\(111\\)/a-Si3N4 nanopixels. Compared to the crystalline case, the stresses in amorphous Si3N4 are highly inhomogeneous in the plane of the interface. In silicon below the interface, for a 25 nm square mesa stress domains with triangular symmetry are observed, whereas for a rectangular, 54 nm×33 nm, mesa tensile stress domains \\(~300 Å\\) are separated by Y-shaped compressive domain wall. Maximum stresses in the domains and domain walls are -2 GPa and +2 GPa, respectively.

  12. Stress domains in Si(111)/a-Si3N4 nanopixel: ten-million-atom molecular dynamics simulations on parallel computers

    Science.gov (United States)

    Omeltchenko; Bachlechner; Nakano; Kalia; Vashishta; Ebbsjo; Madhukar; Messina

    2000-01-10

    Parallel molecular dynamics simulations are performed to determine atomic-level stresses in Si(111)/Si(3)N4(0001) and Si(111)/a-Si3N4 nanopixels. Compared to the crystalline case, the stresses in amorphous Si3N4 are highly inhomogeneous in the plane of the interface. In silicon below the interface, for a 25 nm square mesa stress domains with triangular symmetry are observed, whereas for a rectangular, 54 nmx33 nm, mesa tensile stress domains ( approximately 300 A) are separated by Y-shaped compressive domain wall. Maximum stresses in the domains and domain walls are -2 GPa and +2 GPa, respectively.

  13. Kinetic Study of the Reaction of the Phthalimide-N-oxyl Radical with Amides: Structural and Medium Effects on the Hydrogen Atom Transfer Reactivity and Selectivity.

    Science.gov (United States)

    Bietti, Massimo; Forcina, Veronica; Lanzalunga, Osvaldo; Lapi, Andrea; Martin, Teo; Mazzonna, Marco; Salamone, Michela

    2016-12-02

    A kinetic study of the hydrogen atom transfer (HAT) reactions from a series of secondary N-(4-X-benzyl)acetamides and tertiary amides to the phthalimide-N-oxyl radical (PINO) has been carried out. The results indicate that HAT is strongly influenced by structural and medium effects; in particular, the addition of Brønsted and Lewis acids determines a significant deactivation of C-H bonds α to the amide nitrogen of these substrates. Thus, by changing the reaction medium, it is possible to carefully control the regioselectivity of the aerobic oxidation of amides catalyzed by N-hydroxyphthalimide, widening the synthetic versatility of this process.

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

    Indian Academy of Sciences (India)

    Ö Söğüt; E Büyükkasap; A Küçükönder; T Tarakçioğlu

    2009-10-01

    The vacancy transfer probabilities from K to L shell through radiative decay, KL , have been deduced for the elements in the range 19 ≤ ≤ 58 using K-shell fluorescence yields. The targets were irradiated with photons at 59.5 keV from a 75mCi 241Am annular source. The K X-rays from different targets were detected with a high resolution Si(Li) detector. The measurement of vacancy transfer probabilities are least-squared fitted to second-order polynomials to obtain analytical relations that represent these probabilities as a function of atomic number. The obtained results agree with theoretical and fitted values.

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. MICRON CORE-SHELL PARTICLES PREPARED BY GRAFTING POLYMERIZATION OF METHYL METHACRYLATE FROM NARROW DISPERSE SURFACE OF CHLOROMETHYLATED POLYDIVINYLBENZENE VIA ATRP

    Institute of Scientific and Technical Information of China (English)

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

    2005-01-01

    Grafting of poly(methyl methacrylate) from narrow disperse polymer particles by surface-initiated atom transfer radical polymerization (ATRP) was investigated. Polydivinylbenzene (PDVB) particles were prepared by dispersion polymerization with poly(N-vinyl pyrrolidone) (PVP) as the stabilizer. Chloromethylated PDVB was used as initiating core sites for subsequent ATRP of methyl methacrylate with CuBr/bpy as catalyst system. It was found that poly(methyl methacrylate) was grafted not only from the particle surfaces but also from within a thin shell layer, leading to particles size increases from 2.38-3.00 μm with a core-shell structure particles. The grafted core-shell particles were characterized with FTIR, SEM, DSC.

  3. 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.

  4. Hydrogen atom transfer from 1,n-alkanediamines to the cumyloxyl radical. Modulating C-H deactivation through acid-base interactions and solvent effects.

    Science.gov (United States)

    Milan, Michela; Salamone, Michela; Bietti, Massimo

    2014-06-20

    A time-resolved kinetic study on the effect of trifluoroacetic acid (TFA) on the hydrogen atom transfer (HAT) reactions from 1,n-alkanediamines (R2N(CH2)nNR2, R = H, CH3; n = 1-4), piperazine, and 1,4-dimethylpiperazine to the cumyloxyl radical (CumO(•)), has been carried out in MeCN and DMSO. Very strong deactivation of the α-C-H bonds has been observed following nitrogen protonation and the results obtained have been explained in terms of substrate basicity, of the distance between the two basic centers and of the solvent hydrogen bond acceptor ability. At [substrate] ≤ 1/2 [TFA] the substrates exist in the doubly protonated form HR2N(+)(CH2)nN(+)R2H, and no reaction with CumO(•) is observed. At 1/2 [TFA] [TFA], HAT occurs from the α-C-H bonds of R2N(CH2)nNR2, and the mesured kH values are very close to those obtained in the absence of TFA. Comparison between MeCN and DMSO clearly shows that in the monoprotonated diamines R2N(CH2)nN(+)R2H remote C-H deactivation can be modulated through solvent hydrogen bonding.

  5. Electron Spin Density on the N-Donor Atoms of Cu(II)-(Bis)oxamidato Complexes As Probed by a Pulse ELDOR Detected NMR.

    Science.gov (United States)

    Aliabadi, Azar; Zaripov, Ruslan; Salikhov, Kev; Voronkova, Violeta; Vavilova, Evgeniya; Abdulmalic, Mohammad A; Rüffer, Tobias; Büchner, Bernd; Kataev, Vladislav

    2015-10-29

    We have applied the pulse ELDOR detected NMR (EDNMR) technique to determine the tensors of the transferred Cu (S = 1/2) - (14)N (I = 1) hyperfine (HF) interaction in single crystals of diamagnetically diluted mononuclear o-phenylenebis(N(R)-oxamide) complexes of [(n)Bu4N]2[Cu(opboR2)] (R = Et 1, (n)Pr 2) (1%) in a host lattice of [(n)Bu4N]2[Ni(opboR2)] (R = Et 3, (n)Pr 4) (99%) (1@3 and 2@4)). To facilitate the analysis of our EDNMR data and to analyze possible manifestations of the nuclear quadrupole interaction in the EDNMR spectra, we have treated a model electron-nuclear system of the coupled S = 1/2 and I = 1 spins using the spin density matrix formalism. It appears that this interaction yields a peculiar asymmetry of the EDMR spectra that manifests not only in the shift of the positions of the EDNMR lines that correspond to the forbidden EPR transitions, as expected, but also in the intensities of the EDNMR lines. The symmetric shape of the experimental spectra suggests the conclusion that, in the studied complexes, the quadrupole interaction is negligible. This has simplified the analysis of the spectra. The HF tensors of all four N donor atoms could be accurately determined. On the basis of the HF tensors, an estimate of the spin density transferred from the central paramagnetic Cu(II) ion to the N donor atoms reveals its unequal distribution. We discuss possible implications of our estimates for the magnetic exchange paths and interaction strengths in respective trinuclear complexes [Cu3(opboR2) (pmdta)2](NO3)2 (R = Et 6, (n)Pr 7).

  6. Magnetic ordering and exchange interactions in structural modifications of M n3Ga alloys: Interplay of frustration, atomic order, and off-stoichiometry

    Science.gov (United States)

    Khmelevskyi, Sergii; Ruban, Andrei V.; Mohn, Peter

    2016-05-01

    Mn-Ga alloys close to the M n3Ga stoichiometry can be synthesized in three different crystal modifications: hexagonal, tetragonal, and face-centered cubic, both in bulk and in thin-film forms. The magnetic ordering of these modifications is varying from noncollinear antiferromagnetic in the hexagonal case to ferrimagnetic order in the tetragonal one, whereas it is still unknown for the atomically disordered fcc structure. Here we study the onset of magnetic order at finite temperatures in these systems on a first-principles basis calculating the interatomic magnetic exchange interactions in the high-temperature paramagnetic regime. We employ the disordered local moment formalism and the magnetic force theorem within the framework of the local spin-density approximation and Monte Carlo simulations taking also the effects of atomic disorder in fcc alloys into account. In particular we find the origin of the stabilization of the noncollinear 3 k structure in competition between antiferromagnetic inter- and in-plane couplings of frustrated kagome planes in hexagonal M n3Ga and predict the antiferromagnetic-1 collinear order due to frustration in fcc alloys. Special attention is paid to the effects of the off-stoichiometry and the consequences of atomic disorder. We calculate the site-preference energy of Ga antisite atoms in the tetragonal structures in the range of the compositions from M n3Ga to M n2Ga and slightly beyond and confirm the earlier explanation of the effect of magnetization increase due to Ga preferentially occupying one of the Mn sites.

  7. 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)

  8. Thermal stability of atomic layer deposited Ru layer on Si and TaN/Si for barrier application of Cu interconnection.

    Science.gov (United States)

    Shin, Dong Chan; Kim, Moo Ryul; Lee, Jong Ho; Choi, Bum Ho; Lee, Hong Kee

    2012-07-01

    The thermal stability of thin Ru single layer and Ru/TaN bilayers grown on bare Si by plasma enhanced atomic layer deposition (PEALD) have been studied with Cu/Ru, Cu/Ru/TaN structures as a function of annealing temperature. To investigate the characteristics as a copper diffusion barrier, a 50 nm thick Cu film was sputtered on Ru and Ru/TaN layers and each samples subjected to thermal annealing under N2 ambient with varied temperature 300, 400, and 500 degrees C, respectively. It was found that the single 5 nm thick ALD Ru layer acted as an effective Cu diffusion barrier up to 400 degrees C. On the other hand ALD Ru (5 nm)/TaN (3.2 nm) showed the improved diffusion barrier characteristics even though the annealing temperature increased up to 500 degrees C. Based on the experimental results, the failure mechanism of diffusion barrier would be related to the crystallization of amorphous Ru thin film as temperature raised which implies the crystallized Ru grain boundary served as the diffusion path of Cu atoms. The combination of ALD Ru incorporated with TaN layer would be a promising barrier structure in Cu metallization.

  9. Electrical conduction and dielectric relaxation properties of AlN thin films grown by hollow-cathode plasma-assisted atomic layer deposition

    Science.gov (United States)

    Altuntas, Halit; Bayrak, Turkan; Kizir, Seda; Haider, Ali; Biyikli, Necmi

    2016-07-01

    In this study, aluminum nitride (AlN) thin films were deposited at 200 °C, on p-type silicon substrates utilizing a capacitively coupled hollow-cathode plasma source integrated atomic layer deposition (ALD) reactor. The structural properties of AlN were characterized by grazing incidence x-ray diffraction, by which we confirmed the hexagonal wurtzite single-phase crystalline structure. The films exhibited an optical band edge around ˜5.7 eV. The refractive index and extinction coefficient of the AlN films were measured via a spectroscopic ellipsometer. In addition, to investigate the electrical conduction mechanisms and dielectric properties, Al/AlN/p-Si metal-insulator-semiconductor capacitor structures were fabricated, and current density-voltage and frequency dependent (7 kHz-5 MHz) dielectric constant measurements (within the strong accumulation region) were performed. A peak of dielectric loss was observed at a frequency of 3 MHz and the Cole-Davidson empirical formula was used to determine the relaxation time. It was concluded that the native point defects such as nitrogen vacancies and DX centers formed with the involvement of Si atoms into the AlN layers might have influenced the electrical conduction and dielectric relaxation properties of the plasma-assisted ALD grown AlN films.

  10. Assessment of the accuracy of coupled cluster perturbation theory for open-shell systems. I. Triples expansions

    CERN Document Server

    Eriksen, Janus Juul; Jørgensen, Poul; Gauss, Jürgen

    2015-01-01

    The accuracy with which total energies of open-shell species may be calculated using coupled cluster perturbative triples expansions is investigated. In particular, the acclaimed CCSD(T) model, in which a non-iterative correction for the effect of triple excitations is added to the coupled cluster singles and doubles (CCSD) energy, is compared to the second- through sixth-order models of the recently proposed CCSD(T-n) triples series for both unrestricted as well as restricted open-shell Hartree-Fock (UHF/ROHF) reference determinants. By comparing UHF- and ROHF-based statistical results for a test set of 18 atoms and small radicals with comparable RHF-based results, it is found that not only the numerical consistency of the CCSD(T) model, but also its fortuitous cancellation of errors for closed-shell systems break down in the transition from closed- to open-shell systems. For the higher-order models of the CCSD(T-n) series, however, no behavioral differences are found between the correlated descriptions of c...

  11. Lithography-free shell-substrate isolation for core-shell GaAs nanowires.

    Science.gov (United States)

    Haggren, Tuomas; Perros, Alexander Pyymaki; Jiang, Hua; Huhtio, Teppo; Kakko, Joona-Pekko; Dhaka, Veer; Kauppinen, Esko; Lipsanen, Harri

    2016-07-08

    A facile and scalable lithography-free technique(5) for the rapid construction of GaAs core-shell nanowires incorporating shell isolation from the substrate is reported. The process is based on interrupting NW growth and applying a thin spin-on-glass (SOG) layer to the base of the NWs and resuming core-shell NW growth. NW growth occurred in an atmospheric pressure metalorganic vapour phase epitaxy (MOVPE) system with gold nanoparticles used as catalysts for the vapour-liquid-solid growth. It is shown that NW axial core growth and radial shell growth can be resumed after interruption and even exposure to air. The SOG residues and native oxide layer that forms on the NW surface are shown to prevent or perturb resumption of epitaxial NW growth if not removed. Both HF etching and in situ annealing of the air-exposed NWs in the MOVPE were shown to remove the SOG residues and native oxide layer. While both procedures are shown capable of removing the native oxide and enabling resumption of epitaxial NW growth, in situ annealing produced the best results and allowed construction of pristine core-shell NWs. No growth occurred on SOG and it was observed that axial NW growth was more rapid when a SOG layer covered the substrate. The fabricated p-core/n-shell NWs exhibited diode behaviour upon electrical testing. The isolation of the NW shells from the substrate was confirmed by scanning electron microscopy and electrical measurements. The crystal quality of the regrown core-shell NWs was verified with a high resolution transmission electron microscope. The reported technique potentially provides a pathway using MOVPE for scalable and high-throughput production of shell-substrate isolated core-shell NWs on an industrial scale.

  12. Comparative study of shell choice by the southern endemic hermit crab Loxopagurus loxochelis from Brazil and Argentina Estudio comparativo sobre elección de conchas en el cangrejo ermitaño endémico del Atlántico sudoccidental Loxopagurus loxochelis de Brasil y Argentina

    Directory of Open Access Journals (Sweden)

    RENATA BIAGI

    2006-12-01

    Full Text Available This study aimed to determine the shell choice pattern of the southern Atlantic endemic hermit crab Loxopagurus loxochelis from two different biogeographic provinces in Brazil and Argentina. Size and shell species preferences were determined for the two most occupied shell types (i.e., Olivancillaria urceus and Buccinanops gradatum in Caraguatatuba region (Brazil and in Mar del Plata (Argentina. Shell occupation was analyzed considering the biometric characteristics of shells, the occurrence of shell types, and the preference of the hermit crabs for the most frequently occupied shell species. Samples were taken using otter trawl in the infralittoral area of both regions and the animals captured were measured and weighed. Shells were identified, weighed, measured and their internal volume calculated. Experiments were accomplished in aquaria where the hermit crabs were allocated together with a sufficient number of adequate sized shells. In laboratory, L. loxochelis from Argentina presented no preference for any of the two offered shell species, while the specimens from Brazil significantly preferred B. gradatum shells. It was observed that the relation between shell dimensions and shell weight were the variables that best explained the association between hermit crabs and shells. Considering that Argentinean specimens are larger than the Brazilian ones we may infer that body size is a relevant factor to explain the observed differences found in relation to shell type preferenceEste estudio tuvo por objetivo determinar la forma de elección de conchas de caracoles por el cangrejo ermitaño endémico del Atlántico sudoccidental Loxopagurus loxochelis proveniente de dos provincias biogeográficas de Brasil y Argentina. Se determinaron las tallas y las preferencias de conchas entre los dos tipos de caracoles más ocupados (Olivancillaria urceus y Buccinanops gradatum en la región de Caraguatatuba (Brazil y en Mar del Plata (Argentina. La composición

  13. Elastic platonic shells.

    Science.gov (United States)

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

    2013-10-25

    On microscopic scales, the crystallinity of flexible tethered or cross-linked membranes determines their mechanical response. We show that by controlling the type, number, and distribution of defects on a spherical elastic shell, it is possible to direct the morphology of these structures. Our numerical simulations show that by deflating a crystalline shell with defects, we can create elastic shell analogs of the classical platonic solids. These morphologies arise via a sharp buckling transition from the sphere which is strongly hysteretic in loading or unloading. We construct a minimal Landau theory for the transition using quadratic and cubic invariants of the spherical harmonic modes. Our approach suggests methods to engineer shape into soft spherical shells using a frozen defect topology.

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

    Science.gov (United States)

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

    2011-12-01

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

  15. Atom chips

    CERN Document Server

    Reichel, Jakob

    2010-01-01

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

  16. Atomic energy

    CERN Multimedia

    1996-01-01

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

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

    CERN Document Server

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

    1997-01-01

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

  18. Dynamic Analysis of Shells

    Directory of Open Access Journals (Sweden)

    Charles R. Steele

    1995-01-01

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

  19. The effect of atomic oxygen for the hollow-cathode in a 20 mN class ion thruster

    OpenAIRE

    長野, 寛; 早川, 幸男; 稲永, 康隆; 尾崎, 敏之; 首藤, 和雄; NAGANO, Hiroshi; Hayakawa, Yukio; Inanaga, Yasutaka; Ozaki, Toshiyuki; Shuto, Kazuo

    2014-01-01

    The super-low earth orbits under the altitude of 250 km are very attractive for earth and atmospheric observation. JAXA plans to launch the first test satellite in super-low altitude called SLATS. Such satellites use ion thrusters to compensate for air drag and keep their altitude. However, there are a lot of atomic oxygen in super-low earth orbit. The dispenser cathodes generally show degradation by oxidation. Therefore, the effect of atomic oxygen for the hollow-cathode was evaluated here. ...

  20. Three new [XC(O)NH]P(O)[N(CH2C6H5)2]2 phosphoric triamides (X = CClF2, 3-F-C6H4 and 3,5-F2-C6H3): a database analysis of tertiary N-atom geometry in compounds with a C(O)NHP(O)[N]2 core.

    Science.gov (United States)

    Pourayoubi, Mehrdad; Jasinski, Jerry P; Shoghpour Bayraq, Samad; Eshghi, Hossein; Keeley, Amanda C; Bruno, Giuseppe; Amiri Rudbari, Hadi

    2012-10-01

    In the phosphoric triamides N,N,N',N'-tetrabenzyl-N''-(2-chloro-2,2-difluoroacetyl)phosphoric triamide, C(30)H(29)ClF(2)N(3)O(2)P, (I), N,N,N',N'-tetrabenzyl-N''-(3-fluorobenzoyl)phosphoric triamide, C(35)H(33)FN(3)O(2)P, (II), and N,N,N',N'-tetrabenzyl-N''-(3,5-difluorobenzoyl)phosphoric triamide, C(35)H(32)F(2)N(3)O(2)P, (III), the tertiary N atoms of the dibenzylamido groups have sp(2) character with minimal deviation from planarity. The sums of the three bond angles about the N atoms in (I)-(III) deviate by less than 8° from the planar value of 360°. The geometries of the tertiary N atoms in all phosphoric triamides with C(O)NHP(O)[N](2) skeletons deposited in the Cambridge Structural Database [CSD; Allen (2002). Acta Cryst. B58, 380-388] have been examined and the bond-angle sums at the two tertiary N atoms (SUM1 and SUM2) and the parameter ΔSUM (= SUM1 - SUM2) considered. It was found that in compounds with a considerable ΔSUM value, the more pyramidal N atoms are usually oriented so that the corresponding lone electron pair is anti with respect to the P=O group. In (I), (II) and (III), the phosphoryl and carbonyl groups, separated by an N atom, are anti with respect to each other. In the C(O)NHP(O) fragment of (I)-(III), the P-N bond is longer and the O-P-N angle is contracted compared with the other two P-N bonds and the O-P-N angles in the molecules. These effects are also seen in analogous compounds deposited in the CSD. Compounds with [C(O)NH]P(O)[N]X (X ≠ N), such as compounds with a [C(O)NH]P(O)[N][O] skeleton, have not been considered here. Also, compounds with a [C(O)NH](2)P(O)[N] fragment have not been reported to date. In the crystal structures of all three title compounds, adjacent molecules are linked via pairs of P=O···H-N hydrogen bonds, forming dimers with C(i) symmetry.