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Sample records for inner-shell vacancy cascades

  1. Study of inner-shell vacancy cascades by coincidence techniques

    SciTech Connect

    LeBrun, T.; Arp, U.; MacDonald, M.; Southworth, S.H.

    1995-08-01

    An inner-shell vacancy in an atom decays by an intricate combination of Auger and fluorescence processes. The interrelation between these processes is not well understood because traditional studies of core-excited atoms focus on only one of the many particles that participate in the relaxation - largely ignoring the other components and the correlations between them. To understand these correlations we developed a coincidence technique that uses coincident detection of X-rays and electrons to select decay pathways that involve emission of both an X-ray photon and electrons. In the first application of this technique, the Ar 1s photoelectron spectrum was recorded selectively in coincidence with X-ray fluorescence to eliminate the asymmetric broadening and shifting of the energy distribution which results due to post-collision interaction with K-Auger electrons. This allowed the direct observation of the interaction between the photoelectron and the decay of core holes created after the initial photoionization event. We have also applied this technique to the much more complex problem of understanding Auger-electron spectra produced by vacancy cascades following inner-shell excitation. For example, we previously recorded non-coincident electron spectra of L{sub 2,3}MM Auger transitions following K-shell excitation of argon. Interpretation of these spectra is difficult because they are complicated and consist of many overlapping or unresolved Auger transitions between different ionic states.

  2. Inner shell vacancy filling and production in highly-charged-ion surface collisions

    SciTech Connect

    Grether, M.

    1994-12-31

    Secondary electron spectra of H-like Ne{sup 9+} ions incident with impact energies from 135 eV to 22.5 keV on a solid Al(111) surface were measured. The dependence of the K Auger electron yield on the observation angle and on the projectile energy is studied in detail. The data show clear evidence for Auger emission from below the surface even for the lowest projectile velocity. In addition, it is found that the Ne L shell filling via charge exchange decrease with decreasing impact energy and reaches zero near an incident energy of 200 eV. Also, the authors measured the intensity of the Au N{sub 5}N{sub 6,7}N{sub 6,7} Auger electrons for Ar{sup 9+} ions with kinetic energies from 125 eV up to 5.3 keV. A threshold behavior is observed in the production of target Au N{sub 5} vacancies by Ar{sup 9+} ions. To analyse the data, they calculated correlation diagrams involving model energies to obtain the internuclear distance of orbital and potential curve crossings. The comparison of experiment and theory shows that the excitation process is not expected to be due to a resonant vacancy transfer from the projectile to the target but due to a dielectronic process which is governed by the electron-electron interaction.

  3. Atomic inner-shell transitions

    NASA Technical Reports Server (NTRS)

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

    1984-01-01

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

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

    SciTech Connect

    Mohammedein, Adel M.; Ghoneim, Adel A.; Kandil, Kandil M.; Kadad, Ibrahim M.

    2010-01-05

    The vacancy cascades following initial inner-shell vacancies in single and multi-ionized atoms often lead to highly charged residual ions. The inner-shell vacancy produced by ionization processes may decay by either a radiative or non-radiative transition. In addition to the vacancy filling processes, there is an electron shake off process due to the change of core potential of the atom. In the calculation of vacancy cascades, the radiative (x-ray) and non-radiative (Auger and Coster-Kronig) branching ratios give valuable information on the de-excitation dynamics of an atom with inner-shell vacancy. The production of multi-charged ions yield by the Auger cascades following inner shell ionization of an atom has been studied both experimentally and theoretically. Multi-charged Xe ions following de-excitation of K-, L{sub 1}-, L{sub 2,3}-, M{sub 1}-, M{sub 2,3}- and M{sub 4,5} subshell vacancies are calculated using Monte-Carlo algorithm to simulate the vacancy cascade development. Fluorescence yield (radiative) and Auger, Coster- Kronig yield (non- radiative) are evaluated. The decay of K hole state through radiative transitions is found to be more probable than non-radiative transitions in the first step of de-excitation. On the other hand, the decay of L, M vacancies through non-radiative transitions are more probable. The K shell ionization in Xe atom mainly yields Xe{sup 7+}, Xe{sup 8+}, Xe{sup 9+} and Xe{sup 10+} ions, and the charged X{sup 8+} ions are the highest. The main product from the L{sub 1}- shell ionization is found to be Xe{sup 8+}, Xe{sup 9+} ions, while the charged Xe{sup 8+} ions predominate at L{sub 2,3} hole states. The charged Xe{sup 6+}, Xe{sup 7+} and Xe{sup 8+} ions mainly yield from 3s{sub 1/2} and 3p{sub 1/2,3/2} ionization, while Xe in 3d{sub 3/2,5/2} hole states mainly turns into Xe{sup 4+} and Xe{sup 5+} ions. The present results are found to agree well with the experimental data.

  5. Model for vacancy-loop nucleation in displacement cascades

    NASA Astrophysics Data System (ADS)

    Kapinos, V. G.; Bacon, D. J.

    1995-08-01

    A model is proposed for the nucleation of collapsed vacancy clusters in irradiated metals, based on the principle that a vacancy loop may be nucleated in a cascade which has melted and recrystallized. The equation of thermal conduction is solved using the discretization method and initial temperature and vacancy distributions given by the marlowe code. The model simulates the processes of heat propagation, local melting, absorption and release of latent heat, and the redistribution of the density within the melt. Under the influence of the temperature gradient, the concentration of vacancies in the depleted zone increases. Simulation of hundreds of cascades gives the distribution of zones as a function of vacancy concentration and number of vacancies in them, and it is assumed that critical values Ccr and Ncrv have to be achieved to produce a visible vacancy loop. However, if the concentration exceeds a value Camv under sufficiently fast cooling, for example under strong electron-phonon coupling (EPC), the melted zone cannot crystallize completely and solidifies instead to a semiamorphous core. This prevents collapse to a vacancy loop. The model has been used to calculate the yield and mean size of vacancy loops in ion-irradiated Cu, Ni, and Cu-Ge and Cu-Ni alloys. Physically reasonable values of Ccr, Ncr, and Camv have been obtained to give good agreement with experimental values of yield and size. Furthermore, the trends with alloy content can be explained, and it is found that EPC can have a strong influence on loop yield.

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

    SciTech Connect

    Mohammedein, Adel M.; Ghoneim, Adel A.; Al-Zanki, Jasem M.; El-Essawy, Ashraf H.

    2010-01-05

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

  7. Threshold Phenomena in Atomic Inner Shells

    NASA Astrophysics Data System (ADS)

    Wang, Honghong

    1995-01-01

    Two types of atomic inner-shell threshold phenomena are studied: (1) atomic inner-shell radiationless resonant Raman scattering (RRRS) as a function of excitation energy, and (2) the onset of Cu Coster-Kronig (CK) transitions due to extraatomic relaxation, as a function of cluster size. (1). The K-L_{2,3}L _{2,3} and L_{2,3 }-VV Auger spectra of P in InP were measured in the vicinity of the P K-shell ionization threshold as well as at high excess energies. The evolution of the P K-L_{2,3 }L_{2,3} ^1D Auger spectrum from the radiationless resonant Raman scattering regime into the normal Auger transition regime in InP is found to be in accordance with time-independent resonant scattering theory of inner-shell threshold phenomena. The measured RRRS intensity reveals a quasi-bound state in the bulk-sensitive P K absorption spectrum. The origins of deviations of the RRRS energy from linear dispersion are examined in terms of the finite incident-photon-energy distribution and multiple resonances. Both our measurements and semiclassical calculations show that the post-collision interaction effect is relatively small. The measured P K-L_{2,3}L_{2,3} intensities and P 1s lifetime width are found to be in good agreement with atomic calculations, revealing the predominantly atomic character of P inner-shell transitions in InP. The evolution of P L_{2,3 }-VV Auger transitions in InP is found to be sensitive to the excitation energy at the P 1s threshold; the P K-L_{2,3}L_{2,3 } Raman resonance causes changes in the L _{2,3}-VV diagram-transition line shape as well as intensity enhancement of all L _{2,3}-VV features. Applying the Cini-Sawatzky model to the line shape reveals a 0.3-eV change in the local effective Coulomb interaction U _{eff} near the resonance. The difference in the line shapes between the satellite and diagram transitions indicates a change of the local density of states in the valence band in the presence of a spectator 2p hole. The single- and double-2p

  8. Inner-shell excitation spectroscopy of peroxides

    NASA Astrophysics Data System (ADS)

    Harding, K. L.; Kalirai, S.; Hayes, R.; Ju, V.; Cooper, G.; Hitchcock, A. P.; Thompson, M. R.

    2015-11-01

    O 1s inner-shell excitation spectra of a number of vapor phase molecules containing peroxide bonds - hydrogen peroxide (H2O2), di-t-butylperoxide (tBuOtBu), benzoyl peroxide, ((C6H5(CO)O)2), luperox-F [1,3(4)-bis(tertbutylperoxyisopropyl) benzene], and analogous, non-peroxide compounds - water, t-butanol and benzoic acid have been measured. C 1s spectra are also reported. O 1s spectra of solid benzoic acid, di-t-butylperoxide and luperox-F recorded using a scanning transmission X-ray microscope, are also reported, and compared to the corresponding gaseous spectra. Spectral interpretation was aided by comparing the spectra of the peroxide and non-peroxide counterparts and with ab initio calculations. A characteristic O 1s → σ∗O-O transition at 533.0(3) eV is identified in each peroxide species, which is absent in the corresponding non-peroxide counterpart species. The energy and intensity of the 533 eV peroxide feature is stable and thus useful for analysis of peroxides in mixtures, such as tracking residual peroxide initiators, or peroxides produced in fuel cells.

  9. The formation and stability of He-vacancy clusters within displacement cascades in α-Fe

    SciTech Connect

    Gao, Fei; Heinisch, Howard L.; Kurtz, Richard J.

    2007-10-25

    Molecular dynamics (MD) methods have been utilized to study the formation of vacancy clusters created by displacement cascades in α-Fe containing concentrations of substitutional He atoms varying from 1-5%. These He concentrations are not necessarily intended to represent specific conditions within a fusion reactor (average end-of-life He concentrations in the first wall are expected to be on the order of 0.15%), but they provide an opportunity to investigate the effects of substantial amounts of He on cascade processes and microstructure development under damage producing conditions.

  10. X-ray fluorescence/Auger-electron coincidence spectroscopy of vacancy cascades in atomic argon

    SciTech Connect

    Arp, U.; LeBrun, T.; Southworth, S.H.; Jung, M.; MacDonald, M.A.

    1996-12-01

    Argon L{sub 2.3}-M{sub 2.3}M{sub 2.3} Auger-electron spectra were measured in coincidence with K{alpha} fluorescent x-rays in studies of Ar K-shell vacancy decays at several photon energies above the K-threshold and on the 1s-4p resonance in atomic argon. The complex spectra recorded by conventional electron spectroscopy are greatly simplified when recorded in coincidence with fluorescent x-rays, allowing a more detailed analysis of the vacancy cascade process. The resulting coincidence spectra are compared with Hartree-Fock calculations which include shake-up transitions in the resonant case. Small energy shifts of the coincidence electron spectra are attributed to post-collision interaction with 1s photoelectrons.

  11. Do inner shells of double-walled carbon nanotubes fluoresce?

    PubMed

    Tsyboulski, Dmitri A; Hou, Ye; Fakhri, Nikta; Ghosh, Saunab; Zhang, Ru; Bachilo, Sergei M; Pasquali, Matteo; Chen, Liwei; Liu, Jie; Weisman, R Bruce

    2009-09-01

    The reported fluorescence from inner shells of double-walled carbon nanotubes (DWCNTs) is an intriguing and potentially useful property. A combination of bulk and single-molecule methods was used to study the spectroscopy, chemical quenching, mechanical rigidity, abundance, density, and TEM images of the near-IR emitters in DWCNT samples. DWCNT inner shell fluorescence is found to be weaker than SWCNT fluorescence by a factor of at least 10,000. Observable near-IR emission from DWCNT samples is attributed to SWCNT impurities. PMID:19653638

  12. An efficient, selective collisional ejection mechanism for inner-shell population inversion in laser-driven plasmas

    SciTech Connect

    SCHROEDER,W. ANDREAS; NELSON,THOMAS R.; BORISOV,A.B.; LONGWORTH,J.W.; BOYER,K.; RHODES,C.K.

    2000-06-07

    A theoretical analysis of laser-driven collisional ejection of inner-shell electrons is presented to explain the previously observed anomalous kilovolt L-shell x-ray emission spectra from atomic Xe cluster targets excited by intense sub-picosecond 248nrn ultraviolet radiation. For incident ponderomotively-driven electrons photoionized by strong above threshold ionization, the collisional ejection mechanism is shown to be highly l-state and significantly n-state (i.e. radially) selective for time periods shorter than the collisional dephasing time of the photoionized electronic wavefunction. The resulting preference for the collisional ejection of 2p electrons by an ionized 4p state produces the measured anomalous Xe(L) emission which contains direct evidence for (i) the generation of Xe{sup 27+}(2p{sup 5}3d{sup 10}) and Xe{sup 28+}(2p{sup 5}3d{sup 9}) ions exhibiting inner-shell population inversion and (ii) a coherent correlated electron state collision responsible for the production of double 2p vacancies. For longer time periods, the selectivity of this coherent impact ionization mechanism is rapidly reduced by the combined effects of intrinsic quantum mechanical spreading and dephasing--in agreement with the experimentally observed and extremely strong {minus}{lambda}{sup {minus}6} pump-laser wavelength dependence of the efficiency of inner-shell (2p) vacancy production in Xe clusters excited in underdense plasmas.

  13. Inner-shell Photoionization Studies of Neutral Atomic Nitrogen

    NASA Astrophysics Data System (ADS)

    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.

  14. Cascade decays of hollow ions

    SciTech Connect

    Omar, G. ); Hahn, Y. )

    1991-05-01

    A multiple-electron-emission process for atoms with one or more inner-shell vacancies is treated using the radiative- and Auger-electron-emission cascade model, in which inner-shell holes are assumed to decay by sequentially emitting radiations and/or Auger electrons. Such hollow ions are produced by synchrotron irradiation of atomic targets and in ion-surface interactions with multiple-electron transfers. The final charge-state distribution is determined by the Auger and radiative branching ratios at each stage of the decay sequence. At intermediate stages of cascade, hollow ions with more than one hole in different ionization stages are created. The Ne, Mg, and Fe{sup 14+} ions with the initial 1{ital s}, 2{ital s}, and 2{ital p} vacancies are considered in detail, and the core charge dependence of the maximum charge state is studied. The hollow Mg ion with double initial 1{ital s} holes is analyzed, and the result compared with that for the case of one 1{ital s} hole. The peak is shifted more than two units to a higher degree of ionization. The correlated shake-off and shake-up multiple-electron processes are not considered, but they are expected to cause further shifts.

  15. Triple ionization of atomic Cd involving 4 p-1 and 4 s-1 inner-shell holes

    NASA Astrophysics Data System (ADS)

    Andersson, J.; Beerwerth, R.; Linusson, P.; Eland, J. H. D.; Zhaunerchyk, V.; Fritzsche, S.; Feifel, R.

    2015-08-01

    The triple ionization spectrum of atomic Cd formed upon the removal of a 4 p or a 4 s inner-shell electron and subsequent Auger decays has been obtained at 200 eV photon energy. By using a versatile multielectron coincidence detection technique based on a magnetic bottle spectrometer in combination with multiconfiguration Dirac-Fock calculations, Auger cascades leading to tricationic final states have been analyzed and final-state configurations have been identified. The most prominent Auger cascades leading to the ground state of Cd3 + have been identified in good agreement with theory.

  16. Inner-shell excitation and ionic fragmentation of molecules

    SciTech Connect

    Hitchcock, A.P.; Tyliszczak, T.; Cavell, R.G.

    1997-04-01

    Inner-shell excitation and associated decay spectroscopies are site specific probes of electronic and geometrical structure and photoionization dynamics. X-ray absorption probes the geometric and electronic structure, while time-of-flight mass spectrometry with multi-coincidence detection provides information on the photofragmentation dynamics of the initially produced inner-shell state. Auger decay of inner-shell excited and ionised states is an efficient source of multiply charged ions. The charge separation and fragmentation of these species, studied by photoelectron-photoion-photoion coincidence (also called charge separation mass spectrometry) gives insights into bonding and electronic structure. In molecules, the dependence of the fragmentation process on the X-ray energy can reveal cases of site and/or state selective fragmentation. At the ALS the authors have examined the soft X-ray spectroscopy and ionic fragmentation of a number of molecules, including carboranes, silylenes, phosphorus halides, SF{sub 6} and CO{sub 2}. Their work is illustrated using results from the carborane and PF{sub 3} studies.

  17. Report on the 18th International Conference on X-ray and Inner-Shell Processes (X99).

    SciTech Connect

    Gemmell, D. S.; Physics

    2000-01-01

    The 18th conference of the series served as a forum for discussing fundamental issues in the field of x-ray and inner-shell processes and their application in various disciplines of science and technology. Special emphasis was given to the opportunities offered by modern synchrotron x-ray sources. The program included plenary talks, progress reports and poster presentations relating to new developments in the field of x-ray and inner-shell processes. The range of topics included: X-ray interactions with atoms, molecules, clusters, surfaces and solids; Decay processes for inner-shell vacancies; X-ray absorption and emission spectroscopy - Photoionization processes; Phenomena associated with highly charged ions and collisions with energetic particles; Electron-spin and -momentum spectroscopy; X-ray scattering and spectroscopy in the study of magnetic systems; Applications in materials science, biology, geosciences, and other disciplines; Elastic and inelastic x-ray scattering processes in atoms and molecules; Threshold phenomena (post-collision interaction, resonant Raman processes, etc.); Nuclear absorption and scattering of x-rays; 'Fourth-generation' x-ray sources; Processes exploiting the polarization and coherence properties of x-ray beams; Developments in experimental techniques (x-ray optics, temporal techniques, detectors); Microscopy, spectromicroscopy, and various imaging techniques; Non-linear processes and x-ray lasers; Ionization and excitation induced by charged particles and by x-rays; and Exotic atoms (including 'hollow' atoms and atoms that contain 'exotic' particles).

  18. On the difference in oscillator strengths of inner shell excitations in noble gases and their alkali neighbors

    SciTech Connect

    Amusia, M.Y.; Baltenkov, A.S.; Zhuravleva, G.I.

    1995-08-01

    It is demonstrated that the oscillator strength of resonant inner-shell excitation in a noble gas atom is considerably smaller than that in its alkali neighbor because in the latter case the effective charge acting upon excited electron is much bigger. With increase of the excitation`s principal quantum number the difference between line intensities in noble gases and their alkali neighbors rapidly disappears. The calculations are performed in the Hartree-Fock approximation and with inclusion of rearrangement effects due to inner vacancy creation and its Auger decay. A paper has been submitted for publication.

  19. Inner-shell photoionized x-ray lasers

    SciTech Connect

    Moon, S.J.

    1998-06-01

    The inner-shell photoionized x-ray lasing scheme is an attractive method for achieving x-ray lasing at short wavelengths, via population inversion following inner-shell photoionization (ISPI). This scheme promises both a short wavelength and a short pulse source of coherent x rays with high average power. In this dissertation a very complete study of the ISPI x-ray laser scheme is done concerning target structure, filter design and lasant medium. An investigation of the rapid rise time of x-ray emission from targets heated by an ultra-short pulse high-intensity optical laser was conducted for use as the x-ray source for ISPI x-ray lasing. Lasing by this approach in C at a wavelength of 45 {angstrom} requires a short pulse (about 50 fsec) driving optical laser with an energy of 1-5 J and traveling wave optics with an accuracy of {approximately} 15 {micro}m. The optical laser is incident on a high-Z target creating a high-density plasma which emits a broadband spectrum of x rays. This x-ray source is passed through a filter to eliminate the low-energy x rays. The remaining high-energy x rays preferentially photoionize inner-shell electrons resulting in a population inversion. Inner-shell photoionized x-ray lasing relies on the large energy of a K-{alpha} transition in the initially neutral lasant. The photo energy required to pump this scheme is only slightly greater than the photon energy of the lasing transition yielding a lasing scheme with high quantum efficiency. However, the overall efficiency is reduced due to low x-ray conversion efficiency and the large probability of Auger decay yielding an overall efficiency of {approximately} 10{sup {minus}7} resulting in an output energy of {micro}J's. They calculate that a driving laser with a pulse duration of 40 fs, a 10{micro}m x 1 cm line focus, and an energy of 1 J gives an effective gain length product (gl) of 10 in C at 45 {angstrom}. At saturation (gl {approximately} 18) they expect an output of {approximately

  20. Inner shell radial pin geometry and mounting arrangement

    DOEpatents

    Leach, David; Bergendahl, Peter Allen

    2002-01-01

    Circumferentially spaced arrays of support pins are disposed through access openings in an outer turbine shell and have projections received in recesses in forward and aft sections of an inner turbine shell supported from the outer shell. The projections have arcuate sides in a circumferential direction affording line contacts with the side walls of the recesses and are spaced from end faces of the recesses, enabling radial and axial expansion and contraction of the inner shell relative to the outer shell. All loads are taken up in a tangential direction by the outer shell with the support pins taking no radial loadings.

  1. An efficient, selective collisional ejection mechanism for inner-shell population inversion in laser-driven plasmas

    NASA Astrophysics Data System (ADS)

    Schroeder, W. Andreas; Nelson, T. R.; Borisov, A. B.; Longworth, J. W.; Boyer, K.; Rhodes, C. K.

    2001-02-01

    A theoretical analysis of laser-driven collisional ejection of inner-shell electrons is presented to explain the previously observed anomalous kilovolt L-shell x-ray emission spectra from atomic Xe cluster targets excited by intense sub-picosecond 248 nm ultraviolet radiation (McPherson A et al 1994 Nature 370 631-4). For incident ponderomotively-driven electrons photoionized by strong above threshold ionization, the collisional ejection mechanism is shown to be highly l-state and significantly n-state (i.e. radially) selective for time periods shorter than the collisional dephasing time of the photoionized electronic wavefunction. The resulting preference for the collisional ejection of 2p electrons by an ionized 4p state produces the measured anomalous Xe(L) emission which contains direct evidence for (i) the generation of Xe27+(2p53d10) and Xe28+(2p53d9) ions exhibiting inner-shell population inversion and (ii) a coherent correlated electron state collision responsible for the production of double 2p vacancies. For longer time periods, the selectivity of this coherent impact ionization mechanism is rapidly reduced by the combined effects of intrinsic quantum mechanical spreading and dephasing - in agreement with the experimentally observed and extremely strong ~λ-6 pump-laser wavelength dependence of the efficiency of inner-shell (2p) vacancy production in Xe clusters excited in underdense plasmas (Kondo K et al 1997 J. Phys. B: At. Mol. Opt. Phys. 30 2707-16).

  2. Inner-Shell Photodetachment of Nickel Negative Ions

    NASA Astrophysics Data System (ADS)

    Dumitriu, Ileana; Bilodeau, Rene; Gibson, Daniel; Walter, Wes; Gorczyca, Thomas; Aguilar, Alex; Rolles, Daniel; Pesic, Zoran; Berrah, Nora

    2015-05-01

    Transition metals are of interest for their catalytic properties and participation of d-orbital electrons in the bonding properties. Theoretical studies of transition metal negative ions are challenging due to strong electron correlation effects and existence of low-lying electronic states as a result of open d-shell configurations. Experimental studies of transition metal negative ions are limited compared with the ions belonging to the main groups of periodic table and these studies have mostly investigated the valence-shell electrons using laser spectroscopy. Our experiment focuses on inner-shell photodetachment studies of Ni- transition metal ions using the Ion-Photon Beamline on the ALS beamline 10.0.1. Inner-shell photodetachment spectrum was recorded over a range of 30 to 90 eV which includes the 3 p threshold for Ni-. The higher-charge state formation was also observed, indicating multi-electron ejection processes. The absolute cross-section for the production of Ni+ will also be presented.

  3. Dislocation-enhanced experimental-scale vacancy loop formation in hcp Zirconium in one single collision cascade

    PubMed Central

    Zhou, Wei; Tian, Jiting; Zheng, Jian; Xue, Jianming; Peng, Shuming

    2016-01-01

    Large defects are the main factor leading to the degradation of material properties under irradiation environments. It is commonly assumed that the large defects are mainly formed through cluster growth under continuous irradiations. Besides this mechanism, recent experiments and simulations show that sometimes an individual ion can also directly create a large defect. Here we report a novel mechanism for the formation of the large defects, as discovered by our Molecular Dynamics (MD) simulations of the collision cascades in hcp Zirconium (Zr): a pre-existing edge dislocation (ED) can significantly promote the nucleation of the vacancy clusters, and even facilitate the direct formation of an experimental-scale large vacancy loop (about 3 nm) in only one single displacement cascade. This dislocation-related mechanism may be the key for understanding the experimental results in the low-dose irradiated Zr where the high-density large dislocation loops are observed but difficult to be explained by the two mechanisms mentioned above. Considering that intrinsic dislocations exist in nearly all crystalline materials, our results provide a significant concept: pre-existing dislocations have a strong influence on the primary damage production, and taking them into account is indispensable for assessing and improving the material’s irradiation-resistance. PMID:26868496

  4. Cross Sections for Inner-Shell Ionization by Electron Impact

    SciTech Connect

    Llovet, Xavier; Powell, Cedric J.; Salvat, Francesc; Jablonski, Aleksander

    2014-03-15

    An analysis is presented of measured and calculated cross sections for inner-shell ionization by electron impact. We describe the essentials of classical and semiclassical models and of quantum approximations for computing ionization cross sections. The emphasis is on the recent formulation of the distorted-wave Born approximation by Bote and Salvat [Phys. Rev. A 77, 042701 (2008)] that has been used to generate an extensive database of cross sections for the ionization of the K shell and the L and M subshells of all elements from hydrogen to einsteinium (Z = 1 to Z = 99) by electrons and positrons with kinetic energies up to 1 GeV. We describe a systematic method for evaluating cross sections for emission of x rays and Auger electrons based on atomic transition probabilities from the Evaluated Atomic Data Library of Perkins et al. [Lawrence Livermore National Laboratory, UCRL-ID-50400, 1991]. We made an extensive comparison of measured K-shell, L-subshell, and M-subshell ionization cross sections and of Lα x-ray production cross sections with the corresponding calculated cross sections. We identified elements for which there were at least three (for K shells) or two (for L and M subshells) mutually consistent sets of cross-section measurements and for which the cross sections varied with energy as expected by theory. The overall average root-mean-square deviation between the measured and calculated cross sections was 10.9% and the overall average deviation was −2.5%. This degree of agreement between measured and calculated ionization and x-ray production cross sections was considered to be very satisfactory given the difficulties of these measurements.

  5. Transition energy and potential energy curves for ionized inner-shell states of CO, O2 and N 2 calculated by several inner-shell multiconfigurational approaches.

    PubMed

    Moura, Carlos E V de; Oliveira, Ricardo R; Rocha, Alexandre B

    2013-05-01

    Potential energy curves and inner-shell ionization energies of carbon monoxide, oxygen and nitrogen molecules were calculated using several forms of the inner-shell multiconfigurational self-consistent field (IS-MCSCF) method-a recently proposed protocol to obtain specifically converged inner-shell states at this level. The particular forms of the IS-MCSCF method designated IS-GVB-PP, IS-FVBL and IS-CASSCF stand for perfect pairing generalized valence bond, full valence bond-like MCSCF and complete active space self consistent field, respectively. A comparison of these different versions of the IS-MCSCF method was carried out for the first time. The results indicate that inner-shell states are described accurately even for the simplest version of the method (IS-GVB-PP). Dynamic correlation was recovered by multireference configuration interaction or multireference perturbation theory. For molecules not having equivalent atoms, all methods led to comparable and accurate transition energies. For molecules with equivalent atoms, the most accurate results were obtained by multireference perturbation theory. Scalar relativistic effects were accounted for using the Douglas-Kroll-Hess Hamiltonian. PMID:23070335

  6. Optimization of ship inner shell to improve the safety of seagoing transport ship

    NASA Astrophysics Data System (ADS)

    Yu, Yan-Yun; Lin, Yan

    2013-09-01

    A practical Ship Inner Shell Optimization Method (SISOM), the purpose of which is to improve the safety of the seagoing transport ship by decreasing the maximum Still Water Bending Moment (SWBM) of the hull girder under all typical loading conditions, is presented in this paper. The objective of SISOM is to make the maximum SWBM minimum, and the section areas of the inner shell are taken as optimization variables. The main requirements of the ship performances, such as cargo hold capacity, propeller and rudder immersion, bridge visibility, damage stability and prevention of pollution etc., are taken as constraints. The penalty function method is used in SISOM to change the above nonlinear constraint problem into an unconstrained one, which is then solved by applying the steepest descent method. After optimization, the optimal section area distribution of the inner shell is obtained, and the shape of inner shell is adjusted according to the optimal section area. SISOM is applied to a product oil tanker and a bulk carrier, and the maximum SWBM of the two ships is significantly decreased by changing the shape of inner shell plate slightly. The two examples prove that SISOM is highly efficient and valuable to engineering practice.

  7. Localized hole effects in inner-shell excitation

    SciTech Connect

    Rescigno, T.N.; Orel, A.E.

    1983-10-14

    Ab initio calculations of valence shell ionization potentials have shown that orbital relaxation and correlation differences usually make contributions of comparable magnitude. In marked contrast to this observation is the situation for deep core ionization, where correlation differences (approx. 1 eV) play a relatively minor role compared to orbital relaxation (approx. 20 eV). Theoretical calculations have shown that this relaxation is most easily described if the 1s-vacancy created by a K-shell excitation is allowed to localize on one of the atomic centers. For molecules possessing a center of inversion, this means that the molecular orbitals that best describe the final state do not transform as any irreducible representation of the molecular point group. Recent experimental work by Shaw, King, Read and Cvejanovic and by Stefani and coworkers has prompted us to carry out further calculations on N/sub 2/, as well as analogous investigations of 1s/sub N/ ..-->.. ..pi..* excitation in NO and N/sub 2/O. The generalized oscillator strengths display a striking similarity and point to the essential correctness of the localized hole picture for N/sub 2/. The theoretical calculations are briefly described, followed by a summary of the results and comparison to experiment, followed by a short discussion.

  8. Inner Shell Photodetachment Of Na- Using The Multi-Configuration Tamm-Dancoff Approximation

    NASA Astrophysics Data System (ADS)

    Jose, J.; Pradhan, G. B.; Radojevic, V.; Manson, S. T.; Deshmukh, P. C.

    2010-07-01

    The multi-configuration Tamm-Dancoff approximation (MCTD) is used to calculate the inner shell photodetachment of the Na anion. The results reproduce a resonance peak in agreement with existing experimental and theoretical data. The current work emphasizes the importance of doing configuration interaction (CI) type calculations, and proves MCTD is an apt tool to investigate the photoionization/photodetachment process.

  9. Multi-electron coincidence spectroscopy: double photoionization from molecular inner-shell orbitals

    NASA Astrophysics Data System (ADS)

    Hikosaka, Y.; Lablanquie, P.; Penent, F.; Nakano, M.; Ito, K.

    2014-04-01

    We have studied double photoionization from molecular inner-shell orbitals and investigated the properties of the resultant double core-hole states in molecules, by multi-electron coincidence spectroscopy with a magnetic bottle electron spectrometer. A brief summary of our previous studies is presented.

  10. Characterizing inner-shell with spectral phase interferometry for direct electric-field reconstruction

    PubMed Central

    Mashiko, Hiroki; Yamaguchi, Tomohiko; Oguri, Katsuya; Suda, Akira; Gotoh, Hideki

    2014-01-01

    In many atomic, molecular and solid systems, Lorentzian and Fano profiles are commonly observed in a broad research fields throughout a variety of spectroscopies. As the profile structure is related to the phase of the time-dependent dipole moment, it plays an important role in the study of quantum properties. Here we determine the dipole phase in the inner-shell transition using spectral phase interferometry for direct electric-field reconstruction (SPIDER) with isolated attosecond pulses (IAPs). In addition, we propose a scheme for pulse generation and compression by manipulating the inner-shell transition. The electromagnetic radiation generated by the transition is temporally compressed to a few femtoseconds in the extreme ultraviolet (XUV) region. The proposed pulse-compression scheme may provide an alternative route to producing attosecond pulses of light. PMID:25510971

  11. Inner-shell electron effects in strong-field double ionization of Xe

    NASA Astrophysics Data System (ADS)

    Yuan, Zongqiang; Ye, Difa; Liu, Jie; Fu, Libin

    2016-06-01

    We investigate theoretically the inner-shell electron effects in strong-field double ionization of Xe by a comparative study with two different three-dimensional semiclassical models, i.e., the widely used helium-like model and an improved Green-Sellin-Zachor (GSZ) model. The enhanced double-ionization signals through sequential ionization and recollision-induced excitation with subsequent field ionization are identified as two origins of the nonstructured pattern in the correlated electron momentum spectrum observed in a recent experiment [Phys. Rev. Lett. 113, 103001 (2014), 10.1103/PhysRevLett.113.103001]. The relationship between these enhancements and the inner-shell electrons is revealed by back analysis of the classical trajectories.

  12. A new method for ship inner shell optimization based on parametric technique

    NASA Astrophysics Data System (ADS)

    Yu, Yan-Yun; Lin, Yan; Li, Kai

    2015-01-01

    A new method for ship Inner Shell optimization, which is called Parametric Inner Shell Optimization Method (PISOM), is presented in this paper in order to improve both hull performance and design efficiency of transport ship. The foundation of PISOM is the parametric Inner Shell Plate (ISP) model, which is a fully-associative model driven by dimensions. A method to create parametric ISP model is proposed, including geometric primitives, geometric constraints, geometric constraint solving etc. The standard optimization procedure of ship ISP optimization based on parametric ISP model is put forward, and an efficient optimization approach for typical transport ship is developed based on this procedure. This approach takes the section area of ISP and the other dominant parameters as variables, while all the design requirements such as propeller immersion, fore bottom wave slap, bridge visibility, longitudinal strength etc, are made constraints. The optimization objective is maximum volume of cargo oil tanker/cargo hold, and the genetic algorithm is used to solve this optimization model. This method is applied to the optimization of a product oil tanker and a bulk carrier, and it is proved to be effective, highly efficient, and engineering practical.

  13. Ultrafast Excitation of an Inner-Shell Electron by Laser-Induced Electron Recollision

    NASA Astrophysics Data System (ADS)

    Deng, Yunpei; Zeng, Zhinan; Jia, Zhengmao; Komm, Pavel; Zheng, Yinhui; Ge, Xiaochun; Li, Ruxin; Marcus, Gilad

    2016-02-01

    Extreme ultraviolet attosecond pulses, generated by a process known as laser-induced electron recollision, are a key ingredient for attosecond metrology, providing a tool to precisely initiate and probe subfemtosecond dynamics in atoms, molecules, and solids. However, extending attosecond metrology to scrutinize the dynamics of the inner-shell electrons is a challenge, that is because of the lower efficiency in generating the required soft x-ray (ℏω >300 eV ) attosecond bursts. A way around this problem is to use the recolliding electron to directly initiate the desired inner-shell process, instead of using the currently low flux x-ray attosecond sources. Such an excitation process occurs in a subfemtosecond time scale, and may provide the necessary "pump" step in a pump-probe experiment. Here we used a few cycle infrared (λ0≈1800 nm ) source and observed direct evidence for inner-shell excitations through the laser-induced electron recollision process. It is the first step toward time-resolved core-hole studies in the keV energy range with subfemtosecond time resolution.

  14. Ultrafast Excitation of an Inner-Shell Electron by Laser-Induced Electron Recollision.

    PubMed

    Deng, Yunpei; Zeng, Zhinan; Jia, Zhengmao; Komm, Pavel; Zheng, Yinhui; Ge, Xiaochun; Li, Ruxin; Marcus, Gilad

    2016-02-19

    Extreme ultraviolet attosecond pulses, generated by a process known as laser-induced electron recollision, are a key ingredient for attosecond metrology, providing a tool to precisely initiate and probe subfemtosecond dynamics in atoms, molecules, and solids. However, extending attosecond metrology to scrutinize the dynamics of the inner-shell electrons is a challenge, that is because of the lower efficiency in generating the required soft x-ray (ℏω>300  eV) attosecond bursts. A way around this problem is to use the recolliding electron to directly initiate the desired inner-shell process, instead of using the currently low flux x-ray attosecond sources. Such an excitation process occurs in a subfemtosecond time scale, and may provide the necessary "pump" step in a pump-probe experiment. Here we used a few cycle infrared (λ_{0}≈1800  nm) source and observed direct evidence for inner-shell excitations through the laser-induced electron recollision process. It is the first step toward time-resolved core-hole studies in the keV energy range with subfemtosecond time resolution. PMID:26943536

  15. Inner-shell photodetachment from a Si‑ negative ion: strong effect of many-electron correlations

    NASA Astrophysics Data System (ADS)

    Schrange-Kashenock, G.

    2016-06-01

    The first theoretical investigation of the inner-shell single-photodetachment from the Si‑ (1s22s22p63s23p3 4So) negative ion is presented. The partial and total cross sections, the photoelectron phaseshifts, and the parameters of angular anisotropy are calculated in the framework of the many-body theory for L-shell photodetachment from Si‑ ion in the experimentally accessible range of photon energies (7.5–14 Ry). Comparison is made between the calculations of the response of the ionic many-electron system Si‑ to an electromagnetic field at the different levels of approximation: the ‘frozen-field’ random phase approximation with exchange (RPAE), and the static relaxation approximation. The optimal analysis is made when the dynamic relaxation and polarization are included within the Dyson equation method (DEM) simultaneously with the RPAE corrections (the RPAE&DEM approach). It is predicted that the photoexcitation to a resonance state of complex ‘shape-Feschbach’ nature in the open p-shell reveals itself as a prominent resonance structure in the photodetachment cross sections in the energy range of the 2s and 2p inner shell thresholds similar to that in 1s inner-shell photodetachment from C‑ (2006 J. Phys. B: At. Mol. Opt. Phys. 39 1379). The photodetachment dynamical characteristics clearly demonstrate the significance of all the considered many-electron correlations within the RPAE&DEM approach, however the total photodetachment cross section is dominated by a strong resonance peak just after the 2s threshold. Dynamical relaxation (screening) is identified as a decisive factor in the formation of this resonance.

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

    SciTech Connect

    Lindle, D.W.

    1983-12-01

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

  17. Inner-shell excitations of krypton 3d investigated by electron impact with high resolution

    SciTech Connect

    Yuan Zhensheng; Zhu Linfan; Liu Xiaojing; Li Wenbin; Cheng Huadong; Sun Jianmin; Xu Kezun

    2005-06-15

    The inner-shell excitation spectra of krypton 3d electrons were measured at scattering angles of 0 deg. and 4 deg. by a fast-electron energy-loss spectrometer at an incident energy of 2.5 keV with an energy resolution better than 80 meV. Some interesting optically forbidden transitions were observed and the natural widths of the optically allowed and optically forbidden transitions were analyzed. It shows that the natural widths for the resonances having the same core hole are nearly equal, no matter whether they are optically allowed, optically forbidden, or different members of a Rydberg series.

  18. Inner-Shell Photodetachment Thresholds: Unexpected Long-Range Validity of the Wigner Law

    NASA Astrophysics Data System (ADS)

    Bilodeau, R. C.; Bozek, J. D.; Gibson, N. D.; Walter, C. W.; Ackerman, G. D.; Dumitriu, I.; Berrah, N.

    2005-08-01

    Threshold behavior in inner-shell photodetachment is studied for the first time, specifically with 2-, 3-, or 4-electron emission from He- and S-. The threshold shapes are surprisingly consistent with the Wigner threshold law in all cases, despite large PCI effects observed in He-. In S-, the s-wave law is observed to agree with the data over an unprecedented range, more than an order of magnitude greater than predictions, and allows for the observation of the d-wave component. The measurements also demonstrate a means for obtaining precise core-excitation energies of free atoms.

  19. Inner-Shell Photoionization: Teijo A˚berg's Concept of RRRS

    NASA Astrophysics Data System (ADS)

    Armen, G. Bradley

    2003-01-01

    Teijo Åberg died on December 29, 2000 — and with his passing we have lost a gifted and important member of our community. Over the years Teijo has made many major contributions to the science of x-ray and inner-shell physics. Perhaps the most visionary of these was his idea of radiative and radiationless resonant Raman scattering (RRRRS) [1]. This arose as an outgrowth of his earlier thoughts on Auger [2] and x-ray [3] processes. It is visionary in that it attempts to unify the various aspects of inner-shell photoexcitation and decay as different aspects of the same basic process, i.e. resonant inelastic x-ray scattering. In honor and memory of Teijo, and as a last attempt to promote his ideas, I describe here the theory and some of its consequences. First, RRRRS is outlined in a semi-rigorous form, with emphasis placed on the physical nature of the concepts. Then, using the example of atomic K-shell photoionization, we see how features such as fluorescence and photoelectron lines arise in a natural way as manifestations of resonance scattering.

  20. Inner shell excitation spectroscopy of transient molecules: HBS, HBO, and H3B3O3

    NASA Astrophysics Data System (ADS)

    Ennis, L. E.; Hitchcock, A. P.

    1999-08-01

    Inner shell electron energy spectroscopy (ISEELS) was used to study HBS, HBO, and H3B3O3, reactive, transient species generated in situ. The reaction of H2S with crystalline boron in a quartz tube was used to produce thioborine (HBS) at ˜1100 °C, and borine (HBO) at ˜1200 °C. The reaction of H2O vapor with crystalline boron in a quartz tube at ˜1200 °C was used to produce boroxine (H3B3O3). These species were identified from their inner shell excitation spectra and mass spectrometry. The B 1s, S 2s, and S 2p ISEEL spectra of HBS, and the B 1s and O 1s spectra of HBO and H3B3O3 are reported and analyzed with the help of GSCF3 ab initio calculations. A reaction scheme is proposed for the generation of HBO from the reaction of H2S and boron in a heated quartz tube.

  1. Inner-shell radiation from wire array implosions on the Zebra generator

    SciTech Connect

    Ouart, N. D.; Giuliani, J. L.; Dasgupta, A.; Safronova, A. S.; Kantsyrev, V. L.; Esaulov, A. A.; Shrestha, I.; Weller, M. E.; Shlyaptseva, V.; Osborne, G. C.; Stafford, A.; Keim, S.; Apruzese, J. P.; Clark, R. W.

    2014-03-15

    Implosions of brass wire arrays on Zebra have produced L-shell radiation as well as inner-shell Kα and Kβ transitions. The L-shell radiation comes from ionization stages around the Ne-like charge state that is largely populated by a thermal electron energy distribution function, while the K-shell photons are a result of high-energy electrons ionizing or exciting an inner-shell (1s) electron from ionization stages around Ne-like. The K- and L-shell radiations were captured using two time-gated and two axially resolved time-integrated spectrometers. The electron beam was measured using a Faraday cup. A multi-zone non-local thermodynamic equilibrium pinch model with radiation transport is used to model the x-ray emission from experiments for the purpose of obtaining plasma conditions. These plasma conditions are used to discuss some properties of the electron beam generated by runaway electrons. A simple model for runaway electrons is examined to produce the Kα radiation, but it is found to be insufficient.

  2. Inner-shell radiation from wire array implosions on the Zebra generator

    NASA Astrophysics Data System (ADS)

    Ouart, N. D.; Giuliani, J. L.; Dasgupta, A.; Safronova, A. S.; Kantsyrev, V. L.; Esaulov, A. A.; Shrestha, I.; Weller, M. E.; Shlyaptseva, V.; Osborne, G. C.; Stafford, A.; Keim, S.; Apruzese, J. P.; Clark, R. W.

    2014-03-01

    Implosions of brass wire arrays on Zebra have produced L-shell radiation as well as inner-shell Kα and Kβ transitions. The L-shell radiation comes from ionization stages around the Ne-like charge state that is largely populated by a thermal electron energy distribution function, while the K-shell photons are a result of high-energy electrons ionizing or exciting an inner-shell (1s) electron from ionization stages around Ne-like. The K- and L-shell radiations were captured using two time-gated and two axially resolved time-integrated spectrometers. The electron beam was measured using a Faraday cup. A multi-zone non-local thermodynamic equilibrium pinch model with radiation transport is used to model the x-ray emission from experiments for the purpose of obtaining plasma conditions. These plasma conditions are used to discuss some properties of the electron beam generated by runaway electrons. A simple model for runaway electrons is examined to produce the Kα radiation, but it is found to be insufficient.

  3. Retrieving transient conformational molecular structure information from inner-shell photoionization of laser-aligned molecules

    DOE PAGESBeta

    Wang, Xu; Le, Anh -Thu; Yu, Chao; Lucchese, R. R.; Lin, C. D.

    2016-03-30

    We discuss a scheme to retrieve transient conformational molecular structure information using photoelectron angular distributions (PADs) that have averaged over partial alignments of isolated molecules. The photoelectron is pulled out from a localized inner-shell molecular orbital by an X-ray photon. We show that a transient change in the atomic positions from their equilibrium will lead to a sensitive change in the alignment-averaged PADs, which can be measured and used to retrieve the former. Exploiting the experimental convenience of changing the photon polarization direction, we show that it is advantageous to use PADs obtained from multiple photon polarization directions. Lastly, amore » simple single-scattering model is proposed and benchmarked to describe the photoionization process and to do the retrieval using a multiple-parameter fitting method.« less

  4. Retrieving transient conformational molecular structure information from inner-shell photoionization of laser-aligned molecules

    NASA Astrophysics Data System (ADS)

    Wang, Xu; Le, Anh-Thu; Yu, Chao; Lucchese, R. R.; Lin, C. D.

    2016-03-01

    We discuss a scheme to retrieve transient conformational molecular structure information using photoelectron angular distributions (PADs) that have averaged over partial alignments of isolated molecules. The photoelectron is pulled out from a localized inner-shell molecular orbital by an X-ray photon. We show that a transient change in the atomic positions from their equilibrium will lead to a sensitive change in the alignment-averaged PADs, which can be measured and used to retrieve the former. Exploiting the experimental convenience of changing the photon polarization direction, we show that it is advantageous to use PADs obtained from multiple photon polarization directions. A simple single-scattering model is proposed and benchmarked to describe the photoionization process and to do the retrieval using a multiple-parameter fitting method.

  5. Any Density Changes Near the Inner Shell of the Planetary Nebula NGC 6803?

    NASA Astrophysics Data System (ADS)

    Lee, Seong-Jae; Hyung, S.

    2013-06-01

    Most recent high dispersion spectral data, secured at Lick Observatory in 1995 and 2001, suggested a large density increase near the inner shell boundary of the elliptical ring planetary nebula NGC 6803, e.g., Ne = 8900 (10^3.95) --> 14,400 (10^4.16)/cm^3 in [Ar IV] (Lee and Hyung 2013). We further analyzed high dispersion spectroscopic data observed in 2012 February with the Bohyunsan fiber-fed echelle spectrograph (BOES) attached to the Bohyunsan Observatory 1.8m telescope. The BOES diagnostic line ratios indicate a large change between 2001 & 2012 observations; -0.23, +0.39, +0.13, -0.28 dex for [S II], [O II], [N II], and [Cl III], respectively. For example, the 2012 BOES [Ar IV] line ratio implies a decreasing density of N=11,700 (10^4.07)/cm^3. We discuss the changes of physical conditions and kinematics of NGC 6803.

  6. Retrieving transient conformational molecular structure information from inner-shell photoionization of laser-aligned molecules

    PubMed Central

    Wang, Xu; Le, Anh-Thu; Yu, Chao; Lucchese, R. R.; Lin, C. D.

    2016-01-01

    We discuss a scheme to retrieve transient conformational molecular structure information using photoelectron angular distributions (PADs) that have averaged over partial alignments of isolated molecules. The photoelectron is pulled out from a localized inner-shell molecular orbital by an X-ray photon. We show that a transient change in the atomic positions from their equilibrium will lead to a sensitive change in the alignment-averaged PADs, which can be measured and used to retrieve the former. Exploiting the experimental convenience of changing the photon polarization direction, we show that it is advantageous to use PADs obtained from multiple photon polarization directions. A simple single-scattering model is proposed and benchmarked to describe the photoionization process and to do the retrieval using a multiple-parameter fitting method. PMID:27025410

  7. Inner-Shell Photon-Ionized X-Ray Laser at 45(Angstrom)

    SciTech Connect

    Weber, F; Celliers, P; Moon, S; Snavely, R; Da Silva, L

    2002-02-01

    This report summarizes the major accomplishments of this three-year Laboratory Directed Research and Development (LDRD) Lab Wide (LW) project entitled, ''An Inner-Shell Photo-Ionized X-Ray Laser at 45 {angstrom}'', tracking code 99-LW-042. The most significant accomplishments of this project include the design of a suitable x-ray laser target, the invention of a measurement technique for the determination of rise times of x-ray pulses on the order of 50 femtoseconds, and a novel setup for generating a traveling wave with an ultrashort optical laser pulse. The pump probe technique for rise time measurement will allow us to detect ultrashort x-ray pulses, whose generation by means of a variety of 4th generation light sources is currently under planning elsewhere.

  8. Advances Toward Inner-Shell Photo-Ionization X-Ray Lasing at 45 (Angstrom)

    SciTech Connect

    Moon, S J; Weber, F A; Celliers, P M; Eder, D C

    2002-07-18

    The inner-shell photo-ionization (ISPI) scheme requires photon energies at least high enough to photo-ionize the K-shell. {approx}286 eV, in the case of carbon. As a consequence of the higher cross-section, the inner-shell are selectively knocked out, leaving a hole state 1s2s{sup 2}2p{sup 2} in the singly charged carbon ion. This generates a population inversion to the radiatively connected state 1s{sup 2}2s{sup 2}2p in C+, leading to gain on the 1s-2p transition at 45 {angstrom}. The resonant character of the lasing transition in the single ionization state intrinsically allows much higher quantum efficiency compared to other schemes. Competing processes that deplete the population inversion include auto-ionization, Auger decay, and in particular collisional ionization of the outer-shell electrons by electrons generated during photo-ionization. These competing processes rapidly quench the gain. Consequently, the pump method must be capable of populating the inversion at a rate faster than the competing processes. This can be achieved by an ultra-fast, high intensity laser that is able to generate an ultra-fast, bright x-ray source. With current advances in the development of high-power, ultra-short pulse lasers it is possible to realize fast x-ray sources based that can deliver powerful pulses of light in the multiple hundred terawatt regime and beyond. They will discuss in greater detail concept, target design and a series of x-ray spectroscopy investigations they have conducted in order to optimize the absorber/x-ray converter--filter package.

  9. Inner-shell photoionization and core-hole decay of Xe and XeF2

    NASA Astrophysics Data System (ADS)

    Southworth, Stephen; Picón, Antonio; Lehmann, C. Stefan; Wehlitz, Ralf; Cheng, Lan; Stanton, John F.

    2015-03-01

    Molecular effects on inner-shell photoionization and core-hole decay are explored by comparing cross sections and partial ion yields of Xe and XeF2 from Xe 3d and F 1s subshells in the 660-740 eV range. The Xe 3d- ɛf continuum shape resonances dominate the total cross sections, but prominent resonances appear in the XeF2 cross section due to excitation of Xe 3d and F 1s electrons to the lowest unoccupied molecular orbital (LUMO), a delocalized anti-bonding MO. Relativistic coupled-cluster calculations were performed to identify the subshell ionization thresholds, the LUMO resonances and their oscillator strengths. Comparison of the Xe charge state distributions of the atom and molecule show a general shift to lower charge states in XeF2. The measurements support a model of core-hole decay in which charge is redistributed from Xe to the F ligands and energetic F ions are produced by Coulombic fragmentation. Supported by the Chemical Sciences, Geosciences, and Biosciences Division, Office of Basic Energy Sciences, Office of Science, US Dept of Energy, Contract DE-AC02-06CH11357.

  10. Use of the Bethe equation for inner-shell ionization by electron impact

    NASA Astrophysics Data System (ADS)

    Powell, Cedric J.; Llovet, Xavier; Salvat, Francesc

    2016-05-01

    We analyzed calculated cross sections for K-, L-, and M-shell ionization by electron impact to determine the energy ranges over which these cross sections are consistent with the Bethe equation for inner-shell ionization. Our analysis was performed with K-shell ionization cross sections for 26 elements, with L-shell ionization cross sections for seven elements, L3-subshell ionization cross sections for Xe, and M-shell ionization cross sections for three elements. The validity (or otherwise) of the Bethe equation could be checked with Fano plots based on a linearized form of the Bethe equation. Our Fano plots, which display theoretical cross sections and available measured cross sections, reveal two linear regions as predicted by de Heer and Inokuti [in Electron Impact Ionization, edited by T. D. Märk and G. H. Dunn, (Springer-Verlag, Vienna, 1985), Chap. 7, pp. 232-276]. For each region, we made linear fits and determined values of the two element-specific Bethe parameters. We found systematic variations of these parameters with atomic number for both the low- and the high-energy linear regions of the Fano plots. We also determined the energy ranges over which the Bethe equation can be used.

  11. Use of the Bethe Equation for Inner-Shell Ionization by Electron Impact

    PubMed Central

    Powell, Cedric J.; Llovet, Xavier; Salvat, Francesc

    2016-01-01

    We analyzed calculated cross sections for K-, L-, and M-shell ionization by electron impact to determine the energy ranges over which these cross sections are consistent with the Bethe equation for inner-shell ionization. Our analysis was performed with K-shell ionization cross sections for 26 elements, with L-shell ionization cross sections for seven elements, with L3-subshell ionization cross sections for Xe, and with M-shell ionization cross sections for three elements. The validity or otherwise of the Bethe equation could be checked with Fano plots based on a linearized form of the Bethe equation. Our Fano plots, which display theoretical cross sections and available measured cross sections, reveal two linear regions as predicted by de Heer and Inokuti. For each region, we made linear fits and determined values of the two element-specific Bethe parameters. We found systematic variations of these parameters with atomic number for both the low- and the high-energy linear regions of the Fano plots. We also determined the energy ranges over which the Bethe equation can be used. PMID:27546903

  12. Progress on precision measurements of inner shell transitions in highly charged ions at an ECR ion source

    SciTech Connect

    Szabo, Csilla I.; Indelicato, Paul; LeBigot, Eric-Olivier; Vallette, Alexandre; Amaro, Pedro; Guerra, Mauro; Gumberidze, Alex

    2012-05-25

    Inner shell transitions of highly charged ions produced in the plasma of an Electron Cyclotron Resonance Ion Source (ECRIS) were observed the first time by a Double Crystal Spectrometer (DCS). The DCS is a well-used tool in precision x-ray spectroscopy due to its ability of precision wavelength measurement traced back to a relative angle measurement. Because of its requirement for a bright x-ray source the DCS has not been used before in direct measurements of highly charged ions (HCI). Our new precision measurement of inner shell transitions in HCI is not just going to provide new x-ray standards for quantum metrology but can also give information about the plasma in which the ions reside. Ionic temperatures and with that the electron density can be determined by thorough examination of line widths measured with great accuracy.

  13. The influence of inner-shell electron promotion on charge exchange processes in low energy ion scattering from surfaces

    NASA Astrophysics Data System (ADS)

    Ting Li; MacDonald, R. J.

    1997-11-01

    The influence of inner-shell electron promotion on charge exchange in low energy (1-7 keV) Ne + ions scattered from the Cu (1 0 0), Ni (1 0 0) and Fe (1 1 0) surfaces has been studied systematically. The yield of Ne + ion scattered from these surfaces has been measured as a function of incident ion energy under various scattering geometries. The relative Ne + ion fraction, which is proportional to the normalised ion yield divided by the differential scattering cross section, is studied and an empirical formula for relative ion fraction has been extracted. The formula combines the charge exchanges along the incoming trajectory, during the close encounter, and along the outgoing trajectory into one simple expression. It can be concluded that inner-shell electron excitations during close encounters contribute significantly to the charge exchange in the scattering systems studied in this work.

  14. Multilayer nanoparticles with a magnetite core and a polycation inner shell as pH-responsive carriers for drug delivery

    NASA Astrophysics Data System (ADS)

    Guo, Miao; Yan, Yu; Liu, Xiaozhou; Yan, Husheng; Liu, Keliang; Zhang, Hongkai; Cao, Youjia

    2010-03-01

    Nanocarriers with multilayer core-shell architecture were prepared by coating a superparamagnetic Fe3O4 core with a triblock copolymer. The first block of the copolymer formed the biocompatible outermost shell of the nanocarrier. The second block that contains amino groups and hydrophobic moiety formed the inner shell. The third block bound tightly onto the Fe3O4 core. Chlorambucil (an anticancer agent) and indomethacin (an anti-inflammation agent), each containing a carboxyl group and a hydrophobic moiety, were loaded into the amino-group-containing inner shell by a combination of ionic and hydrophobic interactions. The release rate of the loaded drugs was slow at pH 7.4, mimicking the blood environment, whereas the release rate increased significantly at acidic pH, mimicking the intracellular conditions in the endosome/lysosome. This can be attributed to the disruption of the ionic bond caused by protonation of the carboxylate anion of the drugs and the swelling of the inner shell caused by protonation of the amino groups.

  15. Influence of the Inner-Shell Architecture on Quantum Yield and Blinking Dynamics in Core/Multishell Quantum Dots.

    PubMed

    Bajwa, Pooja; Gao, Feng; Nguyen, Anh; Omogo, Benard; Heyes, Colin D

    2016-03-01

    Choosing the composition of a shell for QDs is not trivial, as both the band-edge energy offset and interfacial lattice mismatch influence the final optical properties. One way to balance these competing effects is by forming multishells and/or gradient-alloy shells. However, this introduces multiple interfaces, and their relative effects on quantum yield and blinking are not yet fully understood. Here, we undertake a systematic, comparative study of the addition of inner shells of a single component versus gradient-alloy shells of cadmium/zinc chalogenides onto CdSe cores, and then capping with a thin ZnS outer shell to form various core/multishell configurations. We show that architecture of the inner shell between the CdSe core and the outer ZnS shell significantly influences both the quantum yield and blinking dynamics, but that these effects are not correlated-a high ensemble quantum yield doesn't necessarily equate to reduced blinking. Two mathematical models have been proposed to describe the blinking dynamics-the more common power-law model and a more recent multiexponential model. By binning the same data with 1 and 20 ms resolution, we show that the on times can be better described by the multiexponential model, whereas the off times can be better described by the power-law model. We discuss physical mechanisms that might explain this behavior and how it can be affected by the inner-shell architecture. PMID:26693950

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

    SciTech Connect

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

    2005-12-13

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

  17. Decay pathways after Xe 3d inner shell ionization using a multi-electron coincidence technique

    NASA Astrophysics Data System (ADS)

    Suzuki, I. H.; Hikosaka, Y.; Shigemasa, E.; Lablanquie, P.; Penent, F.; Soejima, K.; Nakano, M.; Kouchi, N.; Ito, K.

    2011-04-01

    Cascade Auger electron emission following Xe 3d photoionization has been investigated using a multi-electron coincidence technique, which utilizes an electron spectrometer of magnetic bottle type. It has been found that the Xe2+ states of the 4p-14d-1 configuration, formed by the Auger decay of the Xe+ 3d3/2, 5/2-1 states, dominantly turn into triply charged states of the 4d-25p-1/4d-25s-1 configurations. The Xe2+ 4s-14d-1 states, formed by the 3d Auger decay, yield the 4p-14d-15p-1 states as well as the 4d-3 states. From the coincidence spectrum among three Auger electrons, it is suggested that the Xe2+ 4p-14d-1 states give rise to the following cascade processes: 4p-14d-1 → 4d-25p-1 → 4d-15p-3.

  18. Electron impact action spectroscopy of mass/charge selected macromolecular ions: Inner-shell excitation of ubiquitin protein

    DOE PAGESBeta

    Rankovic, Milos Lj.; Giuliani, Alexandre; Milosavljevic, Aleksandar R.

    2016-02-11

    In this study, we have performed inner-shell electron impact action spectroscopy of mass and charge selected macromolecular ions. For this purpose, we have coupled a focusing electron gun with a linear quadrupole ion trap mass spectrometer. This experiment represents a proof of principle that an energy-tunable electron beam can be used in combination with radio frequency traps as an activation method in tandem mass spectrometry (MS2) and allows performing action spectroscopy. Electron impact MS2 spectra of multiply protonated ubiquitin protein ion have been recorded at incident electron energies around the carbon 1s excitation. Both MS2 and single ionization energy dependencemore » spectra are compared with literature data obtained using the soft X-ray activation conditions.« less

  19. Exciton Lines in Luminescence Spectra of NixZn1-xO under Inner Shell Excitation

    NASA Astrophysics Data System (ADS)

    Churmanov, V. N.; Sokolov, V. I.; Gruzdev, N. B.; Ivanov, V. Yu.; Pustovarov, V. A.

    The paper presents the results of the study of two narrow luminescence lines I1 and I2 at the energies of 3.339 and 3.393 eV respectively in NiO and solid state solution Ni0.6Zn0.4O. The luminescence spectroscopy with a sub-nanosecond time resolution upon selective photoexcitation in the energy range of absorption of the inner shells Zn M- and Ni L2,3- edges of Zn- and Ni- ions was used to promote proposed earlier mechanism of origin of luminescence lines I1 and I2. Photoluminescence decay kinetics of NiO and solid state solution Ni0.6Zn0.4O under soft x-ray excitation are discussed. The doublet of I1 and I2 lines is believed to arise due to the radiative annihilation of p-d excitons.

  20. Electron impact action spectroscopy of mass/charge selected macromolecular ions: Inner-shell excitation of ubiquitin protein

    NASA Astrophysics Data System (ADS)

    Ranković, Miloš Lj.; Giuliani, Alexandre; Milosavljević, Aleksandar R.

    2016-02-01

    We have performed inner-shell electron impact action spectroscopy of mass and charge selected macromolecular ions. For this purpose, we have coupled a focusing electron gun with a linear quadrupole ion trap mass spectrometer. This experiment represents a proof of principle that an energy-tunable electron beam can be used in combination with radio frequency traps as an activation method in tandem mass spectrometry (MS2) and allows performing action spectroscopy. Electron impact MS2 spectra of multiply protonated ubiquitin protein ion have been recorded at incident electron energies around the carbon 1 s excitation. Both MS2 and single ionization energy dependence spectra are compared with literature data obtained using the soft X-ray activation conditions.

  1. Compton scattering cross section for inner-shell electrons in the relativistic impulse approximation

    NASA Astrophysics Data System (ADS)

    Stutz, G. E.

    2014-01-01

    Total Compton scattering cross sections and inelastic scattering factors for bound electron states of several elements have been evaluated in the framework of the relativistic impulse approximation (RIA). The accuracy of different approximate expressions for the singly differential cross section within the RIA is discussed. Accurate evaluations of bound state scattering factors require the use of the full RIA expression. Compton scattering from K-shell electrons dominates over the photoelectric absorption at higher energies. Energy values at which the Compton interaction become the main process of creation of K-shell vacancies are assessed. The role of binding effects in Compton processes at lower energies are clearly evidenced by the computed total cross sections. Calculated K-shell ionization total cross sections, defined as the sum of the photoelectric absorption and the Compton scattering cross sections, are in good agreement with available experimental data. The total Compton cross section for the 2s atomic orbital exhibits a shoulder-like structure, which can be traced back to the node structure of the 2s wave function.

  2. Lifetime of inner-shell hole states of Ar (2p) and Kr (3d) using equation-of-motion coupled cluster method

    SciTech Connect

    Ghosh, Aryya; Vaval, Nayana; Pal, Sourav

    2015-07-14

    Auger decay is an efficient ultrafast relaxation process of core-shell or inner-shell excited atom or molecule. Generally, it occurs in femto-second or even atto-second time domain. Direct measurement of lifetimes of Auger process of single ionized and double ionized inner-shell state of an atom or molecule is an extremely difficult task. In this paper, we have applied the highly correlated complex absorbing potential-equation-of-motion coupled cluster (CAP-EOMCC) approach which is a combination of CAP and EOMCC approach to calculate the lifetime of the states arising from 2p inner-shell ionization of an Ar atom and 3d inner-shell ionization of Kr atom. We have also calculated the lifetime of Ar{sup 2+}(2p{sup −1}3p{sup −1}) {sup 1}D, Ar{sup 2+}(2p{sup −1}3p{sup −1}) {sup 1}S, and Ar{sup 2+}(2p{sup −1}3s{sup −1}) {sup 1}P double ionized states. The predicted results are compared with the other theoretical results as well as experimental results available in the literature.

  3. Inner-Shell Absorption Lines of Fe 6-Fe 16: a Many-Body Perturbation Theory Approach

    SciTech Connect

    Gu, Ming F.; Holczer, Tomer; Behar, Ehud; Kahn, Steven M.; /KIPAC, Menlo Park

    2006-01-17

    We provide improved atomic calculation of wavelengths, oscillator strengths, and autoionization rates relevant to the 2 -> 3 inner-shell transitions of Fe VI-XVI, the so-called Fe M-shell unresolved transition array (UTA). A second order many-body perturbation theory is employed to obtain accurate transition wavelengths, which are systematically larger than previous theoretical results by 15-45 mA. For a few transitions of Fe XVI and Fe XV where laboratory measurements exist, our new wavelengths are accurate to within a few mA. Using these new calculations, the apparent discrepancy in the velocities between the Fe M-shell UTA and other highly ionized absorption lines in the outflow of NGC 3783 disappears. The oscillator strengths in our new calculation agree well with the previous theoretical data, while the new autoionization rates are significantly larger, especially for lower charge states. We attribute this discrepancy to the missing autoionization channels in the previous calculation. The increased autoionization rates may slightly affect the column density analysis of the Fe M-shell UTA for sources with high column density and very low turbulent broadening. The complete set of atomic data is provided as an electronic table.

  4. Stability of Helium Clusters during Displacement Cascades

    SciTech Connect

    Yang, Li; Zu, Xiaotao T.; Xiao, H. Y.; Gao, Fei; Heinisch, Howard L.; Kurtz, Richard J.; Wang, Zhiguo; Liu, K. Z.

    2007-02-01

    The interaction of displacement cascades with helium-vacancy clusters is investigated using molecular dynamics simulations. The He-vacancy clusters initially consist of 20 vacancies with a Helium-to-vacancy ratio ranging from 0.2 to 3. The primary knock-on atom (PKA) energy, Ep, varies from 2 keV to 10 keV, and the PKA direction is chosen such that a displacement cascade is able to directly interact with a helium-vacancy cluster. The simulation results show that the effect of displacement cascades on a helium-vacancy cluster strongly depends on both the helium-to-vacancy ratio and the PKA energy. For the same PKA energy, the size of helium-vacancy clusters increases with the He/V ratio, but for the same ratio, the cluster size changes more significantly with increasing PKA energy. It has been observed that the He-vacancy clusters can be dissolved when the He/V ratio less than 1, but they are able to re-nucleate during the thermal spike phase, forming small He-V nuclei. When the He/V ratio is larger than 1, the He-V clusters can absorb a number of vacancies produced by displacement cascades, forming larger He-V clusters. These results are discussed in terms of PKA energy, helium-to-vacancy ratio, number of vacancies produced by cascades, and mobility of helium atoms.

  5. High resolution X-ray spectra of solar flares. V - Interpretation of inner-shell transitions in Fe XX-Fe XXIII

    NASA Technical Reports Server (NTRS)

    Doschek, G. A.; Feldman, U.; Cowan, R. D.

    1981-01-01

    The paper examines high-resolution solar flare iron line spectra recorded between 1.82 and 1.97 A by a spectrometer flown by the Naval Research Laboratory on an Air Force spacecraft launched on 1979 February 24. The emission line spectrum is due to inner-shell transitions in the ions Fe XX-Fe XXV. Using theoretical spectra and calculations of line intensities obtained by methods discussed by Merts, Cowan, and Magee (1976), electron temperatures as a function of time for two large class X flares are derived. These temperatures are deduced from intensities of lines of Fe XXII, Fe XXIII, and Fe XXIV. The determination of the differential emission measure between about 12-million and 20-million K using these temperatures is considered. The possibility of determining electron densities in flare and tokamak plasmas using the inner-shell spectra of Fe XXI and Fe XX is discussed.

  6. Charge and Nuclear Dynamics Induced by Deep Inner-Shell Multiphoton Ionization of CH3I Molecules by Intense X-ray Free-Electron Laser Pulses.

    PubMed

    Motomura, Koji; Kukk, Edwin; Fukuzawa, Hironobu; Wada, Shin-ichi; Nagaya, Kiyonobu; Ohmura, Satoshi; Mondal, Subhendu; Tachibana, Tetsuya; Ito, Yuta; Koga, Ryosuke; Sakai, Tsukasa; Matsunami, Kenji; Rudenko, Artem; Nicolas, Christophe; Liu, Xiao-Jing; Miron, Catalin; Zhang, Yizhu; Jiang, Yuhai; Chen, Jianhui; Anand, Mailam; Kim, Dong Eon; Tono, Kensuke; Yabashi, Makina; Yao, Makoto; Ueda, Kiyoshi

    2015-08-01

    In recent years, free-electron lasers operating in the true X-ray regime have opened up access to the femtosecond-scale dynamics induced by deep inner-shell ionization. We have investigated charge creation and transfer dynamics in the context of molecular Coulomb explosion of a single molecule, exposed to sequential deep inner-shell ionization within an ultrashort (10 fs) X-ray pulse. The target molecule was CH3I, methane sensitized to X-rays by halogenization with a heavy element, iodine. Time-of-flight ion spectroscopy and coincident ion analysis was employed to investigate, via the properties of the atomic fragments, single-molecule charge states of up to +22. Experimental findings have been compared with a parametric model of simultaneous Coulomb explosion and charge transfer in the molecule. The study demonstrates that including realistic charge dynamics is imperative when molecular Coulomb explosion experiments using short-pulse facilities are performed. PMID:26267186

  7. Observation of Doubly-Excited States in CALCIUM(17+) and Inner Shell-Photoexcitations in Argon, Potassium and Rubidium

    NASA Astrophysics Data System (ADS)

    Suleiman, Jamal A.

    High resolution X-ray spectroscopy is used to study (A) simultaneous electron-excitation and electron capture in the collision of calcium ions with argon atoms; these studies are important because of the close relationship to dielectronic recombination (DR) which plays an important role in energy-transfer processes in astrophysical and laboratory plasmas; (B) single and double inner-shell photoexcitations of potassium, rubidium and argon; these measurements can lead to very precise tests of electron correlation effects, such as Breit interaction, and QED effects in many electron systems. In the first case, Ca^{18+ } and Ca^{19+} ions from the ATLAS accelerator at Argonne National Laboratory, at energies near 100 MeV, were directed to an argon gas target. X-ray spectra near 3.9 KeV were collected using a high-resolution X-ray spectrometer. We have resolved transitions from doubly-excited 1s2lnl^ ' states to singly-excited 1s ^2nl^' states in lithium -like calcium. Comparison of the experimental wavelengths and intensities with relativistic Hartree-Fock calculations shows very good agreement. In the second case, we have obtained high spectral resolution absorption spectra of potassium near K-, KN -, and KM-edges, rubidium near K- and KO edges, and argon near K-, KM-, and KL-edges. The measurements were made at the X-24A and X-23A2 beamlines at the National Synchrotron Light Source at Brookhaven National Laboratory. Preliminary identifications of most the peaks are made using Dirac Hartree-Fock calculations. Comparisons of the experimental wavelengths and intensities with relativistic Hartree-Fock calculations show very good agreement.

  8. Measurement of wavelengths and lamb shifts for inner-shell transitions in Fe XVIII-XXIV. [from solar flare X-ray spectra

    NASA Technical Reports Server (NTRS)

    Seely, J. F.; Feldman, U.; Safronova, U. I.

    1986-01-01

    The wavelengths of inner-shell 1s-2p transitions in the ions Fe XVIII-XXIV have been measured in solar flare spectra recorded by the Naval Research Laboratory crystal spectrometer (SOLFLEX) on the Air Force P78-1 spacecraft. The measurements are compared with previous measurements and with recently calculated wavelengths. It is found that the measured wavelengths are systematically larger than the wavelengths calculated using the Z-expansion method by up to 0.65 mA. For the more highly charged ions, these differences can be attributed to the QED contributions to the transition energies that are not included in the Z-expansion calculations.

  9. MEASUREMENT AND MODELING OF Na-LIKE Fe XVI INNER-SHELL SATELLITES BETWEEN 14.5 A AND 18 A

    SciTech Connect

    Graf, A.; Beiersdorfer, P.; Brown, G. V.; Gu, M. F.

    2009-04-20

    We have used the University of California Lawrence Livermore National Laboratory's EBIT-I electron beam ion trap to perform measurements of the wavelengths and relative intensities of the X-ray lines from inner-shell satellite transitions in sodium-like Fe XVI. The measurements were carried out with high-resolution crystal and grating spectrometers and covered the 14.5-18 A wavelength band. In contrast to some predicted line strengths and positions found in the literature, our results show that the strongest relatively unblended inner-shell satellites of Fe XVI are located near 15.2 A. This is near the location of the 3d{yields} 2p intercombination line in Fe XVII. Calculations using the Flexible Atomic Code (FAC) are presented. The average deviation between the EBIT-I measurements and the FAC calculations for the wavelength positions and line ratios are 22 mA and a factor of 2.3, respectively, where the average is taken over the ten features included in this work.

  10. Ion charge-resolved branching in decay of inner shell holes in Xe up to 1200 eV

    NASA Astrophysics Data System (ADS)

    Eland, J. H. D.; Slater, C.; Zagorodskikh, S.; Singh, R.; Andersson, J.; Hult-Roos, A.; Lauer, A.; Squibb, R. J.; Feifel, R.

    2015-10-01

    Using a new multi-electron multi-ion coincidence apparatus and soft x-ray synchrotron radiation we have determined branching ratios to final Xe n+ states with 2 < n < 9 from the 4d-1, 4p-1, 4s-1, 3d-1 and 3p-1 Xe+ hole states. The coincident electron spectra give information on the Auger cascade pathways. We show that by judicious choice of coincident electrons, almost pure single charge states of the final ions can be selected.

  11. Modeling energy dependence of the inner-shell x-ray emission produced by femtosecond-pulse laser irradiation of xenon clusters

    SciTech Connect

    Colgan, James P

    2008-01-01

    We employ the Los Alamos suite of atomic physics codes to model the inner-shell x-ray emission spectrum of xenon and compare results with those obtained via high-resolution x-ray spectroscopy of xenon clusters irradiated by 30 fs Ti:Sa laser pulses. We find that the commonly employed configuration average approximation breaks down and significant spin-orbit splitting necessitates a detailed level accounting. Additionally, we reproduce an interesting spectral trend for a series of experimental spectra taken with varying pulse energy for fixed pulse duration. To simulate the experimental measurements at increasing beam energies, we find that spectral modeling requires an increased hot electron fraction, but decreased atomic density and bulk electron temperature. We believe these latter conditions to be a result of partial cluster destruction due to the increased energy in the laser prepulse.

  12. Laboratory Measurement and Theoretical Modeling of K-shell X-ray Lines from Inner-shell Excited and Ionized Ions of Oxygen

    SciTech Connect

    Gu, M; Schmidt, M; Beiersdorfer, P; Chen, H; Thorn, D B; Tr?bert, E; Behar, E; Kahn, S M

    2005-02-05

    We present high resolution laboratory spectra of K-shell X-ray lines from inner-shell excited and ionized ions of oxygen, obtained with a reflection grating spectrometer on the electron beam ion trap (EBIT-I) at the Lawrence Livermore National Laboratory. Only with a multi-ion model including all major atomic collisional and radiative processes, are we able to identify the observed K-shell transitions of oxygen ions from O III to O VI. The wavelengths and associated errors for some of the strongest transitions are given, taking into account both the experimental and modeling uncertainties. The present data should be useful in identifying the absorption features present in astrophysical sources, such as active galactic nuclei and X-ray binaries. They are also useful in providing benchmarks for the testing of theoretical atomic structure calculations.

  13. Solid-state effects and atomiclike effects on shallow inner-shell-electron energy-loss spectra of a cation p or d hole in sulfides

    NASA Astrophysics Data System (ADS)

    Ohno, Youichi

    1994-03-01

    Inner-shell-electron energy-loss spectroscopy studies have been done for the systems in which a shallow p or d core hole exists in the final state of a cation. Optically allowed and forbidden transitions have been distinguished from spectral variations due to the breakdown of dipole selection rules. The Ti and V M2,3 spectra and the Zr, Nb, and Mo M4,5 spectra in layered transition-metal disulfides and related misfit-layer compounds are well explained in terms of the energy-band structures. The overall structures of the Pb and Bi O4,5 spectra are understood within the atomic model containing j-j coupling. The Sn N4,5 spectra in SnS and SnS2 are intermediate between them. A reasonable explanation is given by both the atomic model and the band-structure model.

  14. Mango core inner shell membrane template-directed synthesis of porous ZnO films and their application for enzymatic glucose biosensor

    NASA Astrophysics Data System (ADS)

    Zhou, Yu; Wang, Lei; Ye, Zhizhen; Zhao, Minggang; Cai, Hui; Huang, Jingyun

    2013-11-01

    Micro/nano-porous ZnO films were synthesized through a simple biotemplate-directed method using mango core inner shell membranes as templates. The achieved ZnO films with wrinkles on the surface are combined of large holes and small pores in the bulk. High specific surface area, numerous microspaces, and small channels for fluid circulation provided by this unique structure along with the good biocompatibility and electron communication features of ZnO material make the product an ideal platform for the immobilization of enzymes The fabricated glucose biosensor based on the porous ZnO films exhibits good selective detection ability of analyte with good stability, high sensitivity of 50.58 μA cm-2 mM-1 and a wide linear range of 0.2-5.6 mM along with a low detection limit of 10 μM.

  15. Stochastic annealing simulation of cascades in metals

    SciTech Connect

    Heinisch, H.L.

    1996-04-01

    The stochastic annealing simulation code ALSOME is used to investigate quantitatively the differential production of mobile vacancy and SIA defects as a function of temperature for isolated 25 KeV cascades in copper generated by MD simulations. The ALSOME code and cascade annealing simulations are described. The annealing simulations indicate that the above Stage V, where the cascade vacancy clusters are unstable,m nearly 80% of the post-quench vacancies escape the cascade volume, while about half of the post-quench SIAs remain in clusters. The results are sensitive to the relative fractions of SIAs that occur in small, highly mobile clusters and large stable clusters, respectively, which may be dependent on the cascade energy.

  16. Improved atomic data for electron-transport predictions by the codes TIGER and TIGERP. I. Inner-shell ionization by electron collision

    SciTech Connect

    Peek, J.M.; Halbleib, J.A.

    1983-01-01

    The inner-shell ionization data for electron-target collisions now in use in the TIGER and TIGERP electron-transport codes are extracted and compared with other data for these processes. The TIGER cross sections for K-shell ionization by electron collisions are found to be seriously in error for large-Z targets and incident electron energies greater than 1 MeV. A series of TIGER and TIGERP runs were carried out with and without improved K-shell electron ionization cross section data replacing that now in use. The relative importance of electron-impact and photon ionization of the various subshells was also extracted from these runs. In general, photon ionization dominated in the examples studied so the sensitivity of many predicted properties to errors in the electron-impact subshell ionization data was not large. However, some differences were found and, as all possible applications were not covered in this study, it is recommended that these electron-impact data now in TIGER and TIGERP be replaced. Cross section data for the processes under study are reviewed and those that are most suitable for this application are identified. 19 references, 9 figures, 2 tables.

  17. Primary-energy dependence of the momentum transfer in reflection inner-shell-electron energy-loss spectra of layered transition-metal dichalcogenides

    NASA Astrophysics Data System (ADS)

    Ohno, Youichi

    1987-11-01

    Sulfur L2.3 and titanium L2.3 and M2.3 inner-shell-electron energy-loss spectra in 1T-TiS2, 1T-TiSe2, 2H-TaS2, and 2H-MoS2 have been measured at various primary energies in the reflection mode. A remarkable primary-energy dependence is found. As the primary energy decreases, the first peak that is assigned to the unoccupied t2g band for the 1T compounds & band for 2H-TaS2 increases in intensity relative to the second peak. The peak positions are almost unchanged. They are in agreement with those of band-structure calculations and x-ray absorption spectra. The primary-energy dependence has been discussed mainly in terms of the breakdown of dipole selection rules due to momentum transfer involved in the inelastic scattering process and anisotropy in electronic structures.

  18. Atomic Data for the K-Vacancy States of Fe XXIV

    NASA Technical Reports Server (NTRS)

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

    2002-01-01

    As part of a project to compute improved atomic data for the spectral modeling of iron K lines, we report extensive calculations and comparisons of atomic data for K-vacancy states in Fe XXIV. The data sets include: (i) energy levels, line wavelengths, radiative and Auger rates; (ii) inner-shell electron impact excitation rates and (iii) fine structure inner-shell photoionization cross sections. The calculations of energy levels and radiative and Auger rates have involved a detailed study of orbital representations, core relaxation, configuration interaction, relativistic corrections, cancellation effects and semi-empirical corrections. It is shown that a formal treatment of the Breit interaction is essential to render the important magnetic correlations that take part in the decay pathways of this ion. As a result, the accuracy of the present A-values is firmly ranked at better than 10% while that of the Auger rates at only 15%. The calculations of collisional excitation and photoionization cross sections take into account the effects of radiation and spectator Auger dampings. In the former, these effects cause significant attenuation of resonances leading to a good agreement with a simpler method where resonances are excluded. In the latter, resonances converging to the K threshold display symmetric profiles of constant width that causes edge smearing.

  19. Atomic Data for the K-vacancy States of Fe XXIV

    NASA Technical Reports Server (NTRS)

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

    2003-01-01

    As part of a project to compute improved atomic data for the spectral modeling of iron K lines, we report extensive calculations and comparisons of atomic data for K-vacancy states in Fe XXIV. The data sets include: (i) energy levels, line wavelengths, radiative and Auger rates; (ii) inner-shell electron impact excitation rates and (iii) fine structure inner-shell photoionization cross sections. The calculations of energy levels and radiative and Auger rates have involved a detailed study of orbital representations, core relaxation, configuration interaction, relativistic corrections, cancellation effects and semi-empirical corrections. It is shown that a formal treatment of the Breit interaction is essential to render the important magnetic correlations that take part in the decay pathways of this ion. As a result, the accuracy of the present A-values is firmly ranked at better than 10% while that of the Auger rates at only 15%. The calculations of collisional excitation and photoionization cross sections take into account the effects of radiation and spectator Auger dampings. In the former, these effects cause significant attenuation of resonances leading to a good agreement with a simpler method where resonances are excluded. In the latter, resonances converging to the K threshold display symmetric profiles of constant width that causes edge smearing.

  20. Atomic inner-shell laser at 1.5-ångström wavelength pumped by an X-ray free-electron laser.

    PubMed

    Yoneda, Hitoki; Inubushi, Yuichi; Nagamine, Kazunori; Michine, Yurina; Ohashi, Haruhiko; Yumoto, Hirokatsu; Yamauchi, Kazuto; Mimura, Hidekazu; Kitamura, Hikaru; Katayama, Tetsuo; Ishikawa, Tetsuya; Yabashi, Makina

    2015-08-27

    Since the invention of the first lasers in the visible-light region, research has aimed to produce short-wavelength lasers that generate coherent X-rays; the shorter the wavelength, the better the imaging resolution of the laser and the shorter the pulse duration, leading to better temporal resolution in probe measurements. Recently, free-electron lasers based on self-amplified spontaneous emission have made it possible to generate a hard-X-ray laser (that is, the photon energy is of the order of ten kiloelectronvolts) in an ångström-wavelength regime, enabling advances in fields from ultrafast X-ray spectrosopy to X-ray quantum optics. An atomic laser based on neon atoms and pumped by a soft-X-ray (that is, a photon energy of less than one kiloelectronvolt) free-electron laser has been achieved at a wavelength of 14 nanometres. Here, we use a copper target and report a hard-X-ray inner-shell atomic laser operating at a wavelength of 1.5 ångströms. X-ray free-electron laser pulses with an intensity of about 10(19) watts per square centimetre tuned to the copper K-absorption edge produced sufficient population inversion to generate strong amplified spontaneous emission on the copper Kα lines. Furthermore, we operated the X-ray free-electron laser source in a two-colour mode, with one colour tuned for pumping and the other for the seed (starting) light for the laser. PMID:26310765

  1. A comparative study of the inner-shell and the ionic line radiation from ultra-short laser-produced magnesium plasma

    NASA Astrophysics Data System (ADS)

    Arora, Vipul; Anant Naik, Prasad; Chakravarty, Uday; Singhal, Himanshu; Sanyasi Rao, Bobbili; Chakera, Juzer Ali; Prasad Singh, Manoranjan; Dass Gupta, Parshottam

    2014-11-01

    The inner-shell radiation (K-α) and the ionic line radiation (He-α) from magnesium plasma, generated by the interaction of a 3 TW, 45 fs laser, have been studied simultaneously using an x-ray crystal spectrograph. The effect of the variation of the laser intensity and its offset from the best focus position has been studied. He-α and K-α x-ray yields are found to scale with the laser intensity as IL1.5 and IL0.6 respectively. The K-α x-ray conversion shows a maximum at the best focus and reduces symmetrically on either side of the best focus position, whereas the He-α conversion peaks when the target is placed before the focused laser beam. The angular distribution for the He-α as well as the K-α emissions shows a maximum in the forward direction and the intensity reduces with the increase in angle θ with respect to the target normal as cosα θ. The value of α is 0.7 and 3 for He-α and K-α respectively. The experimentally observed variation of the He-α line conversion for different laser parameters has been explained by considering the change in preformed plasma conditions, and the variation in the K-α emission has been explained by considering hot electron generation and their propagation in the bulk solid target. The plasma conditions prevalent during the emission of the x-ray spectrum were identified by comparing the experimental spectra with the synthetic spectra generated using the spectroscopic analysis code PrismSPECT. The results will be useful in designing laser-produced plasma x-ray line radiation sources of photon energy in the range of 1-2 keV, for its potential use as a probe pulse in x-ray backlighting, or time-resolved x-ray diffraction studies.

  2. Atomic inner-shell laser at 1.5-ångström wavelength pumped by an X-ray free-electron laser

    NASA Astrophysics Data System (ADS)

    Yoneda, Hitoki; Inubushi, Yuichi; Nagamine, Kazunori; Michine, Yurina; Ohashi, Haruhiko; Yumoto, Hirokatsu; Yamauchi, Kazuto; Mimura, Hidekazu; Kitamura, Hikaru; Katayama, Tetsuo; Ishikawa, Tetsuya; Yabashi, Makina

    2015-08-01

    Since the invention of the first lasers in the visible-light region, research has aimed to produce short-wavelength lasers that generate coherent X-rays; the shorter the wavelength, the better the imaging resolution of the laser and the shorter the pulse duration, leading to better temporal resolution in probe measurements. Recently, free-electron lasers based on self-amplified spontaneous emission have made it possible to generate a hard-X-ray laser (that is, the photon energy is of the order of ten kiloelectronvolts) in an ångström-wavelength regime, enabling advances in fields from ultrafast X-ray spectrosopy to X-ray quantum optics. An atomic laser based on neon atoms and pumped by a soft-X-ray (that is, a photon energy of less than one kiloelectronvolt) free-electron laser has been achieved at a wavelength of 14 nanometres. Here, we use a copper target and report a hard-X-ray inner-shell atomic laser operating at a wavelength of 1.5 ångströms. X-ray free-electron laser pulses with an intensity of about 1019 watts per square centimetre tuned to the copper K-absorption edge produced sufficient population inversion to generate strong amplified spontaneous emission on the copper Kα lines. Furthermore, we operated the X-ray free-electron laser source in a two-colour mode, with one colour tuned for pumping and the other for the seed (starting) light for the laser.

  3. Inner-shell capture and ionization in collisions of H/sup +/, He/sup 2 +/, and Li/sup 3 +/ projectiles with neon and carbon

    SciTech Connect

    Ford, A.L.; Reading, J.F.; Becker, R.L.

    1981-02-01

    Theoretical methods used previously for H/sup +/, He/sup 2 +/, and C/sup 6 +/ collisions with neutral argon atoms have been applied to collisions of H/sup +/, He/sup 2 +/, and Li/sup 3 +/ projectiles with neon, and to collisions of H/sup +/ with carbon targets. The energy range covered by the calculations is 0.4 to 4.0 MeV/amu for the neon target, and 0.2 to 2.0 MeV/amu for carbon. We calculate single-electron amplitudes for target K-shell ionization and target K- and L-shell, to projectile K-shell, charge transfer. These single-electron amplitudes are used, in an independent-particle model that allows for multielectron processes, to compute K-shell vacancy production cross sections sigma/sup IPM//sub V/K, and cross sections sigma/sup IPM//sub C/,VK for producing a charge-transfer state of the projectile in the coincidence with a K-shell vacancy in the target. These cross sections are in reasonable agreement with the recent experiments of Rodbro et al. at Aarhus. In particular, the calculated, as well as the experimental, sigma/sub C/,VK scale with projectile nuclear charge Z/sub p/ less strongly than the Z/sup 5//sub p/ of the Oppenheimer-Brinkman-Kramers (OBK) approximation. For He/sup 2 +/ and Li/sup 3 +/ projectiles at collision energies below where experimental data are available, our calculated multielectron corrections to the single-electron approximation for sigma/sub C/,VK are large.

  4. Contributions to the generalized oscillator strength for the inner-shell C 1s{yields}3s{sigma}{sub g} transition in CO{sub 2} from the vibronic coupling mechanism

    SciTech Connect

    Rocha, Alexandre B.; Bielschowsky, Carlos E.

    2002-11-01

    An approach is proposed to account for the general effect of the nuclei motion in the intensity of electronic transitions caused by fast electron collision with molecular targets, following a similar procedure that has recently been used by our group to determine the optical oscillator strength of symmetry-forbidden transition, and which consists of expanding the (squared) transition moment along the normal coordinates of vibration. It is shown that the profile of total generalized oscillator strength as a function of the squared transferred moment can be significantly changed by the inclusion of terms that depend explicitly on the normal coordinates of vibration. The generalized oscillator strength for the inner-shell C 1s{yields}3s{sigma}{sub g} transition in CO{sub 2} is calculated within this approach and compared with experimental results.

  5. Vacancies in epitaxial graphene

    SciTech Connect

    Davydov, S. Yu.

    2015-08-15

    The coherent-potential method is used to consider the problem of the influence of a finite concentration of randomly arranged vacancies on the density of states of epitaxial graphene. To describe the density of states of the substrate, simple models (the Anderson model, Haldane-Anderson model, and parabolic model) are used. The electronic spectrum of free single-sheet graphene is considered in the low-energy approximation. Charge transfer in the graphene-substrate system is discussed. It is shown that, in all cases, the density of states of epitaxial graphene decreases proportionally to the vacancy concentration. At the same time, the average charge transferred from graphene to the substrate increases.

  6. Formation and Growth of Stacking Fault Tetrahedra in Ni via Vacancy Aggregation Mechanism

    SciTech Connect

    Aidhy, Dilpuneet S.; Lu, Chenyang; Jin, Ke; Bei, Hongbin; Zhang, Yanwen; Wang, Lumin; Weber, William J.

    2015-12-29

    Using molecular dynamics simulations, the formation and growth of stacking fault tetrahedra (SFT) are captured by vacancy cluster diffusion and aggregation mechanisms in Ni. The vacancytetrahedron acts as a nucleation point for SFT formation. Simulations show that perfect SFT can grow to the next size perfect SFT via a vacancy aggregation mechanism. The stopping and range of ions in matter (SRIM) calculations and transmission electron microscopy (TEM) observations reveal that SFT can form farther away from the initial cascade-event locations, indicating the operation of diffusion-based vacancy-aggregation mechanism.

  7. HELIUM EFFECTS ON DISPLACEMENT CASCADE IN TUNGSTEN

    SciTech Connect

    Setyawan, Wahyu; Nandipati, Giridhar; Roche, Kenneth J.; Heinisch, Howard L.; Kurtz, Richard J.; Wirth, Brian D.

    2013-09-30

    Molecular dynamics (MD) simulations were performed to investigate He effects on displacement cascades in W. Helium content, proportion of interstitial and substitutional He and temperature were varied to reveal the various effects. The effect of interstitial He on the number of self-interstitial atoms (SIAs) produced during cascade damage appears to be insignificant. However, interstitial He tends to fill a vacancy (V). Nevertheless, this process is less favorable than SIA-V recombination particularly when excess SIAs are present before a cascade. The efficiency of He filling and SIA-V recombination increases as temperature increases due to increased point defect mobility. Likewise, substitutional He is more susceptible to displacement during a collision cascade than W. This susceptibility increases towards higher temperatures. Consequently, the number of surviving V is governed by the interplay between displaced substitutional He and SIA-V recombination. The temperature dependence of these processes results in a minimum number of V reached at an intermediate temperature.

  8. 24 CFR 983.352 - Vacancy payment.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... keep the payment if the PHA determines that the vacancy is the owner's fault. (b) Vacancy payment at...); (ii) The owner certifies that the vacancy is not the fault of the owner and that the unit was...

  9. 24 CFR 983.352 - Vacancy payment.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... keep the payment if the PHA determines that the vacancy is the owner's fault. (b) Vacancy payment at...); (ii) The owner certifies that the vacancy is not the fault of the owner and that the unit was...

  10. 24 CFR 983.352 - Vacancy payment.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... keep the payment if the PHA determines that the vacancy is the owner's fault. (b) Vacancy payment at...); (ii) The owner certifies that the vacancy is not the fault of the owner and that the unit was...

  11. Pathway studies in the fragmentation of Ge(CH 3) 4 involving Ge(3d,3p,3s) and C(1s) inner-shell photoexcitation in the range 49.5-450 eV

    NASA Astrophysics Data System (ADS)

    Boo, Bong Hyun; Saito, Norio; Suzuki, Isao H.; Koyano, Inosuke

    2002-06-01

    The dissociative multiple photoionization of tetramethylgermane (Ge(CH 3) 4) in the valence, and in the Ge(3d,3p,3s) and C(1s) inner-shell regions has been studied by using time-of-flight mass spectrometry coupled to synchrotron radiation in the range 49.5-450 eV. Total and individual photoion yields have been recorded as a function of the incident photon energy. Several discrete resonances over a structureless giant resonance are observed below the Ge(3p), Ge(3s) and C(1s) threshold regions. The structureless giant resonance corresponding to the Ge(3d) presumably arises from the continuum enhancement caused by the 3d→ɛf transition. Various monocations of H +, H 2+, CH n+ ( n=0-4), C 2H n+ ( n=0-5), GeH n+, GeCH n+, GeC 2H n+, and GeC 3H n+ are detected in the whole energy range. Dissociation processes have also been investigated by photoelectron-photoion and photoion-photoion coincidence methods. The dominant dissociation channel is found to be CH n+-GeCH n+ in the whole energy examined. Specific energy dependence of dissociation processes is observed in the Ge(3p) and Ge(3s) regions. With the help of ab initio HF/6-311++G(2df,p) calculation, we roughly estimated the photoabsorption positions and symmetries for the discrete core hole states.

  12. Counting vacancies and nitrogen-vacancy centers in detonation nanodiamond

    NASA Astrophysics Data System (ADS)

    Chang, Shery L. Y.; Barnard, Amanda S.; Dwyer, Christian; Boothroyd, Chris B.; Hocking, Rosalie K.; Ōsawa, Eiji; Nicholls, Rebecca J.

    2016-05-01

    Detonation nanodiamond particles (DND) contain highly-stable nitrogen-vacancy (N-V) centers, making it important for quantum-optical and biotechnology applications. However, due to the small particle size, the N-V concentrations are believed to be intrinsically very low, spawning efforts to understand the formation of N-V centers and vacancies, and increase their concentration. Here we show that vacancies in DND can be detected and quantified using simulation-aided electron energy loss spectroscopy. Despite the small particle size, we find that vacancies exist at concentrations of about 1 at%. Based on this experimental finding, we use ab initio calculations to predict that about one fifth of vacancies in DND form N-V centers. The ability to directly detect and quantify vacancies in DND, and predict the corresponding N-V formation probability, has a significant impact to those emerging technologies where higher concentrations and better dispersion of N-V centres are critically required.Detonation nanodiamond particles (DND) contain highly-stable nitrogen-vacancy (N-V) centers, making it important for quantum-optical and biotechnology applications. However, due to the small particle size, the N-V concentrations are believed to be intrinsically very low, spawning efforts to understand the formation of N-V centers and vacancies, and increase their concentration. Here we show that vacancies in DND can be detected and quantified using simulation-aided electron energy loss spectroscopy. Despite the small particle size, we find that vacancies exist at concentrations of about 1 at%. Based on this experimental finding, we use ab initio calculations to predict that about one fifth of vacancies in DND form N-V centers. The ability to directly detect and quantify vacancies in DND, and predict the corresponding N-V formation probability, has a significant impact to those emerging technologies where higher concentrations and better dispersion of N-V centres are critically

  13. Counting vacancies and nitrogen-vacancy centers in detonation nanodiamond.

    PubMed

    Chang, Shery L Y; Barnard, Amanda S; Dwyer, Christian; Boothroyd, Chris B; Hocking, Rosalie K; Ōsawa, Eiji; Nicholls, Rebecca J

    2016-05-19

    Detonation nanodiamond particles (DND) contain highly-stable nitrogen-vacancy (N-V) centers, making it important for quantum-optical and biotechnology applications. However, due to the small particle size, the N-V concentrations are believed to be intrinsically very low, spawning efforts to understand the formation of N-V centers and vacancies, and increase their concentration. Here we show that vacancies in DND can be detected and quantified using simulation-aided electron energy loss spectroscopy. Despite the small particle size, we find that vacancies exist at concentrations of about 1 at%. Based on this experimental finding, we use ab initio calculations to predict that about one fifth of vacancies in DND form N-V centers. The ability to directly detect and quantify vacancies in DND, and predict the corresponding N-V formation probability, has a significant impact to those emerging technologies where higher concentrations and better dispersion of N-V centres are critically required. PMID:27147128

  14. Exploration of Vacancies in Solid 4^He

    NASA Astrophysics Data System (ADS)

    Clark, Bryan; Ceperley, David

    2006-03-01

    Experiments by Kim and Chan [1] have renewed interest in the understanding of supersolids and whether mechanisms exist in solid ^4He to allow for supersolid-like effects. Ground state vacancies would lead to bose condensation and superfluidity. Using Path Integral Monte Carlo we examine vacancy formation energies, vacancy-vacancy interactions and the effect of vacancies on supersolid behavior in solid ^4He. [1] E. Kim and M. H. Chan, Science 305, 1941 (2004).

  15. Displacement cascades and defect annealing in tungsten, Part II: Object kinetic Monte Carlo simulation of tungsten cascade aging

    NASA Astrophysics Data System (ADS)

    Nandipati, Giridhar; Setyawan, Wahyu; Heinisch, Howard L.; Roche, Kenneth J.; Kurtz, Richard J.; Wirth, Brian D.

    2015-07-01

    The results of object kinetic Monte Carlo (OKMC) simulations of the annealing of primary cascade damage in bulk tungsten using a comprehensive database of cascades obtained from molecular dynamics (Setyawan et al.) are described as a function of primary knock-on atom (PKA) energy at temperatures of 300, 1025 and 2050 K. An increase in SIA clustering coupled with a decrease in vacancy clustering with increasing temperature, in addition to the disparate mobilities of SIAs versus vacancies, causes an interesting effect of temperature on cascade annealing. The annealing efficiency (the ratio of the number of defects after and before annealing) exhibits an inverse U-shape curve as a function of temperature. The capabilities of the newly developed OKMC code KSOME (kinetic simulations of microstructure evolution) used to carry out these simulations are described.

  16. Displacement cascades and defect annealing in tungsten, Part II: Object kinetic Monte Carlo Simulation of Tungsten Cascade Aging

    SciTech Connect

    Nandipati, Giridhar; Setyawan, Wahyu; Heinisch, Howard L.; Roche, Kenneth J.; Kurtz, Richard J.; Wirth, Brian D.

    2015-07-01

    The results of object kinetic Monte Carlo (OKMC) simulations of the annealing of primary cascade damage in bulk tungsten using a comprehensive database of cascades obtained from molecular dynamics (Setyawan et al.) are described as a function of primary knock-on atom (PKA) energy at temperatures of 300, 1025 and 2050 K. An increase in SIA clustering coupled with a decrease in vacancy clustering with increasing temperature, in addition to the disparate mobilities of SIAs versus vacancies, causes an interesting effect of temperature on cascade annealing. The annealing efficiency (the ratio of the number of defects after and before annealing) exhibits an inverse U-shape curve as a function of temperature. The capabilities of the newly developed OKMC code KSOME (kinetic simulations of microstructure evolution) used to carry out these simulations are described.

  17. MOLECULAR DYNAMICS OF CASCADES OVERLAP IN TUNGSTEN WITH 20-KEV PRIMARY KNOCK-ON ATOMS

    SciTech Connect

    Setyawan, Wahyu; Nandipati, Giridhar; Roche, Kenneth J.; Kurtz, Richard J.; Wirth, Brian D.

    2015-04-16

    Molecular dynamics simulations are performed to investigate the mutual influence of two subsequent cascades in tungsten. The influence is studied using 20-keV primary knock-on atoms, to induce one cascade after another separated by 15 ps, in a lattice temperature of 1025 K (i.e. 0.25 of the melting temperature of the interatomic potential). The center of mass of the vacancies at the peak damage during the cascade is taken as the location of the cascade. The distance between this location to that of the next cascade is taken as the overlap parameter. Empirical fits describing the number of surviving vacancies and interstitial atoms as a function of overlap are presented.

  18. 7 CFR 932.33 - Vacancies.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... and Orders; Fruits, Vegetables, Nuts), DEPARTMENT OF AGRICULTURE OLIVES GROWN IN CALIFORNIA Order Regulating Handling Olive Administrative Committee § 932.33 Vacancies. To fill any vacancy occasioned by...

  19. 7 CFR 932.33 - Vacancies.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... AND ORDERS; FRUITS, VEGETABLES, NUTS), DEPARTMENT OF AGRICULTURE OLIVES GROWN IN CALIFORNIA Order Regulating Handling Olive Administrative Committee § 932.33 Vacancies. To fill any vacancy occasioned by...

  20. 7 CFR 932.33 - Vacancies.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... AND ORDERS; FRUITS, VEGETABLES, NUTS), DEPARTMENT OF AGRICULTURE OLIVES GROWN IN CALIFORNIA Order Regulating Handling Olive Administrative Committee § 932.33 Vacancies. To fill any vacancy occasioned by...

  1. 7 CFR 932.33 - Vacancies.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... and Orders; Fruits, Vegetables, Nuts), DEPARTMENT OF AGRICULTURE OLIVES GROWN IN CALIFORNIA Order Regulating Handling Olive Administrative Committee § 932.33 Vacancies. To fill any vacancy occasioned by...

  2. 7 CFR 932.33 - Vacancies.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... and Orders; Fruits, Vegetables, Nuts), DEPARTMENT OF AGRICULTURE OLIVES GROWN IN CALIFORNIA Order Regulating Handling Olive Administrative Committee § 932.33 Vacancies. To fill any vacancy occasioned by...

  3. 7 CFR 930.27 - Vacancies.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... MICHIGAN, NEW YORK, PENNSYLVANIA, OREGON, UTAH, WASHINGTON, AND WISCONSIN Order Regulating Handling Administrative Body § 930.27 Vacancies. To fill any vacancy occasioned by the failure of any person appointed...

  4. 7 CFR 1160.205 - Vacancies.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... National Fluid Milk Processor Promotion Board § 1160.205 Vacancies. To fill any vacancy occasioned by the... a successor from the most recent list of nominations made by individual fluid milk processors...

  5. 7 CFR 1205.327 - Vacancies.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... AND ORDERS; MISCELLANEOUS COMMODITIES), DEPARTMENT OF AGRICULTURE COTTON RESEARCH AND PROMOTION Cotton Research and Promotion Order Cotton Board § 1205.327 Vacancies. To fill any vacancy occasioned by...

  6. 7 CFR 1205.327 - Vacancies.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... AND ORDERS; MISCELLANEOUS COMMODITIES), DEPARTMENT OF AGRICULTURE COTTON RESEARCH AND PROMOTION Cotton Research and Promotion Order Cotton Board § 1205.327 Vacancies. To fill any vacancy occasioned by...

  7. 7 CFR 1205.327 - Vacancies.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... AND ORDERS; MISCELLANEOUS COMMODITIES), DEPARTMENT OF AGRICULTURE COTTON RESEARCH AND PROMOTION Cotton Research and Promotion Order Cotton Board § 1205.327 Vacancies. To fill any vacancy occasioned by...

  8. 7 CFR 981.36 - Vacancy.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... Orders; Fruits, Vegetables, Nuts), DEPARTMENT OF AGRICULTURE ALMONDS GROWN IN CALIFORNIA Order Regulating Handling Almond Board of California § 981.36 Vacancy. To fill any vacancy occasioned by the death,...

  9. 7 CFR 981.36 - Vacancy.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... Orders; Fruits, Vegetables, Nuts), DEPARTMENT OF AGRICULTURE ALMONDS GROWN IN CALIFORNIA Order Regulating Handling Almond Board of California § 981.36 Vacancy. To fill any vacancy occasioned by the death,...

  10. 7 CFR 981.36 - Vacancy.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... ORDERS; FRUITS, VEGETABLES, NUTS), DEPARTMENT OF AGRICULTURE ALMONDS GROWN IN CALIFORNIA Order Regulating Handling Almond Board of California § 981.36 Vacancy. To fill any vacancy occasioned by the death,...

  11. 7 CFR 981.36 - Vacancy.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... ORDERS; FRUITS, VEGETABLES, NUTS), DEPARTMENT OF AGRICULTURE ALMONDS GROWN IN CALIFORNIA Order Regulating Handling Almond Board of California § 981.36 Vacancy. To fill any vacancy occasioned by the death,...

  12. 7 CFR 981.36 - Vacancy.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... Orders; Fruits, Vegetables, Nuts), DEPARTMENT OF AGRICULTURE ALMONDS GROWN IN CALIFORNIA Order Regulating Handling Almond Board of California § 981.36 Vacancy. To fill any vacancy occasioned by the death,...

  13. 7 CFR 1230.35 - Vacancies.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... AND ORDERS; MISCELLANEOUS COMMODITIES), DEPARTMENT OF AGRICULTURE PORK PROMOTION, RESEARCH, AND CONSUMER INFORMATION Pork Promotion, Research, and Consumer Information Order National Pork Producers Delegate Body § 1230.35 Vacancies. To fill any vacancy occasioned by the death, removal, resignation,...

  14. 7 CFR 1230.35 - Vacancies.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... AND ORDERS; MISCELLANEOUS COMMODITIES), DEPARTMENT OF AGRICULTURE PORK PROMOTION, RESEARCH, AND CONSUMER INFORMATION Pork Promotion, Research, and Consumer Information Order National Pork Producers Delegate Body § 1230.35 Vacancies. To fill any vacancy occasioned by the death, removal, resignation,...

  15. 7 CFR 982.35 - Vacancy.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... ORDERS; FRUITS, VEGETABLES, NUTS), DEPARTMENT OF AGRICULTURE HAZELNUTS GROWN IN OREGON AND WASHINGTON Order Regulating Handling Hazelnut Control Board § 982.35 Vacancy. To fill any vacancy occasioned by...

  16. 7 CFR 982.35 - Vacancy.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... Orders; Fruits, Vegetables, Nuts), DEPARTMENT OF AGRICULTURE HAZELNUTS GROWN IN OREGON AND WASHINGTON Order Regulating Handling Hazelnut Control Board § 982.35 Vacancy. To fill any vacancy occasioned by...

  17. 7 CFR 982.35 - Vacancy.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... Orders; Fruits, Vegetables, Nuts), DEPARTMENT OF AGRICULTURE HAZELNUTS GROWN IN OREGON AND WASHINGTON Order Regulating Handling Hazelnut Control Board § 982.35 Vacancy. To fill any vacancy occasioned by...

  18. 7 CFR 982.35 - Vacancy.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... ORDERS; FRUITS, VEGETABLES, NUTS), DEPARTMENT OF AGRICULTURE HAZELNUTS GROWN IN OREGON AND WASHINGTON Order Regulating Handling Hazelnut Control Board § 982.35 Vacancy. To fill any vacancy occasioned by...

  19. 7 CFR 982.35 - Vacancy.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... Orders; Fruits, Vegetables, Nuts), DEPARTMENT OF AGRICULTURE HAZELNUTS GROWN IN OREGON AND WASHINGTON Order Regulating Handling Hazelnut Control Board § 982.35 Vacancy. To fill any vacancy occasioned by...

  20. THE EFFECTS OF GRAIN BOUNDARIES ON RADIATION DAMAGE PRODUCTION BY DISPLACEMENT CASCADES IN α-Fe

    SciTech Connect

    Heinisch, Howard L.; Kurtz, Richard J.; Gao, Fei

    2011-04-17

    It is well known that grain boundaries in metals can be sinks for migrating defects such as mobile interstitial atoms, but less is known about the effects of grain boundaries on defect production and defect-grain boundary interactions due to displacement cascades in the vicinity of grain boundaries. Molecular dynamics simulations were performed for displacement cascades in the vicinity of both a symmetric {Sigma}3<110>{l_brace}112{r_brace} and a symmetric {Sigma}11<110>{l_brace}323{r_brace} grain boundary (GB) in {alpha}-Fe to investigate cascade-GB interactions and defect creation near GBs. Both self-interstitial atoms and vacancies are created within the {Sigma}11 GB as well as within the {Sigma}3 GB, although fewer defects are trapped in the {Sigma}3 GB than in the {Sigma}11. See Figures 1-3 and typical cascades in Figure 4. The relative numbers of surviving vacancies and interstitials per cascade residing within the GB vary as a function of the distance of the primary knock-on atom from the GB, with more interstitials than vacancies arriving at the GB from distant cascades. For both {Sigma}3 and {Sigma}11 GBs the total number of surviving defects per cascade increases somewhat with decreasing distance of the cascade from the GB, indicating that having some fraction of the defects trapped in the GB promotes the initial survival of more cascade defects overall relative to cascades in the perfect crystal. Molecular statics simulations of defect formation energies within the GBs (Figure 5) confirm that both vacancies and self-interstitials have lower defect formation energies in both the {Sigma}3 and {Sigma}11 GBs relative to their formation energies in the perfect crystal.

  1. 7 CFR 7.13 - Vacancies.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 7 Agriculture 1 2010-01-01 2010-01-01 false Vacancies. 7.13 Section 7.13 Agriculture Office of the Secretary of Agriculture SELECTION AND FUNCTIONS OF AGRICULTURAL STABILIZATION AND CONSERVATION STATE, COUNTY AND COMMUNITY COMMITTEES § 7.13 Vacancies. (a) In case of a vacancy in the office of chairperson of county or community committee,...

  2. Atomistic Simulation of Displacement Cascades in Zircon

    SciTech Connect

    Devanathan, Ram; Weber, William J.; Corrales, Louis R.; BP McGrail and GA Cragnolino

    2002-05-06

    Low energy displacement cascades in zircon (ZrSiO4) initiated by a Zr primary knock-on atom have been investigated by molecular dynamics simulations using a Coulombic model for long-range interactions, Buckingham potential for short-range interactions and Ziegler-Biersack potentials for close pair interactions. Displacements were found to occur mainly in the O sublattice, and O replacements by a ring mechanism were predominant. Clusters containing Si interstitials bridged by O interstitials, vacancy clusters and anti-site defects were found to occur. This Si-O-Si bridging is considerable in quenched liquid ZrSiO4.

  3. Cascaded Mach–Zehnder interferometer tunable filters

    NASA Astrophysics Data System (ADS)

    Ovvyan, A. P.; Gruhler, N.; Ferrari, S.; Pernice, W. H. P.

    2016-06-01

    By cascading compact and low-loss Mach–Zehnder interferometers (MZIs) embedded within nanophotonic circuits we realize thermo-optically tunable optical filters for the visible wavelength range. Through phase tuning in either arm of the MZI, the filter response with maximum extinction can be shifted beyond one free-spectral range with low electrical power consumption. The working wavelength of our device is aligned with the emission wavelength of the silicon vacancy color center in diamond around 740 nm where we realize a filter depth beyond 36.5 dB. Our approach allows for efficient isolation of the emitted signal intensity in future hybrid nanodiamond-nanophotonic circuits.

  4. Interaction of displacement cascade with helium bubbles in alpha-iron: Computer simulation

    SciTech Connect

    Pu, Jin; Yang, Li; Gao, Fei; Heinisch, Howard L.; Kurtz, Richard J.; Zu, Xiaotao T.

    2008-09-01

    Molecular dynamics (MD) method has been performed to study the interaction of displacement cascade with He bubbles with two sets of potentials. The results show that the stability of He bubbles depends much on the initial He-vacancy (He/V) ratio and the recoil energy. For an initial He/V ratio of 3, the cascade leads to the increase in the number of vacancies in the He bubble and the decrease in the He/V ratio. For an initial He/V ratio of 0.5, the interaction of a cascade with the He/V bubble results in the decrease in the number of vacancies and the increase in the He/V ratio. For an initial He/V ratio of 1, the stability of the bubbles slightly depends on the primary knock-on atom (PKA) energy. Furthermore, a large number of self-interstitial atom clusters are formed after cascade collision for the He/V ratio of 3, while large vacancy clusters are observed for the He/V ratio of 0.5. However, some differences of defect production and clustering between the two sets of potentials are observed, which may be associated the formation energies of He-V clusters, the binding energies of vacancies and He atoms to the clusters and the probability of subcascade formation.

  5. Anomaly in Dependence of Radiation-induced Vacancy Accumulation on Grain Size

    SciTech Connect

    Yang, Yi; Huang, Hanchen; Zinkle, Steven J

    2010-01-01

    According to conventional steady-state rate theory predictions of displacement damage evolution in irradiated materials, the accumulation of vacancies decreases as grain size decreases. Using atomistic simulations, the authors report a transient anomaly in the dependence of radiation produced vacancy accumulation on grain size. Contrary to the conventional wisdom, the accumulation of vacancies can be higher in smaller grains than in larger grains during a transient stage. The anomaly is a result of competition between two atomic-level processes: grain boundary absorption and bulk recombination of point defects, each of which has characteristic length and time scales. A simple metal copper is used as the prototype of face-centered cubic material and electron radiation is the source of non-cascade defect production, both choices aiming at clarity for identifying physical mechanisms.

  6. Hydrogen in anion vacancies of semiconductors

    SciTech Connect

    Du, Mao-Hua; Singh, David J

    2009-01-01

    Density functional calculations show that, depending on the anion size, hydrogen in anion vacancies of various II-VI semiconductors can be either two-fold or four-fold coordinated, and has either amphoteric or shallow donor character. In general, the multi-coordination of hydrogen in an anion vacancy is the indication of an anionic H, H { ion, in the relatively ionic environment. In more covalent semiconductors, H would form a single cation-H bond in the anion vacancy.

  7. 7 CFR 1260.163 - Vacancies.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... AND ORDERS; MISCELLANEOUS COMMODITIES), DEPARTMENT OF AGRICULTURE BEEF PROMOTION AND RESEARCH Beef Promotion and Research Order Beef Promotion Operating Committee § 1260.163 Vacancies. To fill any...

  8. 7 CFR 1260.163 - Vacancies.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... AND ORDERS; MISCELLANEOUS COMMODITIES), DEPARTMENT OF AGRICULTURE BEEF PROMOTION AND RESEARCH Beef Promotion and Research Order Beef Promotion Operating Committee § 1260.163 Vacancies. To fill any...

  9. 7 CFR 1220.206 - Vacancies.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... AND ORDERS; MISCELLANEOUS COMMODITIES), DEPARTMENT OF AGRICULTURE SOYBEAN PROMOTION, RESEARCH, AND CONSUMER INFORMATION Soybean Promotion and Research Order United Soybean Board § 1220.206 Vacancies....

  10. 7 CFR 1220.206 - Vacancies.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... AND ORDERS; MISCELLANEOUS COMMODITIES), DEPARTMENT OF AGRICULTURE SOYBEAN PROMOTION, RESEARCH, AND CONSUMER INFORMATION Soybean Promotion and Research Order United Soybean Board § 1220.206 Vacancies....

  11. 7 CFR 1220.206 - Vacancies.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... AND ORDERS; MISCELLANEOUS COMMODITIES), DEPARTMENT OF AGRICULTURE SOYBEAN PROMOTION, RESEARCH, AND CONSUMER INFORMATION Soybean Promotion and Research Order United Soybean Board § 1220.206 Vacancies....

  12. 7 CFR 1220.206 - Vacancies.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... AND ORDERS; MISCELLANEOUS COMMODITIES), DEPARTMENT OF AGRICULTURE SOYBEAN PROMOTION, RESEARCH, AND CONSUMER INFORMATION Soybean Promotion and Research Order United Soybean Board § 1220.206 Vacancies....

  13. 7 CFR 1220.206 - Vacancies.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... AND ORDERS; MISCELLANEOUS COMMODITIES), DEPARTMENT OF AGRICULTURE SOYBEAN PROMOTION, RESEARCH, AND CONSUMER INFORMATION Soybean Promotion and Research Order United Soybean Board § 1220.206 Vacancies....

  14. 7 CFR 1207.324 - Vacancies.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... AND ORDERS; MISCELLANEOUS COMMODITIES), DEPARTMENT OF AGRICULTURE POTATO RESEARCH AND PROMOTION PLAN Potato Research and Promotion Plan National Potato Promotion Board § 1207.324 Vacancies. To fill...

  15. 7 CFR 1207.324 - Vacancies.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... AND ORDERS; MISCELLANEOUS COMMODITIES), DEPARTMENT OF AGRICULTURE POTATO RESEARCH AND PROMOTION PLAN Potato Research and Promotion Plan National Potato Promotion Board § 1207.324 Vacancies. To fill...

  16. 7 CFR 1207.324 - Vacancies.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... AND ORDERS; MISCELLANEOUS COMMODITIES), DEPARTMENT OF AGRICULTURE POTATO RESEARCH AND PROMOTION PLAN Potato Research and Promotion Plan National Potato Promotion Board § 1207.324 Vacancies. To fill...

  17. 7 CFR 1207.324 - Vacancies.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... AND ORDERS; MISCELLANEOUS COMMODITIES), DEPARTMENT OF AGRICULTURE POTATO RESEARCH AND PROMOTION PLAN Potato Research and Promotion Plan National Potato Promotion Board § 1207.324 Vacancies. To fill...

  18. 7 CFR 1207.324 - Vacancies.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... AND ORDERS; MISCELLANEOUS COMMODITIES), DEPARTMENT OF AGRICULTURE POTATO RESEARCH AND PROMOTION PLAN Potato Research and Promotion Plan National Potato Promotion Board § 1207.324 Vacancies. To fill...

  19. Computer Simulation of Cascade Damage in α-Iron with Carbon in Solution

    SciTech Connect

    Andrew, Calder F; Bacon, David J; Barashev, Aleksandr; Osetskiy, Yury N

    2008-01-01

    Molecular dynamics simulation method is used to investigate defect production by displacement cascades in iron with carbon (C) in solution. This is the first study of cascade damage in a metal containing interstitial solute. Iron is of particular interest because of the use of ferritic steels in plant for nuclear power generation. Cascades are simulated with energy in the range 5 to 20keV in iron at either 100 or 600K containing carbon with concentration in the range 0 to 1at%. C in solution has no discernible effect on the number of defects produced in cascades under any of the conditions simulated, nor on the clustered fraction of either self-interstitial atoms (SIAs) or vacancies. However, significant fractions of single SIAs and vacancies are trapped by C in the cascade process, irrespective of cascade energy. The fraction is independent of temperature for vacancies, but increases strongly with temperature for SIAs: this is a consequence of the higher mobility of the SIA.

  20. MD description of damage production in displacement cascades in copper and α-iron.

    SciTech Connect

    Bacon, David J; Osetskiy, Yury N; Stoller, Roger E; Voskoboinikov, Roman E

    2003-01-01

    Molecular dynamics computer simulation was applied for an extensive study of primary damage creation in displacement cascades in copper and {alpha}-iron. Primary knock-on atom energy, E{sub p}, of up to 25 keV in copper and 100 keV in iron was considered for irradiation temperatures in the range 100-900 K. Special attention was paid to comprehensive statistical treatment of the number and type of defects created in cascades by conducting multiple simulations for each value of energy and temperature. The total number of point defects per cascade is significantly lower than that predicted by the NRT model and rather similar in the two metals. The fraction of self-interstitial atoms (SIAs) and vacancies that agglomerate in clusters in the cascade process was analysed in detail. The clustered fraction of SIAs increases with temperature increase and is larger in copper than iron. SIA clusters have a variety of forms in both metals and, although most are glissile clusters of parallel crowdions, a significant fraction are sessile. The latter include Frank dislocation loops in copper. Tightly packed arrangements of vacancies do not form in iron, and so the fraction of clustered vacancies depends strongly on the range within which point defects are defined to be near-neighbours. Arrangements of vacancies in first-neighbour sites are common in copper. Most are irregular stacking fault tetrahedra (SFTs). In 53 simulations of cascades with E{sub p} = 25 keV at 100 K, the largest cluster formed contained 89 vacancies. The size spectrum of SFT-like clusters is similar to that found experimentally in neutron-irradiated copper, suggesting that the SFTs observed in experiment are formed directly in the cascade process.

  1. 7 CFR 993.32 - Vacancies.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... Order Regulating Handling Prune Marketing Committee § 993.32 Vacancies. In the event of any committee vacancy occasioned by the removal, resignation, disqualification, or death of any member, or in the event... producer member position to represent independent producers may, at the discretion of the committee,...

  2. 38 CFR 1.896 - Publicizing vacancies.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 38 Pensions, Bonuses, and Veterans' Relief 1 2010-07-01 2010-07-01 false Publicizing vacancies. 1.896 Section 1.896 Pensions, Bonuses, and Veterans' Relief DEPARTMENT OF VETERANS AFFAIRS GENERAL PROVISIONS Part-Time Career Employment Program § 1.896 Publicizing vacancies. When applicants from...

  3. 38 CFR 1.896 - Publicizing vacancies.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 38 Pensions, Bonuses, and Veterans' Relief 1 2011-07-01 2011-07-01 false Publicizing vacancies. 1.896 Section 1.896 Pensions, Bonuses, and Veterans' Relief DEPARTMENT OF VETERANS AFFAIRS GENERAL PROVISIONS Part-Time Career Employment Program § 1.896 Publicizing vacancies. When applicants from...

  4. 22 CFR 506.6 - Publicizing vacancies.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 22 Foreign Relations 2 2013-04-01 2009-04-01 true Publicizing vacancies. 506.6 Section 506.6 Foreign Relations BROADCASTING BOARD OF GOVERNORS PART-TIME CAREER EMPLOYMENT PROGRAM § 506.6 Publicizing... Employment Offices. (c) Broadcasting Board of Governors Vacancy Announcements. (d) College and...

  5. 22 CFR 506.6 - Publicizing vacancies.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 22 Foreign Relations 2 2011-04-01 2009-04-01 true Publicizing vacancies. 506.6 Section 506.6 Foreign Relations BROADCASTING BOARD OF GOVERNORS PART-TIME CAREER EMPLOYMENT PROGRAM § 506.6 Publicizing... Employment Offices. (c) Broadcasting Board of Governors Vacancy Announcements. (d) College and...

  6. 22 CFR 506.6 - Publicizing vacancies.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 22 Foreign Relations 2 2014-04-01 2014-04-01 false Publicizing vacancies. 506.6 Section 506.6 Foreign Relations BROADCASTING BOARD OF GOVERNORS PART-TIME CAREER EMPLOYMENT PROGRAM § 506.6 Publicizing... Employment Offices. (c) Broadcasting Board of Governors Vacancy Announcements. (d) College and...

  7. 22 CFR 506.6 - Publicizing vacancies.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 22 Foreign Relations 2 2012-04-01 2009-04-01 true Publicizing vacancies. 506.6 Section 506.6 Foreign Relations BROADCASTING BOARD OF GOVERNORS PART-TIME CAREER EMPLOYMENT PROGRAM § 506.6 Publicizing... Employment Offices. (c) Broadcasting Board of Governors Vacancy Announcements. (d) College and...

  8. 22 CFR 506.6 - Publicizing vacancies.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 22 Foreign Relations 2 2010-04-01 2010-04-01 true Publicizing vacancies. 506.6 Section 506.6 Foreign Relations BROADCASTING BOARD OF GOVERNORS PART-TIME CAREER EMPLOYMENT PROGRAM § 506.6 Publicizing... Employment Offices. (c) Broadcasting Board of Governors Vacancy Announcements. (d) College and...

  9. South Cascade Glacier bibliography

    SciTech Connect

    Fountain, A.G.; Fulk, M.A.

    1984-01-01

    South Cascade Glacier, in Washington State, resides in a well-defined basin with mainly unglacierized divides making it ideal for most glaciological and hydrological studies. This bibliography is divided into three cateogories: (1) studies done about South Cascade Glacier specifically; (2) studies that use data from South Cascade Glacier but do not focus on or give insight to the glacier itself; and (3) instrumentation studies and non-glacier projects including snow studies done in the basin. (ACR)

  10. Vacancies and antisite defects in ordered alloys

    SciTech Connect

    Johnson, R.A.; Brown, J.R. )

    1992-12-01

    Equations for the concentrations of vacancies and antisite defects in ordered alloys in thermodynamic equilibrium at and near stoichiometry have been derived as functions of defect energies and a Lagrangian parameter. While the resulting equations cannot be solved analytically and in general require iterative calculations, an approximation is given that permits simple numerical evaluation with just a minor loss of accuracy. Using defect energies obtained from an embedded-atom method calculation for Cu[sub 3]Au, it is found that the adjustment for off-stoichiometric compositions is accounted for primarily by the creation of antisite defects rather than vacancies, and the vacancy concentration on Au sites is orders of magnitude less than that on Cu sites. There is a significant increase in the Au vacancy concentration but a slight decrease in the net vacancy content with increasing Cu fraction.

  11. Thermally cascaded thermoelectric generator

    NASA Technical Reports Server (NTRS)

    Flaherty, R.

    1970-01-01

    High efficiency thermoelectric generator utilizes a high-temperature thermoelectric material in thermal series with a low-temperature material. A thermally cascaded generator increases system efficiency.

  12. Temperature Effects on He bubbles production due to cascades in alpha-iron

    SciTech Connect

    Yang, Li; Zu, Xiaotao; Xiao, H Y.; Gao, Fei; Liu, K Z.; Heinisch, Howard L.; Kurtz, Richard J.; Yang, S Z.

    2006-07-15

    The effects of irradiation temperature on the formation of He?vacancy clusters by displacement cascades in *-Fe are investigated by molecular dynamics (MD) methods. The irradiation temperatures of 100 and 600K are considered for primary knock-on atom (PKA) energy, Ep, from 500 eV to 20 keV. The concentration of He in Fe varies from 1 to 5 at.%. We find that the number of Frenkel pairs (NF) at 600K is slightly lower than that at 100K for the same He concentration and Ep, but the number of He?vacancy clusters increases with increasing temperature for the same He concentration and energy recoils. However, the mean size of He?vacancy clusters is independent on temperature. The mechanisms of He bubble nucleation in displacement cascades at different temperatures are discussed in detail.

  13. Effects of in-cascade defect clustering on near-term defect evolution

    SciTech Connect

    Heinisch, H.L.

    1997-08-01

    The effects of in-cascade defect clustering on the nature of the subsequent defect population are being studied using stochastic annealing simulations applied to cascades generated in molecular dynamics (MD) simulations. The results of the simulations illustrates the strong influence of the defect configuration existing in the primary damage state on subsequent defect evolution. The large differences in mobility and stability of vacancy and interstitial defects and the rapid one-dimensional diffusion of small, glissile interstitial loops produced directly in cascades have been shown to be significant factors affecting the evolution of the defect distribution. In recent work, the effects of initial cluster sizes appear to be extremely important.

  14. Cascaded automatic target recognition (Cascaded ATR)

    NASA Astrophysics Data System (ADS)

    Walls, Bradley

    2010-04-01

    The global war on terror has plunged US and coalition forces into a battle space requiring the continuous adaptation of tactics and technologies to cope with an elusive enemy. As a result, technologies that enhance the intelligence, surveillance, and reconnaissance (ISR) mission making the warfighter more effective are experiencing increased interest. In this paper we show how a new generation of smart cameras built around foveated sensing makes possible a powerful ISR technique termed Cascaded ATR. Foveated sensing is an innovative optical concept in which a single aperture captures two distinct fields of view. In Cascaded ATR, foveated sensing is used to provide a coarse resolution, persistent surveillance, wide field of view (WFOV) detector to accomplish detection level perception. At the same time, within the foveated sensor, these detection locations are passed as a cue to a steerable, high fidelity, narrow field of view (NFOV) detector to perform recognition level perception. Two new ISR mission scenarios, utilizing Cascaded ATR, are proposed.

  15. Theory of cascade refrigeration

    NASA Astrophysics Data System (ADS)

    Quack, Hans H.

    2012-06-01

    The maximum difference between the warm and cold temperature of a refrigeration cycle is limited by properties of the refrigerant and/or losses associated with the transport of the refrigerant. For larger temperature differences, one has to arrange several refrigeration cycles "above" each other, each cycle spanning a certain temperature difference. This approach is called cascade refrigeration and has played an important role in the history of cryogenics. For a theory of cascade refrigeration it is helpful to define a general one-stage non-reversible refrigeration step and to visualize it within the temperature-entropy diagram. Then one can combine several one-stage cycles to a cascade. There exist two types of cascades: "Full" cascades, where all entropy gains of a lower stage are transferred to the next higher temperature stage, and "partial" cascades, where each single cycle goes up to ambient temperature, where a part of the entropy gain is removed, and only the rest of the entropy gain is transferred to the next higher temperature stage. In cryogenic refrigeration "partial" cascades are generally more efficient than "full" cascades.

  16. Defect clusters formed from large collision cascades in fcc metals irradiated with spallation neutrons

    NASA Astrophysics Data System (ADS)

    Satoh, Y.; Matsuda, Y.; Yoshiie, T.; Kawai, M.; Matsumura, H.; Iwase, H.; Abe, H.; Kim, S. W.; Matsunaga, T.

    2013-11-01

    Fcc pure metals were irradiated with spallation neutrons (energies up to 500 MeV) at room temperature to a neutron fluence of 1 × 1018 n m-2 at KENS, High Energy Accelerator Research Organization (KEK). Defect clusters induced by large collision cascades were examined using transmission electron microscopy (TEM). In Au, large groups of defects included more than 10 clusters, and the damage zone extended over 50 nm, which was larger than that induced by fusion neutron irradiation (<20 nm). Although small stacking fault tetrahedra (SFT) are formed in subcascades by fission and fusion neutron irradiation, dislocation loops were also observed in the present experiments. Large dislocation loops (>10 nm) were identified as vacancy type by the conventional inside-outside contrast method. Because of the low neutron fluence, spatial overlapping of collision cascades was ignored. Large vacancy loops are formed through cooperative reactions among subcascades in a single collision cascade with large recoil energy.

  17. Understanding long-time vacancy aggregation in iron: A kinetic activation-relaxation technique study

    NASA Astrophysics Data System (ADS)

    Brommer, Peter; Béland, Laurent Karim; Joly, Jean-François; Mousseau, Normand

    2014-10-01

    Vacancy diffusion and clustering processes in body-centered-cubic (bcc) Fe are studied using the kinetic activation-relaxation technique (k-ART), an off-lattice kinetic Monte Carlo method with on-the-fly catalog building capabilities. For monovacancies and divacancies, k-ART recovers previously published results while clustering in a 50-vacancy simulation box agrees with experimental estimates. Applying k-ART to the study of clustering pathways for systems containing from one to six vacancies, we find a rich set of diffusion mechanisms. In particular, we show that the path followed to reach a hexavacancy cluster influences greatly the associated mean-square displacement. Aggregation in a 50-vacancy box also shows a notable dispersion in relaxation time associated with effective barriers varying from 0.84 to 1.1 eV depending on the exact pathway selected. We isolate the effects of long-range elastic interactions between defects by comparing to simulations where those effects are deliberately suppressed. This allows us to demonstrate that in bcc Fe, suppressing long-range interactions mainly influences kinetics in the first 0.3 ms, slowing down quick energy release cascades seen more frequently in full simulations, whereas long-term behavior and final state are not significantly affected.

  18. Structural relaxation of vacancies in amorphous silicon

    SciTech Connect

    Kim, E.; Lee, Y.H.; Chen, C.; Pang, T.

    1997-07-01

    The authors have studied the structural relaxation of vacancies in amorphous silicon (a-Si) using a tight-binding molecular-dynamics method. The most significant difference between vacancies in a-Si and those in crystalline silicon (c-Si) is that the deep gap states do not show up in a-Si. This difference is explained through the unusual behavior of the structural relaxation near the vacancies in a-Si, which enhances the sp{sup 2} + p bonding near the band edges. They have also observed that the vacancies do not migrate below 450 K although some of them can still be annihilated, particularly at high defect density due to large structural relaxation.

  19. 7 CFR 1260.146 - Vacancies.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... AND ORDERS; MISCELLANEOUS COMMODITIES), DEPARTMENT OF AGRICULTURE BEEF PROMOTION AND RESEARCH Beef Promotion and Research Order Cattlemen's Beef Promotion and Research Board § 1260.146 Vacancies. To fill...

  20. 7 CFR 1260.146 - Vacancies.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... AND ORDERS; MISCELLANEOUS COMMODITIES), DEPARTMENT OF AGRICULTURE BEEF PROMOTION AND RESEARCH Beef Promotion and Research Order Cattlemen's Beef Promotion and Research Board § 1260.146 Vacancies. To fill...

  1. 7 CFR 989.34 - Vacancies.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... AND ORDERS; FRUITS, VEGETABLES, NUTS), DEPARTMENT OF AGRICULTURE RAISINS PRODUCED FROM GRAPES GROWN IN CALIFORNIA Order Regulating Handling Raisin Administrative Committee § 989.34 Vacancies. To fill any...

  2. 7 CFR 989.34 - Vacancies.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... and Orders; Fruits, Vegetables, Nuts), DEPARTMENT OF AGRICULTURE RAISINS PRODUCED FROM GRAPES GROWN IN CALIFORNIA Order Regulating Handling Raisin Administrative Committee § 989.34 Vacancies. To fill any...

  3. 7 CFR 989.34 - Vacancies.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... and Orders; Fruits, Vegetables, Nuts), DEPARTMENT OF AGRICULTURE RAISINS PRODUCED FROM GRAPES GROWN IN CALIFORNIA Order Regulating Handling Raisin Administrative Committee § 989.34 Vacancies. To fill any...

  4. Highly Itinerant Atomic Vacancies in Phosphorene.

    PubMed

    Cai, Yongqing; Ke, Qingqing; Zhang, Gang; Yakobson, Boris I; Zhang, Yong-Wei

    2016-08-17

    Using detailed first-principles calculations, we investigate the hopping rate of vacancies in phosphorene, an emerging elemental 2D material besides graphene. Our work predicts that a direct observation of these monovacancies (MVs), showing a highly mobile and anisotropic motion, is possible only at low temperatures around 70 K or below where the thermal activity is greatly suppressed. At room temperature, the motion of a MV is 16 orders faster than that in graphene, because of the low diffusion barrier of 0.3 eV. Built-in strain associated with the vacancies extends far along the zigzag direction while attenuating rapidly along the armchair direction. We reveal new features of the motion of divacancies (DVs) in phosphorene via multiple dissociation-recombination processes of vacancies owing to a small energy cost of ∼1.05 eV for the splitting of a DV into two MVs. Furthermore, we find that uniaxial tensile strain along the zigzag direction can promote the motion of MVs, while the tensile strain along the armchair direction has the opposite effect. These itinerant features of vacancies, rooted in the unique puckering structure facilitating bond reorganization, enable phosphorene to be a bright new opportunity to broaden the knowledge of the evolution of vacancies, and a proper control of the exceedingly active and anisotropic movement of the vacancies should be critical for applications based on phosphorene. PMID:27448591

  5. 5. VIEW OF UPPER AND LOWER CASCADE BRIDGES AND CASCADE ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    5. VIEW OF UPPER AND LOWER CASCADE BRIDGES AND CASCADE CREEK FROM 100 YARDS WEST OF THE ROSTRUM (ROCK FORMATION ON SOUTH SIDE OF MERCED RIVER). HIGHWAY 140 IS AT BOTTOM OF FRAME. HIGHWAY 120, THE BIG OAK FLAT ROAD CROSSES FRAME JUST ABOVE CENTER. - Cascade Creek Bridge, Spanning Cascade Creek on New Big Oak Flat Road, Yosemite Village, Mariposa County, CA

  6. Unsteady Euler cascade analysis

    NASA Technical Reports Server (NTRS)

    Liu, Jong-Shang; Sockol, Peter M.

    1989-01-01

    The results of an investigation of the rotor-stator interaction phenomena in turbomachines are presented. Numerical study was carried out by solving the unsteady Euler equations in the blade-to-blade direction for a variety of cascade geometries. The problem of uneven rotor and stator blades is addressed by adopting the tilted time domain technique. Computed solutions are presented and discussed for a NACA 0012 type cascade and the first stage fuel turbopump of the Space Shuttle Main Engine (SSME).

  7. Binary collision Monte Carlo simulations of cascades in polyatomic ceramics*1

    NASA Astrophysics Data System (ADS)

    Ghoniem, N. M.; Chou, S. P.

    1988-07-01

    The understanding of radiation damage phenomena in polyatomic ceramic materials (PCMs) is still at an early stage as compared to that in metallic structural alloys. The binary collision approximation (BCA) is used in a Monte Carlo (MC) study of high-energy collision-cascade creation in SPINEL (MgAl 2O 4). The study focuses on two aspects of cascade generation: cascade morphology and cascade stoichiometry. In the high-energy regime, typical of fusion neutrons, cascades show a tree-like morphology. To a large degree, instantaneous recombination occurs in the "stem" part of the cascade because of the closer separation of vacancy-interstitial pairs. Following this recombination phase, fusion neutron cascades tend to result in Frenkel pairs distributed on the "branches" of the tree in a zone extending over 100 to 200 nm. The stoichiometry of displacements within the cascade is found to be substantially different from bulk stoichiometry and is dependent upon the energy and type of primary knock-on atom (PKA). Limitations of the BCA to model the low energy characteristics of the cascade are discussed in the paper.

  8. The nitrogen cascade

    SciTech Connect

    Galloway J.N.; Aber J.D.; Erisman J.W.; Seitzinger S.P.; Howarth R.W.; Cowling E.B.; Cosby B.J.

    2003-04-01

    Human production of food and energy is the dominant continental process that breaks the triple bond in molecular nitrogen (N{sub 2}) and creates reactive nitrogen (Nr) species. Circulation of anthropogenic Nr in Earth's atmosphere, hydrosphere, and biosphere has a wide variety of consequences, which are magnified with time as Nr moves along its biogeochemical pathway. The same atom of Nr can cause multiple effects in the atmosphere, in terrestrial ecosystems, in freshwater and marine systems, and on human health. We call this sequence of effects the nitrogen cascade. As the cascade progresses, the origin of Nr becomes unimportant. Reactive nitrogen does not cascade at the same rate through all environmental systems; some systems have the ability to accumulate Nr, which leads to lag times in the continuation of the cascade. These lags slow the cascade and result in Nr accumulation in certain reservoirs, which in turn can enhance the effects of Nr on that environment. The only way to eliminate Nr accumulation and stop the cascade is to convert Nr back to nonreactive N{sub 2}.

  9. Correlated Formation and Stability of SIA Loops and Stacking Fault Tetrahedra in High Energy Displacement Cascades in Copper,

    SciTech Connect

    Voskoboinikov, Roman E; Osetskiy, Yury N; Bacon, David J

    2005-01-01

    Atomistic modeling was conducted for an investigation of primary damage creation, self-interstitial and vacancy clusters formation, and their stability in high energy displacement cascades in copper. The simulations were carried out for a wide range of temperatures (100 K {le} T {le} 900 K) and primary knock-on atom (PKA) energies 5 keV {le} Epka {le} 25 keV. This study of over 400 cascades is the largest yet reported for this metal. At least 20 cascades for each (Epka, T) pair were simulated in order to ensure statistical reliability of the results. The number of surviving point defects for each cascade and the mean value for cascades at the same temperature and PKA energy were found. The corresponding fraction of self-interstitial atoms (SIA) in dislocation loops and vacancies in stacking fault tetrahedron (SFT)-like clusters was calculated. Strong spatial and size correlation of SFTs and SIA clusters at low temperatures were established. In the context of high dose irradiation and the spatial overlap of displacement cascades, the stability of SFTs and dislocation loops inside an overlapping cascade region was investigated. It was observed that an SFT destroyed in the collision phase by a cascade is always recreated. On being completely enveloped by the region of displaced atoms, both SFT and SIA dislocation loops are destroyed with corresponding decrease of the number of residual point defects, whereas partial overlapping leads to increase in size of both types of cluster.

  10. Structure and Mobility of Defects Formed from Collision Cascades in MgO

    NASA Astrophysics Data System (ADS)

    Uberuaga, B. P.; Smith, R.; Cleave, A. R.; Montalenti, F.; Henkelman, G.; Grimes, R. W.; Voter, A. F.; Sickafus, K. E.

    2004-03-01

    We study radiation-damage events in MgO on experimental time scales by augmenting molecular dynamics cascade simulations with temperature accelerated dynamics, molecular statics, and density functional theory. At 400eV, vacancies and mono- and di-interstitials form, but often annihilate within milliseconds. At 2 and 5keV, larger clusters can form and persist. While vacancies are immobile, interstitials aggregate into clusters (In) with surprising properties; e.g., an I4 is immobile, but an im­pinging I2 can create a metastable I6 that diffuses on the nanosecond time scale but is stable for years.

  11. Atomic structure of titania nanosheet with vacancies

    PubMed Central

    Ohwada, Megumi; Kimoto, Koji; Mizoguchi, Teruyasu; Ebina, Yasuo; Sasaki, Takayoshi

    2013-01-01

    Titania nanosheets are two-dimensional single crystallites of titanium oxide with a thickness of one titanium or two oxygen atoms, and they show attractive material properties, such as photocatalytic reactions. Since a titania (Ti0.87O2) nanosheet is synthesized by the delamination of a parent layered K0.8Ti1.73Li0.27O4 crystal using a soft chemical procedure, substantial Ti vacancies are expected to be included and affect the material properties. The atomic arrangement of a titania nanosheet with vacancies has not been revealed owing to the difficulties of direct observation. Here, we have directly visualized the atomic arrangement and Ti vacancies of a titania nanosheet using advanced lower-voltage transmission electron microscopy (TEM). Analyses of the results of first-principles calculations and TEM image simulations for various Ti vacancy structure models indicate that two particular oxygen atoms around each Ti vacancy are desorbed, suggesting the sites where atomic reduction first occurs. PMID:24077611

  12. Displacement cascades and defect annealing in tungsten, Part III: The sensitivity of cascade annealing in tungsten to the values of kinetic parameters

    SciTech Connect

    Nandipati, Giridhar; Setyawan, Wahyu; Heinisch, Howard L.; Roche, Kenneth J.; Kurtz, Richard J.; Wirth, Brian D.

    2015-07-01

    Object kinetic Monte Carlo (OKMC) simulations have been performed to investigate various aspects of cascade aging in bulk tungsten and to determine the sensitivity of the results to the kinetic parameters. The primary focus is on how the kinetic parameters affect the initial recombination of defects in the first few ns of a simulation. The simulations were carried out using the object kinetic Monte Carlo (OKMC) code KSOME (kinetic simulations of microstructure evolution), using a database of cascades obtained from results of molecular dynamics (MD) simulations at various primary knock-on atom (PKA) energies and directions at temperatures of 300, 1025 and 2050 K. The OKMC model was parameterized using defect migration barriers and binding energies from ab initio calculations. Results indicate that, due to the disparate mobilities of SIA and vacancy clusters in tungsten, annealing is dominated by SIA migration even at temperatures as high as 2050 K. For 100 keV cascades initiated at 300 K recombination is dominated by annihilation of large defect clusters. But for all other PKA energies and temperatures most of the recombination is due to the migration and rotation of small SIA clusters, while all the large SIA clusters escape the cubic simulation cell. The inverse U-shape behavior exhibited by the annealing efficiency as a function of temperature curve, especially for cascades of large PKA energies, is due to asymmetry in SIA and vacancy clustering assisted by the large difference in mobilities of SIAs and vacancies. This annealing behavior is unaffected by the dimensionality of SIA migration persists over a broad range of relative mobilities of SIAs and vacancies.

  13. Tracking Earthquake Cascades

    NASA Astrophysics Data System (ADS)

    Jordan, T. H.

    2011-12-01

    In assessing their risk to society, earthquakes are best characterized as cascades that can propagate from the natural environment into the socio-economic (built) environment. Strong earthquakes rarely occur as isolated events; they usually cluster in foreshock-mainshock-aftershock sequences, seismic swarms, and extended sequences of large earthquakes that propagate along major fault systems. These cascades are regulated by stress-mediated interactions among faults driven by tectonic loading. Within these cascades, each large event can itself cause a chain reaction in which the primary effects of faulting and ground shaking induce secondary effects, including tsunami, landslides, liquefaction, and set off destructive processes within the built environment, such as fires and radiation leakage from nuclear plants. Recent earthquakes have demonstrated how the socio-economic effects of large earthquakes can reverberate for many years. To reduce earthquake risk and improve the resiliency of communities to earthquake damage, society depends on five geotechnologies for tracking earthquake cascades: long-term probabilistic seismic hazard analysis (PSHA), short-term (operational) earthquake forecasting, earthquake early warning, tsunami warning, and the rapid production of post-event information for response and recovery (see figure). In this presentation, I describe how recent advances in earthquake system science are leading to improvements in this geotechnology pipeline. In particular, I will highlight the role of earthquake simulations in predicting strong ground motions and their secondary effects before and during earthquake cascades

  14. Resonant Cascaded Downconversion

    SciTech Connect

    Weedbrook, Christian; Parrett, Ben; Kheruntsyan, Karen; Drummond, Peter; Pooser, Raphael C; Pfister, Olivier

    2012-01-01

    We analyze an optical parametric oscillator (OPO) in which cascaded down-conversion occurs inside a cavity resonant for all modes but the initial pump. Due to the resonant cascade design, the OPO presents two {chi}{sup (2)}-level oscillation thresholds that are therefore much lower than for a {chi}{sup (3)} OPO. This is promising for reaching the regime of an effective third-order nonlinearity well above both thresholds. Such a {chi}{sup (2)} cascaded device also has potential applications in frequency conversion to far-infrared regimes. But, most importantly, it can generate novel multipartite quantum correlations in the output radiation, which represent a step beyond squeezed or entangled light. The output can be highly non-Gaussian and therefore not describable by any semiclassical model. In this paper, we derive quantum stochastic equations in the positive-P representation and undertake an analysis of steady-state and dynamical properties of this system.

  15. Lattice Strain Due to an Atomic Vacancy

    PubMed Central

    Li, Shidong; Sellers, Michael S.; Basaran, Cemal; Schultz, Andrew J.; Kofke, David A.

    2009-01-01

    Volumetric strain can be divided into two parts: strain due to bond distance change and strain due to vacancy sources and sinks. In this paper, efforts are focused on studying the atomic lattice strain due to a vacancy in an FCC metal lattice with molecular dynamics simulation (MDS). The result has been compared with that from a continuum mechanics method. It is shown that using a continuum mechanics approach yields constitutive results similar to the ones obtained based purely on molecular dynamics considerations. PMID:19582230

  16. Hadron cascades produced by electromagnetic cascades

    SciTech Connect

    Nelson, W.R.; Jenkins, T.M.; Ranft, J.

    1986-12-01

    A method for calculating high energy hadron cascades induced by multi-GeV electron and photon beams is described. Using the EGS4 computer program, high energy photons in the EM shower are allowed to interact hadronically according to the vector meson dominance (VMD) model, facilitated by a Monte Carlo version of the dual multistring fragmentation model which is used in the hadron cascade code FLUKA. The results of this calculation compare very favorably with experimental data on hadron production in photon-proton collisions and on the hadron production by electron beams on targets (i.e., yields in secondary particle beam lines). Electron beam induced hadron star density contours are also presented and are compared with those produced by proton beams. This FLUKA-EGS4 coupling technique could find use in the design of secondary beams, in the determination high energy hadron source terms for shielding purposes, and in the estimation of induced radioactivity in targets, collimators and beam dumps.

  17. Collisional Cascades Revisited

    NASA Astrophysics Data System (ADS)

    Schlichting, Hilke; Pan, M.

    2013-01-01

    Collisional cascades are believed to be the primary mechanism operating in circumstellar dusty debris disks, and are thought to be important in the Kuiper and Asteroid belt. Collisional cascades transfer mass via destructive collisions from larger bodies to smaller ones. Their widespread occurrence and potential importance in understanding planet formation and planet-disk interactions have motivated detailed studies of collisional cascades. The standard theoretical treatment of collisional cascades derives a steady-state size distribution assuming a single constant velocity dispersion for all bodies regardless of size. We relax this assumption and solve self-consistently for the bodies' steady-state size and size-dependent velocity distributions. Specifically, we account for viscous stirring, dynamical friction, and collisional damping of the bodies' random velocities in addition to the mass conservation requirement typically applied to find the size distribution in a steady-state cascade. The resulting size distributions are significantly steeper than those derived without velocity evolution. For example, accounting self-consistently for the velocities can change the standard q = 3.5 power-law index of the Dohnanyi differential size spectrum to an index as large as q = 4. Similarly, for bodies held together by their own gravity, the corresponding power-law index range 2.88 < q < 3.14 of Pan & Sari (2005) can steepen to values as large as q = 3.26. These differences in the size distribution power law index are very important when estimating the total disk mass, including larger bodies, by extrapolating from the observed dust masses. Our velocity results allow quantitative predictions of the bodies' scale heights as a function of size. Together with our predictions, observations of the scale heights for different-sized bodies in, for example, extrasolar debris disks may constrain the total mass in large bodies stirring the cascade as well as the colliding bodies

  18. Intra Nucleon Cascade Program

    Energy Science and Technology Software Center (ESTSC)

    1998-08-18

    The package consists of three programs ISABEL, EVA, and PACE-2. ISABEL and PACE-2 are part of the LAHET code. ISABEL is an intra-nucleon cascade program. The output cascades are used as directly as input files to the two evaporation programs EVA and PACE-2. EVA ignores the effect of the angular momentum of the excited nuclei on the deexcitation and also ignores the possibility of gamma emission as long as particle emission is energetically allowed. PACE-2more » takes full account of angular momentum effects including irast levels and gamma emission at all stages of the evaporation chain.« less

  19. Understanding the Oxygen Vacancy in Tungsten Trioxide

    NASA Astrophysics Data System (ADS)

    Wang, Wennie; Janotti, Anderson; van de Walle, Chris G.

    2015-03-01

    Tungsten trioxide (WO3) has a variety of applications in gas sensors, photocatalysis, and smart windows. As an electrochromic BO3 perovskite, WO3 turns from transparent to blue upon doping. This color change is correlated with a drop in transmittance of near-IR radiation, and is used in smart windows for energy efficiency. In addition to monovalent species doping that modulates optical properties, oxygen deficiencies have been found to have a similar electrochromic effect. The influence of oxygen vacancies on electronic structure and how it corresponds to electrochromic behavior remains a topic of debate. In this work, we examine the oxygen vacancy in monoclinic WO3 and its influence on electronic structure using density functional theory with a hybrid functional. We investigate the relative stability of different charge states and its implications for electrical properties, such as conductivity and electrochromism. We find oxygen vacancies to be shallow donors, and explore similarities and differences with monovalent species doping. Finally, we compare our theoretical findings with experiment to elucidate how vacancies may contribute to electrochromic behavior. This work is supported by DOE and NSF.

  20. 7 CFR 966.30 - Vacancies.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 7 Agriculture 8 2010-01-01 2010-01-01 false Vacancies. 966.30 Section 966.30 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Marketing Agreements and Orders; Fruits, Vegetables, Nuts), DEPARTMENT OF AGRICULTURE TOMATOES GROWN IN FLORIDA...

  1. Principal Vacancies and Appointments 2009-10

    ERIC Educational Resources Information Center

    Robertson, Sally

    2011-01-01

    School leadership in New Zealand has gained more attention in recent years. The New Zealand Council for Educational Research (NZCER) began collecting data on all principal advertisements in the "Education Gazette" in late 2007. This brief report analyses principal vacancies advertised in the "Education Gazette" in 2009 and 2010. It also analyses…

  2. 24 CFR 990.150 - Limited vacancies.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 24 Housing and Urban Development 4 2012-04-01 2012-04-01 false Limited vacancies. 990.150 Section 990.150 Housing and Urban Development REGULATIONS RELATING TO HOUSING AND URBAN DEVELOPMENT (CONTINUED) OFFICE OF ASSISTANT SECRETARY FOR PUBLIC AND INDIAN HOUSING, DEPARTMENT OF HOUSING AND URBAN DEVELOPMENT THE PUBLIC HOUSING OPERATING FUND...

  3. 7 CFR 923.26 - Vacancies.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 7 Agriculture 8 2013-01-01 2013-01-01 false Vacancies. 923.26 Section 923.26 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (MARKETING AGREEMENTS AND ORDERS; FRUITS, VEGETABLES, NUTS), DEPARTMENT OF AGRICULTURE SWEET CHERRIES GROWN IN...

  4. 7 CFR 923.26 - Vacancies.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 7 Agriculture 8 2014-01-01 2014-01-01 false Vacancies. 923.26 Section 923.26 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (MARKETING AGREEMENTS AND ORDERS; FRUITS, VEGETABLES, NUTS), DEPARTMENT OF AGRICULTURE SWEET CHERRIES GROWN IN...

  5. 7 CFR 930.27 - Vacancies.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 7 Agriculture 8 2010-01-01 2010-01-01 false Vacancies. 930.27 Section 930.27 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Marketing Agreements and Orders; Fruits, Vegetables, Nuts), DEPARTMENT OF AGRICULTURE TART CHERRIES GROWN IN THE STATES...

  6. 7 CFR 923.26 - Vacancies.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 7 Agriculture 8 2010-01-01 2010-01-01 false Vacancies. 923.26 Section 923.26 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Marketing Agreements and Orders; Fruits, Vegetables, Nuts), DEPARTMENT OF AGRICULTURE SWEET CHERRIES GROWN IN...

  7. 7 CFR 930.27 - Vacancies.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 7 Agriculture 8 2014-01-01 2014-01-01 false Vacancies. 930.27 Section 930.27 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (MARKETING AGREEMENTS AND ORDERS; FRUITS, VEGETABLES, NUTS), DEPARTMENT OF AGRICULTURE TART CHERRIES GROWN IN THE STATES...

  8. 7 CFR 923.26 - Vacancies.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 7 Agriculture 8 2011-01-01 2011-01-01 false Vacancies. 923.26 Section 923.26 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Marketing Agreements and Orders; Fruits, Vegetables, Nuts), DEPARTMENT OF AGRICULTURE SWEET CHERRIES GROWN IN...

  9. 7 CFR 985.26 - Vacancies.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 7 Agriculture 8 2013-01-01 2013-01-01 false Vacancies. 985.26 Section 985.26 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (MARKETING AGREEMENTS AND ORDERS; FRUITS, VEGETABLES, NUTS), DEPARTMENT OF AGRICULTURE MARKETING ORDER REGULATING THE HANDLING OF SPEARMINT OIL PRODUCED IN THE FAR...

  10. Unemployment, Vacancies and Local Labor Markets.

    ERIC Educational Resources Information Center

    Holzer, Harry J.

    This monograph studies unemployment in relation to labor market vacancies throughout the United States, using a new set of data: the Survey of Firms from the Employment Opportunity Pilot Project, a labor market experiment conducted by the Department of Labor at 28 sites in 1979 and 1980. The monograph is organized in five chapters. The first…

  11. 7 CFR 920.26 - Vacancies.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 7 Agriculture 8 2014-01-01 2014-01-01 false Vacancies. 920.26 Section 920.26 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (MARKETING AGREEMENTS AND ORDERS; FRUITS, VEGETABLES, NUTS), DEPARTMENT OF AGRICULTURE KIWIFRUIT GROWN IN...

  12. 7 CFR 920.26 - Vacancies.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 7 Agriculture 8 2013-01-01 2013-01-01 false Vacancies. 920.26 Section 920.26 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (MARKETING AGREEMENTS AND ORDERS; FRUITS, VEGETABLES, NUTS), DEPARTMENT OF AGRICULTURE KIWIFRUIT GROWN IN...

  13. 7 CFR 920.26 - Vacancies.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 7 Agriculture 8 2011-01-01 2011-01-01 false Vacancies. 920.26 Section 920.26 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Marketing Agreements and Orders; Fruits, Vegetables, Nuts), DEPARTMENT OF AGRICULTURE KIWIFRUIT GROWN IN...

  14. 7 CFR 920.26 - Vacancies.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 7 Agriculture 8 2012-01-01 2012-01-01 false Vacancies. 920.26 Section 920.26 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Marketing Agreements and Orders; Fruits, Vegetables, Nuts), DEPARTMENT OF AGRICULTURE KIWIFRUIT GROWN IN...

  15. 7 CFR 920.26 - Vacancies.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 7 Agriculture 8 2010-01-01 2010-01-01 false Vacancies. 920.26 Section 920.26 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Marketing Agreements and Orders; Fruits, Vegetables, Nuts), DEPARTMENT OF AGRICULTURE KIWIFRUIT GROWN IN...

  16. 7 CFR 925.26 - Vacancies.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 7 Agriculture 8 2014-01-01 2014-01-01 false Vacancies. 925.26 Section 925.26 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (MARKETING AGREEMENTS AND ORDERS; FRUITS, VEGETABLES, NUTS), DEPARTMENT OF AGRICULTURE GRAPES GROWN IN A DESIGNATED AREA...

  17. 7 CFR 989.34 - Vacancies.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 7 Agriculture 8 2010-01-01 2010-01-01 false Vacancies. 989.34 Section 989.34 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Marketing Agreements and Orders; Fruits, Vegetables, Nuts), DEPARTMENT OF AGRICULTURE RAISINS PRODUCED FROM GRAPES GROWN...

  18. 7 CFR 925.26 - Vacancies.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 7 Agriculture 8 2013-01-01 2013-01-01 false Vacancies. 925.26 Section 925.26 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (MARKETING AGREEMENTS AND ORDERS; FRUITS, VEGETABLES, NUTS), DEPARTMENT OF AGRICULTURE GRAPES GROWN IN A DESIGNATED AREA...

  19. 7 CFR 925.26 - Vacancies.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 7 Agriculture 8 2010-01-01 2010-01-01 false Vacancies. 925.26 Section 925.26 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Marketing Agreements and Orders; Fruits, Vegetables, Nuts), DEPARTMENT OF AGRICULTURE GRAPES GROWN IN A DESIGNATED AREA...

  20. 7 CFR 989.34 - Vacancies.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 7 Agriculture 8 2014-01-01 2014-01-01 false Vacancies. 989.34 Section 989.34 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (MARKETING AGREEMENTS AND ORDERS; FRUITS, VEGETABLES, NUTS), DEPARTMENT OF AGRICULTURE RAISINS PRODUCED FROM GRAPES GROWN...

  1. 7 CFR 925.26 - Vacancies.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 7 Agriculture 8 2011-01-01 2011-01-01 false Vacancies. 925.26 Section 925.26 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Marketing Agreements and Orders; Fruits, Vegetables, Nuts), DEPARTMENT OF AGRICULTURE GRAPES GROWN IN A DESIGNATED AREA...

  2. 7 CFR 925.26 - Vacancies.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 7 Agriculture 8 2012-01-01 2012-01-01 false Vacancies. 925.26 Section 925.26 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Marketing Agreements and Orders; Fruits, Vegetables, Nuts), DEPARTMENT OF AGRICULTURE GRAPES GROWN IN A DESIGNATED AREA...

  3. 7 CFR 930.27 - Vacancies.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 7 Agriculture 8 2012-01-01 2012-01-01 false Vacancies. 930.27 Section 930.27 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Marketing Agreements and Orders; Fruits, Vegetables, Nuts), DEPARTMENT OF AGRICULTURE TART CHERRIES GROWN IN THE STATES...

  4. 7 CFR 923.26 - Vacancies.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 7 Agriculture 8 2012-01-01 2012-01-01 false Vacancies. 923.26 Section 923.26 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Marketing Agreements and Orders; Fruits, Vegetables, Nuts), DEPARTMENT OF AGRICULTURE SWEET CHERRIES GROWN IN...

  5. 7 CFR 915.26 - Vacancies.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 7 Agriculture 8 2012-01-01 2012-01-01 false Vacancies. 915.26 Section 915.26 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Marketing Agreements and Orders; Fruits, Vegetables, Nuts), DEPARTMENT OF AGRICULTURE AVOCADOS GROWN IN SOUTH FLORIDA...

  6. 7 CFR 915.26 - Vacancies.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 7 Agriculture 8 2013-01-01 2013-01-01 false Vacancies. 915.26 Section 915.26 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (MARKETING AGREEMENTS AND ORDERS; FRUITS, VEGETABLES, NUTS), DEPARTMENT OF AGRICULTURE AVOCADOS GROWN IN SOUTH FLORIDA...

  7. 7 CFR 915.26 - Vacancies.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 7 Agriculture 8 2010-01-01 2010-01-01 false Vacancies. 915.26 Section 915.26 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Marketing Agreements and Orders; Fruits, Vegetables, Nuts), DEPARTMENT OF AGRICULTURE AVOCADOS GROWN IN SOUTH FLORIDA...

  8. 7 CFR 985.26 - Vacancies.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 7 Agriculture 8 2012-01-01 2012-01-01 false Vacancies. 985.26 Section 985.26 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Marketing Agreements and Orders; Fruits, Vegetables, Nuts), DEPARTMENT OF AGRICULTURE MARKETING ORDER REGULATING THE HANDLING OF SPEARMINT OIL PRODUCED IN THE FAR...

  9. 7 CFR 985.26 - Vacancies.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 7 Agriculture 8 2014-01-01 2014-01-01 false Vacancies. 985.26 Section 985.26 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (MARKETING AGREEMENTS AND ORDERS; FRUITS, VEGETABLES, NUTS), DEPARTMENT OF AGRICULTURE MARKETING ORDER REGULATING THE HANDLING OF SPEARMINT OIL PRODUCED IN THE FAR...

  10. 7 CFR 956.26 - Vacancies.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 7 Agriculture 8 2010-01-01 2010-01-01 false Vacancies. 956.26 Section 956.26 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Marketing Agreements and Orders; Fruits, Vegetables, Nuts), DEPARTMENT OF AGRICULTURE SWEET ONIONS GROWN IN THE WALLA...

  11. 7 CFR 955.26 - Vacancies.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 7 Agriculture 8 2014-01-01 2014-01-01 false Vacancies. 955.26 Section 955.26 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (MARKETING AGREEMENTS AND ORDERS; FRUITS, VEGETABLES, NUTS), DEPARTMENT OF AGRICULTURE VIDALIA ONIONS GROWN IN...

  12. 7 CFR 956.26 - Vacancies.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 7 Agriculture 8 2014-01-01 2014-01-01 false Vacancies. 956.26 Section 956.26 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (MARKETING AGREEMENTS AND ORDERS; FRUITS, VEGETABLES, NUTS), DEPARTMENT OF AGRICULTURE SWEET ONIONS GROWN IN THE WALLA...

  13. 7 CFR 955.26 - Vacancies.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 7 Agriculture 8 2010-01-01 2010-01-01 false Vacancies. 955.26 Section 955.26 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Marketing Agreements and Orders; Fruits, Vegetables, Nuts), DEPARTMENT OF AGRICULTURE VIDALIA ONIONS GROWN IN...

  14. 45 CFR 1176.7 - Publicizing vacancies.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 45 Public Welfare 3 2014-10-01 2014-10-01 false Publicizing vacancies. 1176.7 Section 1176.7 Public Welfare Regulations Relating to Public Welfare (Continued) NATIONAL FOUNDATION ON THE ARTS AND THE HUMANITIES NATIONAL ENDOWMENT FOR THE HUMANITIES PART-TIME CAREER EMPLOYMENT § 1176.7 Publicizing...

  15. 45 CFR 1176.7 - Publicizing vacancies.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 45 Public Welfare 3 2011-10-01 2011-10-01 false Publicizing vacancies. 1176.7 Section 1176.7 Public Welfare Regulations Relating to Public Welfare (Continued) NATIONAL FOUNDATION ON THE ARTS AND THE HUMANITIES NATIONAL ENDOWMENT FOR THE HUMANITIES PART-TIME CAREER EMPLOYMENT § 1176.7 Publicizing...

  16. 45 CFR 1176.7 - Publicizing vacancies.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 45 Public Welfare 3 2012-10-01 2012-10-01 false Publicizing vacancies. 1176.7 Section 1176.7 Public Welfare Regulations Relating to Public Welfare (Continued) NATIONAL FOUNDATION ON THE ARTS AND THE HUMANITIES NATIONAL ENDOWMENT FOR THE HUMANITIES PART-TIME CAREER EMPLOYMENT § 1176.7 Publicizing...

  17. 45 CFR 1176.7 - Publicizing vacancies.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 45 Public Welfare 3 2010-10-01 2010-10-01 false Publicizing vacancies. 1176.7 Section 1176.7 Public Welfare Regulations Relating to Public Welfare (Continued) NATIONAL FOUNDATION ON THE ARTS AND THE HUMANITIES NATIONAL ENDOWMENT FOR THE HUMANITIES PART-TIME CAREER EMPLOYMENT § 1176.7 Publicizing...

  18. 45 CFR 1176.7 - Publicizing vacancies.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 45 Public Welfare 3 2013-10-01 2013-10-01 false Publicizing vacancies. 1176.7 Section 1176.7 Public Welfare Regulations Relating to Public Welfare (Continued) NATIONAL FOUNDATION ON THE ARTS AND THE HUMANITIES NATIONAL ENDOWMENT FOR THE HUMANITIES PART-TIME CAREER EMPLOYMENT § 1176.7 Publicizing...

  19. 7 CFR 984.41 - Vacancy.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 7 Agriculture 8 2010-01-01 2010-01-01 false Vacancy. 984.41 Section 984.41 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Marketing Agreements and Orders; Fruits, Vegetables, Nuts), DEPARTMENT OF AGRICULTURE WALNUTS GROWN IN CALIFORNIA Order...

  20. 7 CFR 984.41 - Vacancy.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 7 Agriculture 8 2014-01-01 2014-01-01 false Vacancy. 984.41 Section 984.41 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (MARKETING AGREEMENTS AND ORDERS; FRUITS, VEGETABLES, NUTS), DEPARTMENT OF AGRICULTURE WALNUTS GROWN IN CALIFORNIA Order...

  1. 7 CFR 984.41 - Vacancy.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 7 Agriculture 8 2011-01-01 2011-01-01 false Vacancy. 984.41 Section 984.41 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Marketing Agreements and Orders; Fruits, Vegetables, Nuts), DEPARTMENT OF AGRICULTURE WALNUTS GROWN IN CALIFORNIA Order...

  2. 7 CFR 984.41 - Vacancy.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 7 Agriculture 8 2013-01-01 2013-01-01 false Vacancy. 984.41 Section 984.41 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (MARKETING AGREEMENTS AND ORDERS; FRUITS, VEGETABLES, NUTS), DEPARTMENT OF AGRICULTURE WALNUTS GROWN IN CALIFORNIA Order...

  3. 7 CFR 984.41 - Vacancy.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 7 Agriculture 8 2012-01-01 2012-01-01 false Vacancy. 984.41 Section 984.41 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Marketing Agreements and Orders; Fruits, Vegetables, Nuts), DEPARTMENT OF AGRICULTURE WALNUTS GROWN IN CALIFORNIA Order...

  4. 7 CFR 955.26 - Vacancies.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 7 Agriculture 8 2012-01-01 2012-01-01 false Vacancies. 955.26 Section 955.26 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Marketing Agreements and Orders; Fruits, Vegetables, Nuts), DEPARTMENT OF AGRICULTURE VIDALIA ONIONS GROWN IN...

  5. 7 CFR 956.26 - Vacancies.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 7 Agriculture 8 2012-01-01 2012-01-01 false Vacancies. 956.26 Section 956.26 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Marketing Agreements and Orders; Fruits, Vegetables, Nuts), DEPARTMENT OF AGRICULTURE SWEET ONIONS GROWN IN THE WALLA...

  6. 7 CFR 955.26 - Vacancies.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 7 Agriculture 8 2013-01-01 2013-01-01 false Vacancies. 955.26 Section 955.26 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (MARKETING AGREEMENTS AND ORDERS; FRUITS, VEGETABLES, NUTS), DEPARTMENT OF AGRICULTURE VIDALIA ONIONS GROWN IN...

  7. 7 CFR 955.26 - Vacancies.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 7 Agriculture 8 2011-01-01 2011-01-01 false Vacancies. 955.26 Section 955.26 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Marketing Agreements and Orders; Fruits, Vegetables, Nuts), DEPARTMENT OF AGRICULTURE VIDALIA ONIONS GROWN IN...

  8. 7 CFR 956.26 - Vacancies.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 7 Agriculture 8 2013-01-01 2013-01-01 false Vacancies. 956.26 Section 956.26 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (MARKETING AGREEMENTS AND ORDERS; FRUITS, VEGETABLES, NUTS), DEPARTMENT OF AGRICULTURE SWEET ONIONS GROWN IN THE WALLA...

  9. 7 CFR 956.26 - Vacancies.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 7 Agriculture 8 2011-01-01 2011-01-01 false Vacancies. 956.26 Section 956.26 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Marketing Agreements and Orders; Fruits, Vegetables, Nuts), DEPARTMENT OF AGRICULTURE SWEET ONIONS GROWN IN THE WALLA...

  10. 7 CFR 929.26 - Vacancies.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 7 Agriculture 8 2011-01-01 2011-01-01 false Vacancies. 929.26 Section 929.26 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Marketing Agreements and Orders; Fruits, Vegetables, Nuts), DEPARTMENT OF AGRICULTURE CRANBERRIES GROWN IN STATES...

  11. 7 CFR 929.26 - Vacancies.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 7 Agriculture 8 2012-01-01 2012-01-01 false Vacancies. 929.26 Section 929.26 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Marketing Agreements and Orders; Fruits, Vegetables, Nuts), DEPARTMENT OF AGRICULTURE CRANBERRIES GROWN IN STATES...

  12. 7 CFR 929.26 - Vacancies.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 7 Agriculture 8 2010-01-01 2010-01-01 false Vacancies. 929.26 Section 929.26 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Marketing Agreements and Orders; Fruits, Vegetables, Nuts), DEPARTMENT OF AGRICULTURE CRANBERRIES GROWN IN STATES...

  13. 7 CFR 929.26 - Vacancies.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 7 Agriculture 8 2014-01-01 2014-01-01 false Vacancies. 929.26 Section 929.26 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (MARKETING AGREEMENTS AND ORDERS; FRUITS, VEGETABLES, NUTS), DEPARTMENT OF AGRICULTURE CRANBERRIES GROWN IN STATES...

  14. 7 CFR 929.26 - Vacancies.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 7 Agriculture 8 2013-01-01 2013-01-01 false Vacancies. 929.26 Section 929.26 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (MARKETING AGREEMENTS AND ORDERS; FRUITS, VEGETABLES, NUTS), DEPARTMENT OF AGRICULTURE CRANBERRIES GROWN IN STATES...

  15. 7 CFR 922.26 - Vacancies.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 7 Agriculture 8 2014-01-01 2014-01-01 false Vacancies. 922.26 Section 922.26 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (MARKETING AGREEMENTS AND ORDERS; FRUITS, VEGETABLES, NUTS), DEPARTMENT OF AGRICULTURE APRICOTS GROWN IN DESIGNATED...

  16. 7 CFR 922.26 - Vacancies.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 7 Agriculture 8 2013-01-01 2013-01-01 false Vacancies. 922.26 Section 922.26 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (MARKETING AGREEMENTS AND ORDERS; FRUITS, VEGETABLES, NUTS), DEPARTMENT OF AGRICULTURE APRICOTS GROWN IN DESIGNATED...

  17. 7 CFR 922.26 - Vacancies.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 7 Agriculture 8 2012-01-01 2012-01-01 false Vacancies. 922.26 Section 922.26 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Marketing Agreements and Orders; Fruits, Vegetables, Nuts), DEPARTMENT OF AGRICULTURE APRICOTS GROWN IN DESIGNATED...

  18. 7 CFR 922.26 - Vacancies.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 7 Agriculture 8 2011-01-01 2011-01-01 false Vacancies. 922.26 Section 922.26 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Marketing Agreements and Orders; Fruits, Vegetables, Nuts), DEPARTMENT OF AGRICULTURE APRICOTS GROWN IN DESIGNATED...

  19. 7 CFR 922.26 - Vacancies.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 7 Agriculture 8 2010-01-01 2010-01-01 false Vacancies. 922.26 Section 922.26 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Marketing Agreements and Orders; Fruits, Vegetables, Nuts), DEPARTMENT OF AGRICULTURE APRICOTS GROWN IN DESIGNATED...

  20. Dangling bonds and vacancies in germanium

    NASA Astrophysics Data System (ADS)

    Weber, J. R.; Janotti, A.; Van de Walle, C. G.

    2013-01-01

    The quest for metal-oxide-semiconductor field-effect transistors (MOSFETs) with higher carrier mobility has triggered great interest in germanium-based MOSFETs. Still, the performance of germanium-based devices lags significantly behind that of their silicon counterparts, possibly due to the presence of defects such as dangling bonds (DBs) and vacancies. Using screened hybrid functional calculations we investigate the role of DBs and vacancies in germanium. We find that the DB defect in germanium has no levels in the band gap; it acts as a negatively charged acceptor with the (0/-1) transition level below the valence-band maximum (VBM). This explains the absence of electron-spin-resonance observations of DBs in germanium. The vacancy in germanium has a much lower formation energy than the vacancy in silicon and is stable in a number of charge states, depending on the position of the Fermi level. We find the (0/-1) and (-1/-2) transition levels at 0.16 and 0.38 eV above the VBM; the spacing of these levels is explained based on the strength of intraorbital repulsion. We compare these results with calculations for silicon, as well as with available experimental data.

  1. 7 CFR 1208.43 - Vacancies.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... AND ORDERS; MISCELLANEOUS COMMODITIES), DEPARTMENT OF AGRICULTURE PROCESSED RASPBERRY PROMOTION, RESEARCH, AND INFORMATION ORDER Processed Raspberry Promotion, Research, and Information Order National Processed Raspberry Council § 1208.43 Vacancies. (a) In the event that any member of the Council ceases...

  2. 7 CFR 1208.43 - Vacancies.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... AND ORDERS; MISCELLANEOUS COMMODITIES), DEPARTMENT OF AGRICULTURE PROCESSED RASPBERRY PROMOTION, RESEARCH, AND INFORMATION ORDER Processed Raspberry Promotion, Research, and Information Order National Processed Raspberry Council § 1208.43 Vacancies. (a) In the event that any member of the Council ceases...

  3. 'Cascade Gold' raspberry

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Cascade Gold’ is a new gold fruited, floricane fruiting raspberry cultivar (Rubus idaeus L.) jointly released by Washington State University (WSU), Oregon State University (OSU) and the U.S. Department of Agriculture (USDA). It has been evaluated at Puyallup, Wash. in plantings from 1988 to 2008. ...

  4. Howling about Trophic Cascades

    ERIC Educational Resources Information Center

    Kowalewski, David

    2012-01-01

    Following evolutionary theory and an agriculture model, ecosystem research has stressed bottom-up dynamics, implying that top wild predators are epiphenomenal effects of more basic causes. As such, they are assumed expendable. A more modern co-evolutionary and wilderness approach--trophic cascades--instead suggests that top predators, whose…

  5. Cascaded thermoacoustic devices

    DOEpatents

    Swift, Gregory W.; Backhaus, Scott N.; Gardner, David L.

    2003-12-09

    A thermoacoustic device is formed with a resonator system defining at least one region of high specific acoustic impedance in an acoustic wave within the resonator system. A plurality of thermoacoustic units are cascaded together within the region of high specific acoustic impedance, where at least one of the thermoacoustic units is a regenerator unit.

  6. On the interaction between perfect interstitial clusters and a vacancy in BCC, FCC and HCP metals

    SciTech Connect

    Puigvi, Mary Angels; Serra, Anna; de Diego, Nieves; Osetskiy, Yury N; Bacon, David J

    2004-01-01

    Point defects and defect clusters have been observed in metals irradiated by high-energy particles. Interactions of these defects between themselves and with existing microstructure features cause microstructure evolution and lead to changes in mechanical and physical properties of the irradiated materials. Models for prediction of radiation-induced changes should include details of reactions involving defects, and so in this paper we present the results of atomic-scale computer modelling of interactions between a cluster of self-interstitial atoms (SIAs) and a single vacancy in models of bcc, fcc and hcp metals. The vacancy is taken to lie on or within the glide prism of the cluster. This type of reaction is considered to be one of the most frequent because formation of SIA clusters, particularly glissile clusters, is commonly observed in high-energy displacement cascades in all metals. The interaction depends strongly on the dislocation nature of the cluster and therefore these interactions are different in the three crystal structures. Vacancy-SIA recombination, in particular, is inhibited by dissociation of the SIA loop on its glide prism.

  7. The effect of neutron irradiation dose on vacancy defect accumulation and annealing in pure nickel

    NASA Astrophysics Data System (ADS)

    Druzhkov, A. P.; Arbuzov, V. L.; Perminov, D. A.

    2012-02-01

    In order to investigate the dose dependence of vacancy defect evolution in nickel, specimens of high-purity Ni were neutron-irradiated at ˜330 K in the IVV-2M reactor (Russia) to fluencies in the range of 1 × 10 21-1 × 10 23 n/m 2 ( E > 0.1 MeV) corresponding to displacement dose levels in the range of about 0.0001-0.01 dpa and subsequently stepwise annealed to about 900 K. Ni was characterized both in as-irradiated state as well as after post-irradiation annealing by positron annihilation spectroscopy. The formation of three-dimensional vacancy clusters (3D-VCs) in cascades was observed under neutron irradiation, the concentration of 3D-VCs increases with increasing dose level. 3D-VCs collapse into secondary-type clusters (stacking fault tetrahedra (SFTs), and vacancy loops) during stepwise annealing at 350-450 K. It is shown that the thermal stability of SFTs grow with increasing dose level, probably, it is due to growth of the average SFT size during annealing. The results of annealing experiments on electron-irradiated Ni at 300 K are indicated in the paper, for comparison. We also have briefly discussed the positron response to the SFT-like structures.

  8. Integrated Broadband Quantum Cascade Laser

    NASA Technical Reports Server (NTRS)

    Mansour, Kamjou (Inventor); Soibel, Alexander (Inventor)

    2016-01-01

    A broadband, integrated quantum cascade laser is disclosed, comprising ridge waveguide quantum cascade lasers formed by applying standard semiconductor process techniques to a monolithic structure of alternating layers of claddings and active region layers. The resulting ridge waveguide quantum cascade lasers may be individually controlled by independent voltage potentials, resulting in control of the overall spectrum of the integrated quantum cascade laser source. Other embodiments are described and claimed.

  9. On the Origin of Large Interstitial Clusters in Displacement Cascades

    SciTech Connect

    Andrew, Calder F; Barashev, Aleksandr; Bacon, David J; Osetskiy, Yury N

    2010-01-01

    Displacement cascades with wide ranges of primary knock-on atom (PKA) energy and mass in iron were simulated using molecular dynamics. New visualisation techniques are introduced to show how the shock-front dynamics and internal structure of a cascade develop over time. These reveal that the nature of the final damage is determined early on in the cascade process. We define a zone (termed 'spaghetti') in which atoms are moved to new lattice sites and show how it is created by a supersonic shock-front expanding from the primary recoil event. A large cluster of self-interstitial atoms can form on the periphery of the spaghetti if a hypersonic recoil creates damage with a supersonic shock ahead of the main supersonic front. When the two fronts meet, the main one injects atoms into the low-density core of the other: these become interstitial atoms during the rapid recovery of the surrounding crystal. The hypersonic recoil occurs in less than 0.1 ps after the primary recoil and the interstitial cluster is formed before the onset of the thermal spike phase of the cascade process. The corresponding number of vacancies is then formed in the spaghetti core as the crystal cools, i.e. at times one to two orders of magnitude longer. By using the spaghetti zone to define cascade volume, the energy density of a cascade is shown to be almost independent of the PKA mass. This throws into doubt the conventional energy-density interpretation of an increased defect yield with increasing PKA mass in ion irradiation.

  10. On the origin of large interstitial clusters in displacement cascades

    NASA Astrophysics Data System (ADS)

    Calder, A. F.; Bacon, D. J.; Barashev, A. V.; Osetsky, Yu. N.

    2010-03-01

    Displacement cascades with wide ranges of primary knock-on atom (PKA) energy and mass in iron were simulated using molecular dynamics. New visualisation techniques are introduced to show how the shock-front dynamics and internal structure of a cascade develop over time. These reveal that the nature of the final damage is determined early on in the cascade process. We define a zone (termed 'spaghetti') in which atoms are moved to new lattice sites and show how it is created by a supersonic shock-front expanding from the primary recoil event. A large cluster of self-interstitial atoms can form on the periphery of the spaghetti if a hypersonic recoil creates damage with a supersonic shock ahead of the main supersonic front. When the two fronts meet, the main one injects atoms into the low-density core of the other: these become interstitial atoms during the rapid recovery of the surrounding crystal. The hypersonic recoil occurs in less than 0.1 ps after the primary recoil and the interstitial cluster is formed before the onset of the thermal spike phase of the cascade process. The corresponding number of vacancies is then formed in the spaghetti core as the crystal cools, i.e. at times one to two orders of magnitude longer. By using the spaghetti zone to define cascade volume, the energy density of a cascade is shown to be almost independent of the PKA mass. This throws into doubt the conventional energy-density interpretation of an increased defect yield with increasing PKA mass in ion irradiation.

  11. Cascaded humidified advanced turbine

    SciTech Connect

    Nakhamkin, M.; Swenson, E.C.; Cohn, A.; Bradshaw, D.; Taylor, R.; Wilson, J.M.; Gaul, G.; Jahnke, F.; Polsky, M.

    1995-05-01

    This article describes how, by combining the best features of simple- and combined-cycle gas turbine power plants, the CHAT cycle concept offers power producers a clean, more efficient and less expensive alternative to both. The patented cascaded advanced turbine and its cascaded humidified advanced turbine (CHAT) derivative offer utilities and other power producers a practical advanced gas turbine power plant by combining commercially-available gas turbine and industrial compressor technologies in a unique way. Compared to combined-cycle plants, a CHAT power plant has lower emissions and specific capital costs-approximately 20 percent lower than what is presently available. Further, CHAT`s operating characteristics are especially well-suited to load following quick start-up scenarios and they are less susceptible to power degradation from higher ambient air temperature conditions.

  12. Superconducting cascade electron refrigerator

    SciTech Connect

    Camarasa-Gómez, M.; Giazotto, F.; Di Marco, A.; Hekking, F. W. J.; Winkelmann, C. B.; Courtois, H.

    2014-05-12

    The design and operation of an electronic cooler based on a combination of superconducting tunnel junctions is described. The cascade extraction of hot-quasiparticles, which stems from the energy gaps of two different superconductors, allows for a normal metal to be cooled down to about 100 mK starting from a bath temperature of 0.5 K. We discuss the practical implementation, potential performance, and limitations of such a device.

  13. Information cascade on networks

    NASA Astrophysics Data System (ADS)

    Hisakado, Masato; Mori, Shintaro

    2016-05-01

    In this paper, we discuss a voting model by considering three different kinds of networks: a random graph, the Barabási-Albert (BA) model, and a fitness model. A voting model represents the way in which public perceptions are conveyed to voters. Our voting model is constructed by using two types of voters-herders and independents-and two candidates. Independents conduct voting based on their fundamental values; on the other hand, herders base their voting on the number of previous votes. Hence, herders vote for the majority candidates and obtain information relating to previous votes from their networks. We discuss the difference between the phases on which the networks depend. Two kinds of phase transitions, an information cascade transition and a super-normal transition, were identified. The first of these is a transition between a state in which most voters make the correct choices and a state in which most of them are wrong. The second is a transition of convergence speed. The information cascade transition prevails when herder effects are stronger than the super-normal transition. In the BA and fitness models, the critical point of the information cascade transition is the same as that of the random network model. However, the critical point of the super-normal transition disappears when these two models are used. In conclusion, the influence of networks is shown to only affect the convergence speed and not the information cascade transition. We are therefore able to conclude that the influence of hubs on voters' perceptions is limited.

  14. Superconducting cascade electron refrigerator

    NASA Astrophysics Data System (ADS)

    Camarasa-Gómez, M.; Di Marco, A.; Hekking, F. W. J.; Winkelmann, C. B.; Courtois, H.; Giazotto, F.

    2014-05-01

    The design and operation of an electronic cooler based on a combination of superconducting tunnel junctions is described. The cascade extraction of hot-quasiparticles, which stems from the energy gaps of two different superconductors, allows for a normal metal to be cooled down to about 100 mK starting from a bath temperature of 0.5 K. We discuss the practical implementation, potential performance, and limitations of such a device.

  15. Vacancy coalescence during oxidation of iron nanoparticles

    SciTech Connect

    Cabot, Andreu; Puntes, Victor F.; Shevchenko, Elena; Yin, Yadong; Balcells, Lluis; Markus, Matthew A.; Hughes, Steven M.; Alivisatos, A. Paul

    2007-06-14

    In the present work, we analyze the geometry and composition of the nanostructures obtained from the oxidation of iron nanoparticles. The initial oxidation of iron takes place by outward diffusion of cations through the growing oxide shell. This net material flow is balanced by an opposite flow of vacancies, which coalesce at the metal/oxide interface. Thus, the partial oxidation of colloidal iron nanoparticles leads to the formation of core-void-shell nanostructures. Furthermore, the complete oxidation of iron nanoparticles in the 3-8 nm size range leads to the formation of hollow iron oxide nanoparticles. We analyze the size and temperature range in which vacancy coalescence during oxidation of amine-stabilized iron nanoparticles takes place. Maghemite is the crystallographic structure obtained from the complete oxidation of iron nanoparticles under our synthetic conditions.

  16. Vacancy-induced flow of solid helium

    NASA Astrophysics Data System (ADS)

    Benedek, Giorgio; Kalinin, Anton; Nieto, Pablo; Toennies, J. Peter

    2016-03-01

    The pulsed flow of solid 4He through a narrow capillary in a flow system which issues into vacuum is investigated at temperatures between 1.64 and 2.66 K and pressures between 54 and 104 bars. After each pulse three different capillary flow regimes are observed as the upstream pressure decreases: an oscillatory [mini-geyser (MG)] regime, a constant flow (CF) regime with a linearly decreasing pressure difference, and a nonresistant (NR) regime. A quantitative analysis of the three regimes suggests that the flow of solid 4He is driven by a counterflow of excess vacancies, which are injected downstream of the capillary at the solid/liquid interface near the micrometric orifice exposed to vacuum. The CF regime, where the flow velocity is found to be independent of the pressure difference, and the NR regime, where the solid flows as a Bernoulli fluid, suggest a new dynamic phase of solid helium induced by a steady influx of vacancies.

  17. Vacancy Formation Enthalpy in Polycrystalline Depleted Uranium

    NASA Astrophysics Data System (ADS)

    Lund, K. R.; Lynn, K. G.; Weber, M. H.; Okuniewski, M. A.

    2013-06-01

    Positron Annihilation Spectroscopy was performed as a function of temperature and beam energy on polycrystalline depleted uranium (DU) foil. Samples were run with varying heat profiles all starting at room temperature. While collecting Doppler-Broadening data, the temperature of the sample was cycled several times. The first heat cycle shows an increasing S-parameter near temperatures of 400K to 500K much lower than the first phase transition of 941K indicating increasing vacancies possibly due to oxygen diffusion from the bulk to the surface. Vacancy formation enthalpies were calculated fitting a model to the data to be 1.6± 0.16 eV. Results are compared to previous work [3,4].

  18. Inner-shell excitation of acetylene by electron impact

    SciTech Connect

    Michelin, S.E.; Pessoa, O.; Oliveira, H.L.; Veiteinheimer, E.; Santos, A.M.S.; Fujimoto, M.M.; Iga, I.; Lee, M.-T.

    2005-08-15

    The distorted-wave approximation (DWA) is applied to study K-shell excitation in C{sub 2}H{sub 2} by electron impact. More specifically, calculated differential and integral cross sections for the X {sup 1}{sigma}{sub g}{sup +}{yields}{sup 1,3}{pi}{sub g}(1s{sigma}{sub g}{yields}1p{pi}{sub g}) and X {sup 1}{sigma}{sub g}{sup +}{yields}{sup 1,3}{pi}{sub u}(1s{sigma}{sub u}{yields}1p{pi}{sub g}) transitions in this target in the 300-800 eV incident energy range are reported. The triplet-to-singlet ratios of respective integral cross sections, namely, RI(3:1), calculated by dividing the integral cross sections for transitions leading to the triplet core-excited states by those leading to the corresponding singlet states, are also reported as a function of incident energies. In general, our calculated sums of the generalized oscillator strength for transitions leading to the {sup 1}{pi}{sub g} and {sup 1}{pi}{sub u} excited states are in good agreement with the available experimental data. On the other hand, the present calculated integral cross sections and the corresponding data for its isoelectronic species CO are significantly different. Possible physical origins for this difference are discussed.

  19. Inner-Shell Photodetachment of the Carbon Anions Chain

    NASA Astrophysics Data System (ADS)

    Bilodeau, Rene; Gibson, Dan; Walter, Wes; Dumitriu, Ileana; Aguilar, Alejandro; Macaluso, David; Berrah, Nora

    2015-05-01

    We have carried out inner-valence and K-shell photodetachment experiments at the Advanced Light Source (LBNL) in stable homonuclear anions Cn-(n = 2-12) produced with a SNICS ion source. These measurements will be used to determine absolute cross sections and characterize the mechanisms that lead to different decay patterns such as nuclear dynamics resulting from photodissociation. The data will be compared to our previous K-shell photoionization data of atomic C- which revealed a shape resonance near 285 eV, in good agreement with an R-matrix calculation. We will also present the branching ratios between the decay pathways as a function of cluster size to understand size dependent dynamical processes. This work is funded by the Department of Energy, Office of Science, Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences under grant N. DE-FG02-92ER14299.A002 and in part by the National Science Foundation under Grant No. 1404109.

  20. Inner-shell and double ionization potentials of aminophenol isomers.

    SciTech Connect

    Kryzhevoi, N. V.; Santra, R.; Cederbaum, L. S.

    2011-01-01

    A comprehensive study of single and double core ionization potentials of the aminophenol molecule is reported. The role of relaxation, correlation, relativistic, and basis set effects in these potentials is clarified. Special attention is paid to the isomer dependence of the single and double core ionization potentials. Some of them are also compared with the respective values of the phenol and aniline molecules. It is shown that the core level single ionization potentials of the para-, meta-, and ortho-aminophenol molecules differ only slightly from each other, rendering these structural isomers challenging to distinguish for conventional x-ray photoelectron spectroscopy. In contrast, the energy needed to remove two core electrons from different atoms depends noticeably on the mutual arrangement and even on the relative orientations of the hydroxyl and amine groups. Together with the electrostatic repulsion between the two core holes, relaxation effects accompanying double core ionization play a crucial role here. The pronounced sensitivity of the double ionization potentials, therefore, enables a spectroscopic characterization of the electronic structure of aminophenol isomers by means of x-ray two-photon photoelectron spectroscopy.

  1. Carbon-vacancy complexes as traps for self-interstitial clusters in Fe-C alloys

    NASA Astrophysics Data System (ADS)

    Anento, N.; Serra, A.

    2013-09-01

    Self-interstitial loops in irradiated Fe-C alloys are formed by the growth of small self-interstitial atom clusters created directly in cascades. For these clusters to grow up to visible sizes they should be stopped by traps otherwise they would disappear in sinks due to their high one dimensional mobility. The well-known affinity of carbon with vacancies in α-Fe leads to the formation of carbon-vacancy (C-V) complexes that are potential candidates as traps for SIA loops. Applying molecular static simulations we have studied the interaction between the most abundant C-V complexes and SIA clusters using a metallic covalent interatomic model for the Fe-C system. The complexes studied, {Cn-Vm}, are C-V, C-V2 and C2-V. The maximum binding energies obtained for the interaction with a 1/2 <1 1 1> 61SIA cluster are 0.75 eV for the C-V, 1.4 eV for the C-V2 and 1.5 eV for C2-V. Finally, additional MD simulations were used to check the stability of the traps at high temperature. C-V} complexes have higher binding energies than single C atoms and their interaction depends strongly on their position relative to the SIA cluster. The vacancies of the complexes only recombine with the interstitials when they are at the edge of the cluster. The C-V2 complex located in the central region of the cluster has a binding energy of 1.4 eV which results in a good trap for the cluster. In this case the efficiency of a di-vacancy to stop the movement of the cluster is enhanced by the C atom that contributes to the binding energy and inhibits the vacancies to migrate to the cluster edge. C2-V extends to high temperatures the effectiveness of C-V2 as a trap at low temperatures. For this complex the higher interaction occurs at the periphery of the cluster when the vacancy recombination leaves two C atoms strongly tight with a binding energy up to 1.5 eV. Both linear and adjacent configurations are stable and should coexist. Since their binding energies with the cluster are comparable, the

  2. On the mobility of vacancy clusters in reduced activation steels: an atomistic study in the Fe-Cr-W model alloy.

    PubMed

    Bonny, G; Castin, N; Bullens, J; Bakaev, A; Klaver, T C P; Terentyev, D

    2013-08-01

    Reduced activation steels are considered as structural materials for future fusion reactors. Besides iron and the main alloying element chromium, these steels contain other minor alloying elements, typically tungsten, vanadium and tantalum. In this work we study the impact of chromium and tungsten, being major alloying elements of ferritic Fe-Cr-W-based steels, on the stability and mobility of vacancy defects, typically formed under irradiation in collision cascades. For this purpose, we perform ab initio calculations, develop a many-body interatomic potential (EAM formalism) for large-scale calculations, validate the potential and apply it using an atomistic kinetic Monte Carlo method to characterize the lifetime and diffusivity of vacancy clusters. To distinguish the role of Cr and W we perform atomistic kinetic Monte Carlo simulations in Fe-Cr, Fe-W and Fe-Cr-W alloys. Within the limitation of transferability of the potentials it is found that both Cr and W enhance the diffusivity of vacancy clusters, while only W strongly reduces their lifetime. The cluster lifetime reduction increases with W concentration and saturates at about 1-2 at.%. The obtained results imply that W acts as an efficient 'breaker' of small migrating vacancy clusters and therefore the short-term annealing process of cascade debris is modified by the presence of W, even in small concentrations. PMID:23838265

  3. Molecular Dynamics Simulation of Cascade-Induced Ballistic Helium Resolutioning from Bubbles in Iron

    SciTech Connect

    Stoller, Roger E

    2013-01-01

    Molecular dynamics simulations have been used to assess the ability of atomic displacement cascades to eject helium from small bubbles in iron. This study of the ballistic resolutioning mechanism employed a recently-developed Fe-He interatomic potential in concert with an iron potential developed by Ackland and co-workers. The primary variables examined were: irradiation temperature (100 and 600K), cascade energy (5 and 20 keV), bubble radius (0.5 and 1.0 nm), and He-to-vacancy ratio in the bubble (0.25, 0.5 and 1.0). Systematic trends were observed for each of these variables. For example, ballistic resolutioning leads to a greater number of helium atoms being displaced from larger bubbles and from bubbles that have a higher He/vacancy ratio (bubble pressure). He resolutioning was reduced at 600K relative to 100K, and for 20 keV cascades relative to 5 keV cascades. Overall, the results indicate a modest level of He removal by ballistic resolutioning. The results can be used to provide guidance in selection of a resolution parameter that can be employed in cluster dynamics models to predict the bubble size distribution that evolves under irradiation.

  4. The Ufm1 Cascade

    PubMed Central

    Daniel, Jens; Liebau, Eva

    2014-01-01

    The ubiquitin-fold modifier 1 (Ufm1) is a posttranslational modifier that belongs to the ubiquitin-like protein (UBL) family. Ufm1 is present in nearly all eukaryotic organisms, with the exception of fungi. It resembles ubiquitin in its ability to be ligated to other proteins, as well as in the mechanism of ligation. While the Ufm1 cascade has been implicated in endoplasmic reticulum functions and cell cycle control, its biological role still remains poorly understood. In this short review, we summarize the current state of Ufm1 research and its potential role in human diseases, like diabetes, ischemic heart disease and cancer. PMID:24921187

  5. Ab initio studies of isolated hydrogen vacancies in graphane

    NASA Astrophysics Data System (ADS)

    Mapasha, R. E.; Molepo, M. P.; Chetty, N.

    2016-05-01

    We present a density functional study of various hydrogen vacancies located on a single hexagonal ring of graphane (fully hydrogenated graphene) considering the effects of charge states and the position of the Fermi level. We find that uncharged vacancies that lead to a carbon sublattice balance are energetically favorable and are wide band gap systems just like pristine graphane. Vacancies that do create a sublattice imbalance introduce spin polarized states into the band gap, and exhibit a half-metallic behavior with a magnetic moment of 1.00 μB per vacancy. The results show the possibility of using vacancies in graphane for novel spin-based applications. When charging such vacancy configurations, the deep donor (+1/0) and deep acceptor (0/-1) transition levels within the band gap are noted. We also note a half-metallic to metallic transition and a significant reduction of the induced magnetic moment due to both negative and positive charge doping.

  6. Vacancy ordering in reduced barium titanate

    NASA Astrophysics Data System (ADS)

    Woodward, David I.; Reaney, Ian M.; Yang, Gaiying Y.; Dickey, Elizabeth C.; Randall, Clive A.

    2004-06-01

    A crystal structure is proposed for reduced barium titanate, BaTiO3-δ, δ≈0.33, formed during the degradation of Ni-BaTiO3 X7R multilayer ceramic capacitors. High-resolution transmission electron microscopy and selected-area electron diffraction have been used in combination with computer simulations to show that oxygen vacancies accrete on every third pseudocubic {111} plane, resulting in a cell with space group P3m1. Additionally, from electron energy loss spectroscopy, it is proposed that Ti4+ is reduced to Ti3+ as a mechanism of charge compensation within oxygen-deficient octahedra.

  7. Nanoscale Sensing with Nitrogen Vacancy Centers

    NASA Astrophysics Data System (ADS)

    Urbach, Elana; Lovchinsky, Igor; Sushkov, Alex; Park, Hongkun; Lukin, Mikhail

    2015-05-01

    In the last several decades Magnetic resonance imaging (MRI) has emerged as a powerful tool in science and technology. Conventional MRI technology, however, relies on measuring magnetic fields from a large (macroscopic) number of molecules, for example tissues in specific areas of the brain. Extending these techniques to the nanoscale could enable revolutionary advances in the physical, biological and medical sciences. Here we report on recent progress in using Nitrogen-Vacancy (NV) centers in diamond to detect small numbers of nuclear spins in biological molecules. In particular, we have demonstrated detection of single proteins attached to the diamond surface.

  8. Effects of oxygen vacancies on polarization stability of barium titanate

    NASA Astrophysics Data System (ADS)

    Wang, Jun; Shen, YaoGen; Song, Fan; Ke, FuJiu; Bai, YiLong; Lu, ChunSheng

    2016-03-01

    Oxygen vacancy, a kind of native point defects in ferroelectric ceramics, usually causes an increase of the dielectric loss. Based on experimental observations, it is believed that all of the oxygen vacancies are an unfavorable factor for energy saving. By using molecular dynamics simulations, we show that the increase of coercive and saturated electric fields is due to the difficulty to switch local polarization near an oxygen vacancy, and so that a ferroelectric device has to sustain the rising consumption of energy. The simulation results also uncover how oxygen vacancies influence ferroelectric properties.

  9. Cascade Error Projection Learning Algorithm

    NASA Technical Reports Server (NTRS)

    Duong, T. A.; Stubberud, A. R.; Daud, T.

    1995-01-01

    A detailed mathematical analysis is presented for a new learning algorithm termed cascade error projection (CEP) and a general learning frame work. This frame work can be used to obtain the cascade correlation learning algorithm by choosing a particular set of parameters.

  10. Thermal vacancy formation and positron-vacancy interaction in Ti3Al at high temperatures

    NASA Astrophysics Data System (ADS)

    Würschum, R.; Kümmerle, E. A.; Badura-Gergen, K.; Seeger, A.; Herzig, Ch.; Schaefer, H.-E.

    1996-07-01

    In order to study the formation of thermal vacancies in the Ti-Al alloy system, high-temperature positron lifetime measurements together with a modeling of defect formation in the framework of nearest-neighbor pair bonds were performed for α2Ti3Al and compared to recent results on γTiAl [U. Brossmann, R. Würschum, K. Badura, and H.-E. Schaefer, Phys. Rev. B 49, 6457 (1994)]. Substantial increases of the positron lifetime τ were observed for Ti65.6Al34.4 and Ti77.1Al22.9 in the temperature range T≳1200 K where thermal vacancy concentrations above the detection limit of positron annihilation are expected from the model calculations for the α2 phase. Within the high-temperature increase of the positron lifetime in the α2 and the β phase single-component positron lifetime spectra were observed. This behavior is in contrast to the two-component spectra observed conventionally at intermediate positron trapping rates and is attributed to a fast detrapping and retrapping of positrons at vacancies due to a low positron-vacancy binding energy. For this case, a vacancy formation enthalpy of HFV=(1.55±0.2) eV in α2Ti65.6Al34.4 and HFV=(1.8±0.2) eV in βTi77.1Al22.9 can be derived. These results are discussed in the context of recent 44Ti tracer diffusion studies.

  11. Cascade physics at CLAS12

    SciTech Connect

    Guo, Lei

    2009-01-01

    Cascade spectroscopy offers rich discovering opportunities that are essential to the current JLAB spectroscopy program at both CLAS, CLAS12 and GLUEX. Recent CLAS results have demonstrated the feasibility to study cascade resonances through photoproduction. The cross sections for the ground state cascade is observed to increase as a function of energy in the range of 2.8-5GeV. With the maximum achievable energy at CLAS12 with the current tagger being 6.3~GeV, cascade resonances up to 2.4~GeV are expected to be produced with reasonable rates. The possible addition of a RICH detector would certainly benefit physics programs requiring the detection of kaons, especially cascade physics.

  12. Cascade Distillation System Development

    NASA Technical Reports Server (NTRS)

    Callahan, Michael R.; Sargushingh, Miriam; Shull, Sarah

    2014-01-01

    NASA's Advanced Exploration Systems (AES) Life Support System (LSS) Project is chartered with de-veloping advanced life support systems that will ena-ble NASA human exploration beyond low Earth orbit (LEO). The goal of AES is to increase the affordabil-ity of long-duration life support missions, and to re-duce the risk associated with integrating and infusing new enabling technologies required to ensure mission success. Because of the robust nature of distillation systems, the AES LSS Project is pursuing develop-ment of the Cascade Distillation Subsystem (CDS) as part of its technology portfolio. Currently, the system is being developed into a flight forward Generation 2.0 design.

  13. Cascaded radiation pressure acceleration

    SciTech Connect

    Pei, Zhikun; Shen, Baifei E-mail: zhxm@siom.ac.cn; Zhang, Xiaomei E-mail: zhxm@siom.ac.cn; Wang, Wenpeng; Zhang, Lingang; Yi, Longqing; Shi, Yin; Xu, Zhizhan

    2015-07-15

    A cascaded radiation-pressure acceleration scheme is proposed. When an energetic proton beam is injected into an electrostatic field moving at light speed in a foil accelerated by light pressure, protons can be re-accelerated to much higher energy. An initial 3-GeV proton beam can be re-accelerated to 7 GeV while its energy spread is narrowed significantly, indicating a 4-GeV energy gain for one acceleration stage, as shown in one-dimensional simulations and analytical results. The validity of the method is further confirmed by two-dimensional simulations. This scheme provides a way to scale proton energy at the GeV level linearly with laser energy and is promising to obtain proton bunches at tens of gigaelectron-volts.

  14. Interband cascade lasers

    NASA Astrophysics Data System (ADS)

    Vurgaftman, I.; Weih, R.; Kamp, M.; Meyer, J. R.; Canedy, C. L.; Kim, C. S.; Kim, M.; Bewley, W. W.; Merritt, C. D.; Abell, J.; Höfling, S.

    2015-04-01

    We review the current status of interband cascade lasers (ICLs) emitting in the midwave infrared (IR). The ICL may be considered the hybrid of a conventional diode laser that generates photons via electron-hole recombination, and an intersubband-based quantum cascade laser (QCL) that stacks multiple stages for enhanced current efficiency. Following a brief historical overview, we discuss theoretical aspects of the active region and core designs, growth by molecular beam epitaxy, and the processing of broad-area, narrow-ridge, and distributed feedback (DFB) devices. We then review the experimental performance of pulsed broad area ICLs, as well as the continuous-wave (cw) characteristics of narrow ridges having good beam quality and DFBs producing output in a single spectral mode. Because the threshold drive powers are far lower than those of QCLs throughout the λ = 3-6 µm spectral band, ICLs are increasingly viewed as the laser of choice for mid-IR laser spectroscopy applications that do not require high output power but need to be hand-portable and/or battery operated. Demonstrated ICL performance characteristics to date include threshold current densities as low as 106 A cm-2 at room temperature (RT), cw threshold drive powers as low as 29 mW at RT, maximum cw operating temperatures as high as 118 °C, maximum cw output powers exceeding 400 mW at RT, maximum cw wallplug efficiencies as high as 18% at RT, maximum cw single-mode output powers as high as 55 mW at RT, and single-mode output at λ = 5.2 µm with a cw drive power of only 138 mW at RT.

  15. Molecular dynamics modeling of atomic displacement cascades in 3C-SiC: Comparison of interatomic potentials

    NASA Astrophysics Data System (ADS)

    Samolyuk, G. D.; Osetsky, Y. N.; Stoller, R. E.

    2015-10-01

    We used molecular dynamics modeling of atomic displacement cascades to characterize the nature of primary radiation damage in 3C-SiC. We demonstrated that the most commonly used interatomic potentials are inconsistent with ab initio calculations of defect energetics. Both the Tersoff potential used in this work and a modified embedded-atom method potential reveal a barrier to recombination of the carbon interstitial and carbon vacancy which is much higher than the density functional theory (DFT) results. The barrier obtained with a newer potential by Gao and Weber is closer to the DFT result. This difference results in significant differences in the cascade production of point defects. We have completed both 10 keV and 50 keV cascade simulations in 3C-SiC at a range of temperatures. In contrast to the Tersoff potential, the Gao-Weber potential produces almost twice as many C vacancies and interstitials at the time of maximum disorder (∼0.2 ps) but only about 25% more stable defects at the end of the simulation. Only about 20% of the carbon defects produced with the Tersoff potential recombine during the in-cascade annealing phase, while about 60% recombine with the Gao-Weber potential. The Gao-Weber potential appears to give a more realistic description of cascade dynamics in SiC, but still has some shortcomings when the defect migration barriers are compared to the ab initio results.

  16. 5 CFR 7.1 - Discretion in filling vacancies.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 5 Administrative Personnel 1 2010-01-01 2010-01-01 false Discretion in filling vacancies. 7.1 Section 7.1 Administrative Personnel OFFICE OF PERSONNEL MANAGEMENT CIVIL SERVICE RULES GENERAL PROVISIONS (RULE VII) § 7.1 Discretion in filling vacancies. In his discretion, an appointing officer may fill...

  17. 5 CFR 330.101 - Methods of filling vacancies.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 5 Administrative Personnel 1 2010-01-01 2010-01-01 false Methods of filling vacancies. 330.101 Section 330.101 Administrative Personnel OFFICE OF PERSONNEL MANAGEMENT CIVIL SERVICE REGULATIONS RECRUITMENT, SELECTION, AND PLACEMENT (GENERAL) Discretion in Filling Vacancies § 330.101 Methods of...

  18. Environmental Quality Assessment of Built Areas with High Vacancy

    NASA Astrophysics Data System (ADS)

    Jiang, Y.; Yuan, Y.; Neale, A. C.

    2015-12-01

    Around the world, many urban areas are challenged by vacant and abandoned residential and business property. High vacancy areas have often been associated with increasing public safety problems and declining property values and subsequent tax base. High vacancy can lead to visible signs of city decline and significant barriers to the revitalization of cities. Addressing the problem of vacancy requires knowledge of vacancy patterns and their possible contributing factors. In this study, we evaluated the ten year (2005-2015) urban environmental changes for some high vacancy areas. Social and economic variables derived from U.S. census data such as non-white population, employment rate, housing price, and environmental variables derived from National Land Cover Data such as land cover and impervious area, were used as the basis for analysis. Correlation analysis and principle components analysis were performed at the Census Block Group level. Three components were identified and interpreted as economic status, urbanness, and greenness. A synthetic Urban Environmental Quality (UEQ) index was developed by integrating the three principle components according to their weights. Comparisons of the UEQ indices between the 2005 and 2015 in the increasingly high vacancy area provided useful information for investigating the possible associations between social, economic, and environmental factors, and the vacancy status. This study could provide useful information for understanding the complex issues leading to vacancy and facilitating future rehabilitation of vacant urban area.

  19. 46 CFR 310.53 - Nominations and vacancies.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 46 Shipping 8 2010-10-01 2010-10-01 false Nominations and vacancies. 310.53 Section 310.53 Shipping MARITIME ADMINISTRATION, DEPARTMENT OF TRANSPORTATION TRAINING MERCHANT MARINE TRAINING Admission and Training of Midshipmen at the United States Merchant Marine Academy § 310.53 Nominations and vacancies. (a) Nominating officials. (1) Each...

  20. Simulation of collision cascades and thermal spikes in ceramics

    SciTech Connect

    Devanathan, Ramaswami; Weber, William J.

    2010-10-01

    Classical molecular dynamics simulations have been employed to examine defect production by energetic recoils in UO2, Gd2Ti2O7, Gd2Zr2O7 and ZrSiO4. These atomistic simulations provide details of the nature and size distribution of defect clusters produced in collision cascades. The accommodation of recoil damage by lower energy cation exchange and greater occupation of anion structural vacancies is a contributing factor for the greater radiation tolerance of Gd2Zr2O7 relative to Gd2Ti2O7. In addition, electronic energy loss processes in UO2 has been modeled in the form of a thermal spike to study the details of track formation and track structure. For thermal spikes with energy deposition of 4 keV/nm in UO2, a track was not formed and mainly isolated Frenkel pairs are produced.

  1. Size-dependent concentrations of thermal vacancies in solid films.

    PubMed

    Gao, Panpan; Wu, Quan; Li, Xi; Ma, Hongxin; Zhang, Hao; Volinsky, Alex A; Qiao, Lijie; Su, Yanjing

    2016-08-10

    Solid films are considered as typical model systems to study size effects on thermal vacancy concentration in nanomaterials. By combining the generalized Young-Laplace equation with the chemical potential of vacancies, a strict size-dependent thermodynamic model of vacancies, which includes the surface intrinsic elastic parameters of the eigenstress, Young's modulus and the geometric size of the solid films, was established. The vacancy concentration changes in the film with respect to the bulk value, depending on the geometric size and surface stress sign of the solid films. Atomistic simulations of Au and Pt films verified the developed thermodynamic model. These results provide physical insights into the size-dependent thermal vacancy concentration in nanomaterials. PMID:27476928

  2. Planar Vacancies in Sn1-xBixTe Nanoribbons.

    PubMed

    Zou, Yi-Chao; Chen, Zhi-Gang; Kong, Fantai; Lin, Jing; Drennan, John; Cho, Kyeongjae; Wang, Zhongchang; Zou, Jin

    2016-05-24

    Vacancy engineering is a crucial approach to manipulate physical properties of semiconductors. Here, we demonstrate that planar vacancies are formed in Sn1-xBixTe nanoribbons by using Bi dopants via a facile chemical vapor deposition. Through combination of sub-angstrom-resolution imaging and density functional theory calculations, these planar vacancies are found to be associated with Bi segregations, which significantly lower their formation energies. The planar vacancies exhibit polymorphic structures with local variations in the lattice relaxation level, determined by their proximity to the nanoribbon surface. Such polymorphic planar vacancies, in conjunction with Bi dopants, trigger distinct localized electronic states, offering platforms for device applications of ternary chalcogenide materials. PMID:27116636

  3. Hydrogen embrittlement of aluminum: the crucial role of vacancies.

    PubMed

    Lu, Gang; Kaxiras, Efthimios

    2005-04-22

    We report first-principles calculations which demonstrate that vacancies can combine with hydrogen impurities in bulk aluminum and play a crucial role in the embrittlement of this prototypical ductile solid. Our studies of hydrogen-induced vacancy superabundant formation and vacancy clusterization in aluminum lead to the conclusion that a large number of H atoms (up to 12) can be trapped at a single vacancy, which overcompensates the energy cost to form the defect. In the presence of trapped H atoms, three nearest-neighbor single vacancies which normally would repel each other, aggregate to form a trivacancy on the slip plane of Al, acting as embryos for microvoids and cracks and resulting in ductile rupture along these planes. PMID:15904157

  4. Visible-light-accelerated oxygen vacancy migration in strontium titanate

    PubMed Central

    Li, Y.; Lei, Y.; Shen, B. G.; Sun, J. R.

    2015-01-01

    Strontium titanate is a model transition metal oxide that exhibits versatile properties of special interest for both fundamental and applied researches. There is evidence that most of the attractive properties of SrTiO3 are closely associated with oxygen vacancies. Tuning the kinetics of oxygen vacancies is then highly desired. Here we reported on a dramatic tuning of the electro-migration of oxygen vacancies by visible light illumination. It is found that, through depressing activation energy for vacancy diffusion, light illumination remarkably accelerates oxygen vacancies even at room temperature. This effect provides a feasible approach towards the modulation of the anionic processes. The principle proved here can be extended to other perovskite oxides, finding a wide application in oxide electronics. PMID:26420376

  5. Cascade Mtns. Oregon

    NASA Technical Reports Server (NTRS)

    2002-01-01

    The ground near one of the long-dormant Three Sisters volcanoes in the Cascade Mountains of west-central Oregon has risen approximately 10centimeters in a 10-by-20-km parcel since 1996, meaning that magma or underground lava is slowly flowing into the area, according to a research team from the U.S. Geological Survey. The Three Sisters area -- which contains five volcanoes -- is only about 170 miles from Mount St. Helens, which erupted in 1980. Both are part of the Cascades Range, a line of 27volcanoes stretching from British Columbia in Canada to northern California. This perspective view was created by draping a simulated natural color ASTER image over digital topography from the U.S. Geological Survey National Elevation Dataset.

    This image was acquired on May 28, 2000 by the Advanced Spaceborne Thermal Emission and Reflection Radiometer (ASTER) on NASA's Terra satellite. With its 14 spectral bands from the visible to the thermal infrared wavelength region, and its high spatial resolution of 15 to 90 meters (about 50 to 300 feet), ASTER will image Earth for the next 6 years to map and monitor the changing surface of our planet.

    ASTER is one of five Earth-observing instruments launched December 18,1999, on NASA's Terra satellite. The instrument was built by Japan's Ministry of Economy, Trade and Industry. A joint U.S./Japan science team is responsible for validation and calibration of the instrument and the data products. Dr. Anne Kahle at NASA's Jet Propulsion Laboratory, Pasadena, California, is the U.S. Science team leader; Bjorn Eng of JPL is the project manager. ASTER is the only high resolution imaging sensor on Terra. The Terra mission is part of NASA's Earth Science Enterprise, along-term research and technology program designed to examine Earth's land, oceans, atmosphere, ice and life as a total integrated system.

    The broad spectral coverage and high spectral resolution of ASTER will provide scientists in numerous disciplines with critical

  6. Cascading Effects Following Intervention

    PubMed Central

    Patterson, Gerald R.; Forgatch, Marion S.; DeGarmo, David S.

    2010-01-01

    Four different sources for cascade effects were examined using 9-year process and outcome data from a randomized controlled trial (RCT) of a preventive intervention using Parent Management Training – Oregon Model (PMTO™). The social interaction learning (SIL) model of child antisocial behavior serves as one basis for predicting change. A second source addresses the issue of comorbid relationships among clinical diagnoses. The third source, collateral changes, describes events in which changes in one family member correlate with changes in another. The fourth component is based on the long-term effects of reducing coercion and increasing positive interpersonal processes within the family. New findings from the 9-year follow-up show that mothers experienced benefits as measured by standard of living (i.e., income, occupation, education, and financial stress) and frequency of police arrests. It is assumed that PMTO reduces the level of coercion, which sets the stage for a massive increase in positive social interaction. In effect, PMTO alters the family environment and thereby opens doors to healthy new social environments. PMID:20883592

  7. Terahertz quantum cascade VECSEL

    NASA Astrophysics Data System (ADS)

    Xu, Luyao; Curwen, Christopher A.; Hon, Philip W. C.; Itoh, Tatsuo; Williams, Benjamin S.

    2016-03-01

    Vertical-external-cavity surface-emitting lasers (VECSELs) have been successfully used in the visible and near-infrared to achieve high output power with excellent Gaussian beam quality. However, the concept of VECSEL has been impossible to implement for quantum-cascade (QC) lasers due to the "intersubband selection rule". We have recently demonstrated the first VECSEL in the terahertz range. The enabling component for the QC-VECSEL is an amplifying metasurface reflector composed of a sparse array of metallic sub-cavities, which allows the normally incident radiation to interact with the electrically pumped QC gain medium. In this work, we presented multiple design variations based on the first demonstrated THz QC-VECSEL, regarding the lasing frequencies, the output coupler and the intra-cavity aperture. Our work on THz QC-VECSEL initiates a new approach towards achieving scalable output power in combination with a diffraction-limited beam pattern for THz QC-lasers. The design variations presented in this work further demonstrate the practicality and potential of VECSEL approach to make ideal terahertz QC-laser sources.

  8. Design of choking cascade turns

    NASA Astrophysics Data System (ADS)

    Baird, J.

    1982-12-01

    Five different shock-positioning cascades, for short-radius turns in ramjet inlet diffusers, were designed and tested on the AFIT water table. These flow controllers were to perform the same function as the conventional arrangement of an aerodynamic grid and a long-radius turn. The tests were to determine the suitability of the water table for such experimentation, in addition to determining the flow-control capabilities and pressure recovery of the cascades. All five designs accomplished the flow-control function as designed, and two designs exhibited the same or better pressure recovery than the aerodynamic grid. The water table proved to be an excellent means of testing these cascades, primarily due to the ease of flow visualization in the tests done. The shock-positioning cascade, short-radius turn concept shows promise and should be tested further in gas-dynamic apparatus.

  9. Cascade redox flow battery systems

    DOEpatents

    Horne, Craig R.; Kinoshita, Kim; Hickey, Darren B.; Sha, Jay E.; Bose, Deepak

    2014-07-22

    A reduction/oxidation ("redox") flow battery system includes a series of electrochemical cells arranged in a cascade, whereby liquid electrolyte reacts in a first electrochemical cell (or group of cells) before being directed into a second cell (or group of cells) where it reacts before being directed to subsequent cells. The cascade includes 2 to n stages, each stage having one or more electrochemical cells. During a charge reaction, electrolyte entering a first stage will have a lower state-of-charge than electrolyte entering the nth stage. In some embodiments, cell components and/or characteristics may be configured based on a state-of-charge of electrolytes expected at each cascade stage. Such engineered cascades provide redox flow battery systems with higher energy efficiency over a broader range of current density than prior art arrangements.

  10. Stochastic background of atmospheric cascades

    SciTech Connect

    Wilk, G. ); Wlodarczyk, Z. )

    1993-06-15

    Fluctuations in the atmospheric cascades developing during the propagation of very high energy cosmic rays through the atmosphere are investigated using stochastic branching model of pure birth process with immigration. In particular, we show that the multiplicity distributions of secondaries emerging from gamma families are much narrower than those resulting from hadronic families. We argue that the strong intermittent like behaviour found recently in atmospheric families results from the fluctuations in the cascades themselves and are insensitive to the details of elementary interactions.

  11. Computation of inverse magnetic cascades

    NASA Technical Reports Server (NTRS)

    Montgomery, D.

    1981-01-01

    Inverse cascades of magnetic quantities for turbulent incompressible magnetohydrodynamics are reviewed, for two and three dimensions. The theory is extended to the Strauss equations, a description intermediate between two and three dimensions appropriate to Tokamak magnetofluids. Consideration of the absolute equilibrium Gibbs ensemble for the system leads to a prediction of an inverse cascade of magnetic helicity, which may manifest itself as a major disruption. An agenda for computational investigation of this conjecture is proposed.

  12. Stochastic background of atmospheric cascades

    NASA Astrophysics Data System (ADS)

    Wilk, G.; WŁOdarczyk, Z.

    1993-06-01

    Fluctuations in the atmospheric cascades developing during the propagation of very high energy cosmic rays through the atmosphere are investigated using stochastic branching model of pure birth process with immigration. In particular, we show that the multiplicity distributions of secondaries emerging from gamma families are much narrower than those resulting from hadronic families. We argue that the strong intermittent like behaviour found recently in atmospheric families results from the fluctuations in the cascades themselves and are insensitive to the details of elementary interactions.

  13. The cascade high productivity language

    NASA Technical Reports Server (NTRS)

    Callahan, David; Chamberlain, Branford L.; Zima, Hans P.

    2004-01-01

    This paper describes the design of Chapel, the Cascade High Productivity Language, which is being developed in the DARPA-funded HPCS project Cascade led by Cray Inc. Chapel pushes the state-of-the-art in languages for HEC system programming by focusing on productivity, in particular by combining the goal of highest possible object code performance with that of programmability offered by a high-level user interface.

  14. Computation of inverse magnetic cascades

    SciTech Connect

    Montgomery, D.

    1981-10-01

    Inverse cascades of magnetic quantities for turbulent incompressible magnetohydrodynamics are reviewed, for two and three dimensions. The theory is extended to the Strauss equations, a description intermediate between two and three dimensions appropriate to tokamak magnetofluids. Consideration of the absolute equilibrium Gibbs ensemble for the system leads to a prediction of an inverse cascade of magnetic helicity, which may manifest itself as a major disruption. An agenda for computational investigation of this conjecture is proposed.

  15. Cascading gravity is ghost free

    SciTech Connect

    Rham, Claudia de; Khoury, Justin; Tolley, Andrew J.

    2010-06-15

    We perform a full perturbative stability analysis of the 6D cascading gravity model in the presence of 3-brane tension. We demonstrate that for sufficiently large tension on the (flat) 3-brane, there are no ghosts at the perturbative level, consistent with results that had previously only been obtained in a specific 5D decoupling limit. These results establish the cascading gravity framework as a consistent infrared modification of gravity.

  16. Spatial Configuration of Atoms with High-Energy Atomic Displacement Cascade in α-Fe

    NASA Astrophysics Data System (ADS)

    Wang, Wei-Lu; Wu, Xuebang; Liu, Wei; Fang, Q. F.; Liu, C. S.; Huang, Qun-Ying; Wu, Y. C.

    2012-11-01

    Molecular dynamics simulations were performed to study the primary damage formation in α-Fe through collision cascades with a cascade energy of up to 100 keV. The pair analysis technique was introduced to characterize the spatial local structure distributions of atoms. The damaged microstructural unit characteristics of the body-centered cubic (bcc) crystal structure, as well as the number of point defects, followed a similar trend. Furthermore, the damaged atoms exist mostly in the microstructural characteristics of icosahedral and short-range ordering in amorphous states during and at the end of cascades. Most local spatial structures of the damaged atoms can be divided into two groups based on their corresponding non-characteristic index-pair change trends with time. The curves of the first group coincided with the vacancy (V) that exhibited one peak, whereas the curves of the second group exhibiting two peaks corresponded to the self-interstitial atoms (SIA). The maximum distance at which defects could interact with each other in space was the fifth nearest-neighbor distance of the atoms of perfect lattices in the bcc lattice. The number of local structural units of the damaged atoms that were connected with a single point defect (either V or SIA) continued to increase with increasing cascade energy by the end of the simulation. By contrast, the number of units that were connected with both V and SIA decreased. These results may help us understand the spatial configuration of atoms in the course of collision cascades.

  17. Coulomb charging energy of vacancy-induced states in graphene

    NASA Astrophysics Data System (ADS)

    Miranda, V. G.; Dias da Silva, Luis G. G. V.; Lewenkopf, C. H.

    2016-08-01

    Vacancies in graphene have been proposed to give rise to π -like magnetism in carbon materials, a conjecture which has been supported by recent experimental evidence. A key element in this "vacancy magnetism" is the formation of magnetic moments in vacancy-induced electronic states. In this work we compute the charging energy U of a single-vacancy-generated localized state for bulk graphene and graphene ribbons. We use a tight-binding model to calculate the dependency of the charging energy U on the amplitudes of the localized wave function on the graphene lattice sites. We show that for bulk graphene U scales with the system size L as (lnL) -2, confirming the predictions in the literature, based on heuristic arguments. In contrast, we find that for realistic system sizes U is of the order of eV, a value that is orders of magnitude higher than the previously reported estimates. Finally, when edges are considered, we show that U is very sensitive to the vacancy position with respect to the graphene flake boundaries. In the case of armchair nanoribbons, we find a strong enhancement of U in certain vacancy positions as compared to the value for vacancies in bulk graphene.

  18. Vacancy-controlled ultrastable nanoclusters in nanostructured ferritic alloys

    DOE PAGESBeta

    Zhang, Z. W.; Yao, L.; Wang, X. -L.; Miller, M. K.

    2015-05-29

    A new class of advanced structural materials, based on the Fe-O-vacancy system, has exceptional resistance to high-temperature creep and excellent tolerance to extremely high-dose radiation. Although these remarkable improvements in properties compared to steels are known to be associated with the Y-Ti-O-enriched nanoclusters, the roles of vacancies in facilitating the nucleation of nanoclusters are a long-standing puzzle, due to the experimental difficulties in characterizing vacancies, particularly in-situ while the nanoclusters are forming. We report an experiment study that provides the compelling evidence for the presence of significant concentrations of vacancies in Y-Ti-O-enriched nanoclusters in a nanostructured ferritic alloy using amore » combination of state-of-the-art atom-probe tomography and in situ small angle neutron scattering. The nucleation of nanoclusters starts from the O-enriched solute clustering with vacancy mediation. The nanoclusters grow with an extremely low growth rate through attraction of vacancies and O:vacancy pairs, leading to the unusual stability of the nanoclusters.« less

  19. Vacancy-controlled ultrastable nanoclusters in nanostructured ferritic alloys

    SciTech Connect

    Zhang, Z. W.; Yao, L.; Wang, X. -L.; Miller, M. K.

    2015-05-29

    A new class of advanced structural materials, based on the Fe-O-vacancy system, has exceptional resistance to high-temperature creep and excellent tolerance to extremely high-dose radiation. Although these remarkable improvements in properties compared to steels are known to be associated with the Y-Ti-O-enriched nanoclusters, the roles of vacancies in facilitating the nucleation of nanoclusters are a long-standing puzzle, due to the experimental difficulties in characterizing vacancies, particularly in-situ while the nanoclusters are forming. We report an experiment study that provides the compelling evidence for the presence of significant concentrations of vacancies in Y-Ti-O-enriched nanoclusters in a nanostructured ferritic alloy using a combination of state-of-the-art atom-probe tomography and in situ small angle neutron scattering. The nucleation of nanoclusters starts from the O-enriched solute clustering with vacancy mediation. The nanoclusters grow with an extremely low growth rate through attraction of vacancies and O:vacancy pairs, leading to the unusual stability of the nanoclusters.

  20. Vacancy-controlled ultrastable nanoclusters in nanostructured ferritic alloys

    PubMed Central

    Zhang, Z. W.; Yao, L.; Wang, X.-L.; Miller, M. K.

    2015-01-01

    A new class of advanced structural materials, based on the Fe-O-vacancy system, has exceptional resistance to high-temperature creep and excellent tolerance to extremely high-dose radiation. Although these remarkable improvements in properties compared to steels are known to be associated with the Y-Ti-O-enriched nanoclusters, the roles of vacancies in facilitating the nucleation of nanoclusters are a long-standing puzzle, due to the experimental difficulties in characterizing vacancies, particularly in-situ while the nanoclusters are forming. Here we report an experiment study that provides the compelling evidence for the presence of significant concentrations of vacancies in Y-Ti-O-enriched nanoclusters in a nanostructured ferritic alloy using a combination of state-of-the-art atom-probe tomography and in situ small angle neutron scattering. The nucleation of nanoclusters starts from the O-enriched solute clustering with vacancy mediation. The nanoclusters grow with an extremely low growth rate through attraction of vacancies and O:vacancy pairs, leading to the unusual stability of the nanoclusters. PMID:26023747

  1. Interband Cascade Photovoltaic Cells

    SciTech Connect

    Yang, Rui Q.; Santos, Michael B.; Johnson, Matthew B.

    2014-09-24

    In this project, we are performing basic and applied research to systematically investigate our newly proposed interband cascade (IC) photovoltaic (PV) cells [1]. These cells follow from the great success of infrared IC lasers [2-3] that pioneered the use of quantum-engineered IC structures. This quantum-engineered approach will enable PV cells to efficiently convert infrared radiation from the sun or other heat source, to electricity. Such cells will have important applications for more efficient use of solar energy, waste-heat recovery, and power beaming in combination with mid-infrared lasers. The objectives of our investigations are to: achieve extensive understanding of the fundamental aspects of the proposed PV structures, develop the necessary knowledge for making such IC PV cells, and demonstrate prototype working PV cells. This research will focus on IC PV structures and their segments for utilizing infrared radiation with wavelengths from 2 to 5 μm, a range well suited for emission by heat sources (1,000-2,000 K) that are widely available from combustion systems. The long-term goal of this project is to push PV technology to longer wavelengths, allowing for relatively low-temperature thermal sources. Our investigations address material quality, electrical and optical properties, and their interplay for the different regions of an IC PV structure. The tasks involve: design, modeling and optimization of IC PV structures, molecular beam epitaxial growth of PV structures and relevant segments, material characterization, prototype device fabrication and testing. At the end of this program, we expect to generate new cutting-edge knowledge in the design and understanding of quantum-engineered semiconductor structures, and demonstrate the concepts for IC PV devices with high conversion efficiencies.

  2. Molecular dynamics simulations of displacement cascades in GaAs.

    SciTech Connect

    Foiles, Stephen Martin

    2010-04-01

    The quantification of the production of primary defects via displacement cascades is an important ingredient in the prediction of the influence of radiation on the performance of electronic components in radiation environments. Molecular dynamics simulations of displacement cascades are performed for GaAs The interatomic interactions are described using a recently proposed Bond Order Potential, and a simple model of electronic stopping is incorporated. The production of point defects is quantified as a function of recoil energy and recoil species. Correlations in the point defects are examined. There are a large number of anti-site defects nearest-neighbor pairs as well as di-vacancies and larger order vacancy clusters. Radiation damage and ion implantation in materials have been studied via molecular dynamics for many years. A significant challenge in these simulations is the detailed identification and quantification of the primary defect production. For the present case of a compound semiconductor, GaAs, there are a larger number of possible point defects compared to elemental materials; two types of vacancies, two types of interstitials and antisite defects. This is further complicated by the fact that, in addition to the formation of point defects, amorphous zones may also be created. The goal of the current work is to quantify the production of primary defects in GaAs due to radiation exposures. This information will be used as part of an effort to predict the influence of radiation environments on the performance of electronic components and circuits. The data provide the initial state for continuum-level analysis of the temporal evolution of defect populations. For this initial state, it is important to know both the number of the various point defects that may be produced as well as the initial spatial correlations between the primary defects. The molecular dynamics simulations employ a recently developed Bond Order Potential (BOP) for GaAs. The analysis

  3. Displacement cascades and defects annealing in tungsten, Part I: Defect database from molecular dynamics simulations

    SciTech Connect

    Setyawan, Wahyu; Nandipati, Giridhar; Roche, Kenneth J.; Heinisch, Howard L.; Wirth, Brian D.; Kurtz, Richard J.

    2015-07-01

    Molecular dynamics simulations have been used to generate a comprehensive database of surviving defects due to displacement cascades in bulk tungsten. Twenty-one data points of primary knock-on atom (PKA) energies ranging from 100 eV (sub-threshold energy) to 100 keV (~780×Ed, where Ed = 128 eV is the average displacement threshold energy) have been completed at 300 K, 1025 K and 2050 K. Within this range of PKA energies, two regimes of power-law energy-dependence of the defect production are observed. A distinct power-law exponent characterizes the number of Frenkel pairs produced within each regime. The two regimes intersect at a transition energy which occurs at approximately 250×Ed. The transition energy also marks the onset of the formation of large self-interstitial atom (SIA) clusters (size 14 or more). The observed defect clustering behavior is asymmetric, with SIA clustering increasing with temperature, while the vacancy clustering decreases. This asymmetry increases with temperature such that at 2050 K (~0.5Tm) practically no large vacancy clusters are formed, meanwhile large SIA clusters appear in all simulations. The implication of such asymmetry on the long-term defect survival and damage accumulation is discussed. In addition, <100> {110} SIA loops are observed to form directly in the highest energy cascades, while vacancy <100> loops are observed to form at the lowest temperature and highest PKA energies, although the appearance of both the vacancy and SIA loops with Burgers vector of <100> type is relatively rare.

  4. Vacancy generation in liquid phase epitaxy of Si

    NASA Astrophysics Data System (ADS)

    La Magna, A.; Privitera, V.; Fortunato, Guglielmo; Cuscunà, Massimo; Svensson, B. G.; Monakhov, E.; Kuitunen, K.; Slotte, J.; Tuomisto, F.

    2007-06-01

    Concerted experiments and theoretical analysis are applied to conclusively demonstrate the vacancy generation during fast melting and regrowth of Si by laser irradiation. Experiments, based on the positron annihilation spectroscopy and designed to test the theoretical predictions, evidence a vacancy supersaturation after the laser process depending on the irradiation conditions. Stochastic atomistic simulations of the molten Si recrystallization show trapping of vacancies in the recrystallized region. Finally, continuum phase-field simulations of the full process, calibrated using the Monte Carlo results, show a defect evolution in close agreement with the experiments.

  5. Slow relaxation of cascade-induced defects in Fe

    SciTech Connect

    Béland, Laurent Karim; Osetsky, Yuri N.; Stoller, Roger E.; Xu, Haixuan

    2015-02-17

    On-the-fly kinetic Monte Carlo (KMC) simulations are performed to investigate slow relaxation of non-equilibrium systems. Point defects induced by 25 keV cascades in α -Fe are shown to lead to a characteristic time-evolution, described by the replenish and relax mechanism. Then, we produce an atomistically-based assessment of models proposed to explain the slow structural relaxation by focusing on the aggregation of 50 vacancies and 25 self-interstital atoms (SIA) in 10-lattice-parameter α-Fe boxes, two processes that are closely related to cascade annealing and exhibit similar time signature. Four atomistic effects explain the timescales involved in the evolution: defect concentration heterogeneities, concentration-enhanced mobility, cluster-size dependent bond energies and defect-induced pressure. In conclusion, these findings suggest that the two main classes of models to explain slow structural relaxation, the Eyring model and the Gibbs model, both play a role to limit the rate of relaxation of these simple point-defect systems.

  6. Slow relaxation of cascade-induced defects in Fe

    DOE PAGESBeta

    Béland, Laurent Karim; Osetsky, Yuri N.; Stoller, Roger E.; Xu, Haixuan

    2015-02-17

    On-the-fly kinetic Monte Carlo (KMC) simulations are performed to investigate slow relaxation of non-equilibrium systems. Point defects induced by 25 keV cascades in α -Fe are shown to lead to a characteristic time-evolution, described by the replenish and relax mechanism. Then, we produce an atomistically-based assessment of models proposed to explain the slow structural relaxation by focusing on the aggregation of 50 vacancies and 25 self-interstital atoms (SIA) in 10-lattice-parameter α-Fe boxes, two processes that are closely related to cascade annealing and exhibit similar time signature. Four atomistic effects explain the timescales involved in the evolution: defect concentration heterogeneities, concentration-enhancedmore » mobility, cluster-size dependent bond energies and defect-induced pressure. In conclusion, these findings suggest that the two main classes of models to explain slow structural relaxation, the Eyring model and the Gibbs model, both play a role to limit the rate of relaxation of these simple point-defect systems.« less

  7. Cascade defect evolution processes: Comparison of atomistic methods

    NASA Astrophysics Data System (ADS)

    Xu, Haixuan; Stoller, Roger E.; Osetsky, Yury N.

    2013-11-01

    Determining defect evolution beyond the molecular dynamics (MD) time scale is critical to bridging the gap between atomistic simulations and experiments. The recently developed self-evolving atomistic kinetic Monte Carlo (SEAKMC) method provides new opportunities to simulate long-term defect evolution with MD-like fidelity to the atomistic processes involved. To demonstrate this capability, three examples are presented in which SEAKMC has been used to investigate the evolution of typical radiation-induced defects in bcc iron. Depending on the particular example, SEAKMC results are compared with those obtained using two other on-the-fly KMC techniques, object KMC, and MD. The three examples are: (1) evolution of a vacancy-rich region similar to the core of a displacement cascade, (2) the stability of recently reported interstitial clusters with a structure similar to the C15 Laves phase, and (3) long-term aging of atomic displacement cascade debris. In the various examples, the SEAKMC approach provides better agreement with MD simulations, highlights the importance of the underlying atomistic processes, and provides new information on long-term defect evolution in iron.

  8. Slow relaxation of cascade-induced defects in Fe

    NASA Astrophysics Data System (ADS)

    Béland, Laurent Karim; Osetsky, Yuri N.; Stoller, Roger E.; Xu, Haixuan

    2015-02-01

    On-the-fly kinetic Monte Carlo simulations are performed to investigate slow relaxation of nonequilibrium systems. Point defects induced by 25 keV cascades in α -Fe are shown to lead to a characteristic time evolution, described by the replenish-and-relax mechanism. Then, we produce an atomistically based assessment of models proposed to explain the slow structural relaxation by focusing on the aggregation of 50 vacancies and 25 self-interstitial atoms in 10-lattice-parameter α -Fe boxes, two processes that are closely related to cascade annealing and exhibit similar time signatures. Four atomistic effects explain the time scales involved in the evolution: defect concentration heterogeneities, concentration-enhanced mobility, cluster-size-dependent bonding energies, and defect-induced pressure. These findings suggest that the two main classes of models to explain slow structural relaxation, the Eyring model and the Gibbs model, both play a role in limiting the rate of relaxation of these simple point-defect systems.

  9. Deterministic Role of Concentration Surplus of Cation Vacancy over Anion Vacancy in Bipolar Memristive NiO.

    PubMed

    Sun, Zhong; Zhao, Yonggang; He, Min; Gu, Lin; Ma, Chao; Jin, Kuijuan; Zhao, Diyang; Luo, Nannan; Zhang, Qinghua; Wang, Na; Duan, Wenhui; Nan, Ce-Wen

    2016-05-11

    Migration of oxygen vacancies has been proposed to play an important role in the bipolar memristive behaviors because oxygen vacancies can directly determine the local conductivity in many systems. However, a recent theoretical work demonstrated that both migration of oxygen vacancies and coexistence of cation and anion vacancies are crucial to the occurrence of bipolar memristive switching, normally observed in the small-sized NiO. So far, experimental work addressing this issue is still lacking. In this work, with conductive atomic force microscopy and combined scanning transmission electron microscopy and electron energy loss spectroscopy, we reveal that concentration surplus of Ni vacancy over O vacancy determines the bipolar memristive switching of NiO films. Our work supports the dual-defects-based model, which is of fundamental importance for understanding the memristor mechanisms beyond the well-established oxygen-vacancy-based model. Moreover, this work provides a methodology to investigate the effect of dual defects on memristive behaviors. PMID:27096884

  10. Molecular dynamics modeling of atomic displacement cascades in 3C-SiC: Comparison of interatomic potentials

    SciTech Connect

    Samolyuk, German D.; Osetskiy, Yury N.; Stoller, Roger E.

    2015-06-03

    We used molecular dynamics modeling of atomic displacement cascades to characterize the nature of primary radiation damage in 3C-SiC. We demonstrated that the most commonly used interatomic potentials are inconsistent with ab initio calculations of defect energetics. Both the Tersoff potential used in this work and a modified embedded-atom method potential reveal a barrier to recombination of the carbon interstitial and carbon vacancy which is much higher than the density functional theory (DFT) results. The barrier obtained with a newer potential by Gao and Weber is closer to the DFT result. This difference results in significant differences in the cascade production of point defects. We have completed both 10 keV and 50 keV cascade simulations in 3C-SiC at a range of temperatures. In contrast to the Tersoff potential, the Gao-Weber potential produces almost twice as many C vacancies and interstitials at the time of maximum disorder (~0.2 ps) but only about 25% more stable defects at the end of the simulation. Only about 20% of the carbon defects produced with the Tersoff potential recombine during the in-cascade annealing phase, while about 60% recombine with the Gao-Weber potential.

  11. Enzymatically Controlled Vacancies in Nanoparticle Crystals.

    PubMed

    Barnaby, Stacey N; Ross, Michael B; Thaner, Ryan V; Lee, Byeongdu; Schatz, George C; Mirkin, Chad A

    2016-08-10

    In atomic systems, the mixing of metals results in distinct phase behavior that depends on the identity and bonding characteristics of the atoms. In nanoscale systems, the use of oligonucleotides as programmable "bonds" that link nanoparticle "atoms" into superlattices allows for the decoupling of atom identity and bonding. While much research in atomic systems is dedicated to understanding different phase behavior of mixed metals, it is not well understood on the nanoscale how changes in the nanoscale "bond" affect the phase behavior of nanoparticle crystals. In this work, the identity of the atom is kept the same, but the chemical nature of the bond is altered, which is not possible in atomic systems, through the use of DNA and RNA bonding elements. These building blocks assemble into single crystal nanoparticle superlattices with mixed DNA and RNA bonding elements throughout. The nanoparticle crystals can be dynamically changed through the selective and enzymatic hydrolysis of the RNA bonding elements, resulting in superlattices that retain their crystalline structure and habit, while incorporating up to 35% random vacancies generated from the nanoparticles removed. Therefore, the bonding elements of nanoparticle crystals can be enzymatically and selectively addressed without affecting the nature of the atom. PMID:27428463

  12. 78 FR 21134 - Merchant Mariner Medical Advisory Committee; Vacancy

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-04-09

    ... of commercial vessels; medical examiner education; and medical research. DATES: Applicants must send... qualifications of operators of commercial vessels; medical examiner education; and medical research. The... SECURITY Coast Guard Merchant Mariner Medical Advisory Committee; Vacancy AGENCY: United States Coast...

  13. Studying oxygen vacancies in ceramics by perturbed angular correlation spectroscopy

    SciTech Connect

    Su, Han-Tzong; Wang, Ruiping; Fuchs, H.; Gardner, J.A. . Dept. of Physics); Evenson, W.E. . Dept. of Physics); Sommers, J.A. )

    1990-01-01

    Perturbed angular correlation measurements in tetragonal and cubic zirconia and in ceria are described. A physically reasonable and self-consistent interpretation of these data implies that oxygen vacancies are trapped at a second neighbor position by Cd in tetragonal zirconia and by In in ceria. For Cd in tetragonal zirconia, the vacancy trap energy is found to be 0.44 eV, and the energy barrier between adjacent trap sites is approximately 0.8 eV. The activation energy of an oxygen vacancy hopping between trap sites around {sup 111}Cd in ceria is found to be 0.55 eV. The activation energy for oxygen vacancy hopping in cubic zirconia, as detected by {sup 181}Ta PAC, is about 1.0 eV and independent of the Y concentration. 12 refs., 4 figs.

  14. 76 FR 34738 - National Boating Safety Advisory Committee; Vacancies

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-06-14

    ... 12, 2009, (74 FR 22174) and May 10, 2010, (75 FR 25872) will be considered for the 2011 vacancies and... notice. Dated: June 1, 2011. K.S. Cook, Rear Admiral, U.S. Coast Guard, Director of Prevention...

  15. 78 FR 42945 - Health Information Technology Policy Committee Vacancy

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-07-18

    ... OFFICE Health Information Technology Policy Committee Vacancy AGENCY: Government Accountability Office... Reinvestment Act of 2009 (ARRA) established the Health Information Technology Policy Committee (Health IT.... ARRA requires that one member have expertise in health information privacy and security. Due to...

  16. 78 FR 1865 - National Boating Safety Advisory Council; Vacancies

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-01-09

    ... Register on February 10, 2012, (77 FR 7170) will be considered for the 2014 vacancies and do not need to..., national origin, political affiliation, sexual orientation, gender identity, marital status, disability...

  17. 75 FR 71721 - Pittsburgh Area Maritime Security Committee; Vacancies

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-11-24

    ... SECURITY Coast Guard Pittsburgh Area Maritime Security Committee; Vacancies AGENCY: Coast Guard, DHS... the Pittsburgh Area Maritime Security Committee to submit their application for membership, to the...-7324. SUPPLEMENTARY INFORMATION: Authority Section 102 of the Maritime Transportation Security...

  18. Cascaded-cladding-pumped cascaded Raman fiber amplifier.

    PubMed

    Jiang, Huawei; Zhang, Lei; Feng, Yan

    2015-06-01

    The conversion efficiency of double-clad Raman fiber laser is limited by the cladding-to-core area ratio. To get high conversion efficiency, the inner-cladding-to-core area ratio has to be less than about 8, which limits the brightness enhancement. To overcome the problem, a cascaded-cladding-pumped cascaded Raman fiber laser with multiple-clad fiber as the Raman gain medium is proposed. A theoretical model of Raman fiber amplifier with multiple-clad fiber is developed, and numerical simulation proves that the proposed scheme can improve the conversion efficiency and brightness enhancement of cladding pumped Raman fiber laser. PMID:26072764

  19. Singular field response and singular screening of vacancies in antiferromagnets.

    PubMed

    Wollny, Alexander; Andrade, Eric C; Vojta, Matthias

    2012-10-26

    For isolated vacancies in ordered local-moment antiferromagnets we show that the magnetic-field linear-response limit is generically singular: The magnetic moment associated with a vacancy in zero field is different from that in a finite field h in the limit h→0(+). The origin is a universal and singular screening cloud, which moreover leads to perfect screening as h→0(+) for magnets which display spin-flop bulk states in the weak-field limit. PMID:23215218

  20. Correlations and alloy properties - Growth, vacancies, surface segregation

    NASA Technical Reports Server (NTRS)

    Sher, A.; Berding, M. A.; Chen, A.-B.; Patrick, R. S.

    1989-01-01

    The aspects of bonding interaction mechanisms which have an impact on the correlation state of alloy semiconductors are demonstrated. The effect of the correlation state on liquidus and solidus curves, on surface segregation, and on vacancy densities is deduced. Vacancy energies for several alloys are presented, and tentative conclusions are drawn about their effects on diffusion, doping, and ion beam processing. Features of the theory of surface segregation in semiconductor alloys are then presented.

  1. Stability and mobility of vacancy-H complexes in Al

    NASA Astrophysics Data System (ADS)

    Benediktsson, Magnús Þ.; Mýrdal, Kjartan K. G.; Maurya, Pramod; Pedersen, Andreas

    2013-09-01

    The effect of hydrogen loading on the stability and mobility of vacancy-H complexes in aluminum is determined by applying DFT and the minimum-mode-following method. The binding energy per H-atom within a complex is found to range from -0.36 eV/atom to -0.34 eV/atom for an occupancy of, respectively, a single and eight H-atoms. When eight H-atoms are neighboring the vacancy the total binding energy becomes -2.72 eV. However, already at a load level of two H-atoms the total binding energy reaches -0.70 eV, which fully compensates the vacancy creation energy. It is observed that for complexes with four or more H-atoms the vacancy gets pinned, as the diffusion barrier increases by a factor of two, reaching a value of 1.03 eV or more. The explanation for the increased energy barrier is that at the higher hydrogen load levels the system must traverse an energetically unfavorable configuration where two or more H-atoms are separated from the vacancy. As a possible consequence of the decreased mobility and increased stability, highly loaded vacancy-H complexes are likely to act as nucleation sites for extended defects.

  2. Lateral manipulation of atomic vacancies in ultrathin insulating films.

    PubMed

    Li, Zhe; Chen, Hsin-Yi Tiffany; Schouteden, Koen; Lauwaet, Koen; Janssens, Ewald; Van Haesendonck, Chris; Pacchioni, Gianfranco; Lievens, Peter

    2015-05-26

    During the last 20 years, using scanning tunneling microscopy (STM) and atomic force microscopy, scientists have successfully achieved vertical and lateral repositioning of individual atoms on and in different types of surfaces. Such atom manipulation allows the bottom-up assembly of novel nanostructures that can otherwise not be fabricated. It is therefore surprising that controlled repositioning of virtual atoms, i.e., atomic vacancies, across atomic lattices has not yet been achieved experimentally. Here we use STM at liquid helium temperature (4.5 K) to create individual Cl vacancies and subsequently to laterally manipulate them across the surface of ultrathin sodium chloride films. This allows monitoring the interactions between two neighboring vacancies with different separations. Our findings are corroborated by density functional theory calculations and STM image simulations. The lateral manipulation of atomic vacancies opens up a new playground for the investigation of fundamental physical properties of vacancy nanostructures of any size and shape and their coupling with the supporting substrate, and of the interaction of various deposits with charged vacancies. PMID:25769024

  3. Stability and mobility of vacancy-H complexes in Al.

    PubMed

    Benediktsson, Magnús Th; Mýrdal, Kjartan K G; Maurya, Pramod; Pedersen, Andreas

    2013-09-18

    The effect of hydrogen loading on the stability and mobility of vacancy-H complexes in aluminum is determined by applying DFT and the minimum-mode-following method. The binding energy per H-atom within a complex is found to range from -0.36 eV/atom to -0.34 eV/atom for an occupancy of, respectively, a single and eight H-atoms. When eight H-atoms are neighboring the vacancy the total binding energy becomes -2.72 eV. However, already at a load level of two H-atoms the total binding energy reaches -0.70 eV, which fully compensates the vacancy creation energy. It is observed that for complexes with four or more H-atoms the vacancy gets pinned, as the diffusion barrier increases by a factor of two, reaching a value of 1.03 eV or more. The explanation for the increased energy barrier is that at the higher hydrogen load levels the system must traverse an energetically unfavorable configuration where two or more H-atoms are separated from the vacancy. As a possible consequence of the decreased mobility and increased stability, highly loaded vacancy-H complexes are likely to act as nucleation sites for extended defects. PMID:23962804

  4. First principle investigation of isolated vacancy in (111) diamond surface

    NASA Astrophysics Data System (ADS)

    Hu, Wenhao; Flatté, Michael

    As the simplest intrinsic defect, isolated vacancy has been studied intensively theoretically and experimentally in diamond's bulk phase. Nevertheless, its correspondence in surface phase still lacks people's attention. Nitrogen vacancy center has become the most ideal candidates for solid states computing due to its long coherence time at room temperature. Resembling NV center, the isolated vacancy on surface exhibits a similar ambient potential and the same 3-fold rotational symmetry due to the asymmetry of surface, which implies a similar character in them. In our work, the isolated vacancy in clean and hydrogen terminated (111) surface of diamond are investigated from first principle perspective. Full potential LAPW method implemented in WIEN2K is exploited under GGA approximation. To evaluated the surface effect, the defect depth from topmost layer to fifth subsurface are considered with different slab thickness. By checking the spin density distribution and electronic structure, the hydrogen vacancy in H-terminated surface exhibit a spin-1/2 center with a 0/-1 transition level located in the middle of band gap. The -1/-2 transition level of carbon vacancy in the subsurface approaches the 0/-1 transition level implying the potential stability of spin-1 center. The work was supported by an AFOSR MURI.

  5. Oxygen vacancies in LiAl O2 crystals

    NASA Astrophysics Data System (ADS)

    Holston, M. S.; Ferguson, I. P.; McClory, J. W.; Giles, N. C.; Halliburton, L. E.

    2015-10-01

    Singly ionized oxygen vacancies are produced in LiAl O2 crystals by direct displacement events during a neutron irradiation. These vacancies, with one trapped electron, are referred to as VO+ centers. They are identified and characterized using electron paramagnetic resonance (EPR) and optical absorption. The EPR spectrum from the VO+ centers is best monitored near 100 K with low microwave power. When the magnetic field is along the [001] direction, this spectrum has a g value of 2.0030 and well-resolved hyperfine interactions of 310 and 240 MHz with the two 27Al nuclei that are adjacent to the oxygen vacancy. A second EPR spectrum, also showing hyperfine interactions with two 27Al nuclei, is attributed to a metastable state of the VO+ center. An optical absorption band peaking near 238 nm is assigned to VO+ centers. Bleaching light from a Hg lamp converts a portion of the VO+ centers to VO0 centers (these latter centers are oxygen vacancies with two trapped electrons). The VO0 centers have an absorption band peaking near 272 nm, a photoluminescence band peaking near 416 nm, and a photoluminescence excitation band peaking near 277 nm. Besides the oxygen-vacancy EPR spectra, a holelike spectrum with a resolved, but smaller, hyperfine interaction with one 27Al nucleus is present in LiAl O2 after the neutron irradiation. This spectrum is tentatively assigned to doubly ionized aluminum vacancies.

  6. Rescuing Ecosystems from Extinction Cascades

    NASA Astrophysics Data System (ADS)

    Sahasrabudhe, Sagar; Motter, Adilson

    2010-03-01

    Food web perturbations stemming from climate change, overexploitation, invasive species, and natural disasters often cause an initial loss of species that results in a cascade of secondary extinctions. Using a predictive modeling framework, here we will present a systematic network-based approach to reduce the number of secondary extinctions. We will show that the extinction of one species can often be compensated by the concurrent removal of a second specific species, which is a counter-intuitive effect not previously tested in complex food webs. These compensatory perturbations frequently involve long-range interactions that are not a priori evident from local predator-prey relationships. Strikingly, in numerous cases even the early removal of a species that would eventually be extinct by the cascade is found to significantly reduce the number of cascading extinctions. Other nondestructive interventions based on partial removals and growth suppression and/or mortality increase are shown to sometimes prevent all secondary extinctions.

  7. Autoregressive cascades on random networks

    NASA Astrophysics Data System (ADS)

    Iyer, Srikanth K.; Vaze, Rahul; Narasimha, Dheeraj

    2016-04-01

    A network cascade model that captures many real-life correlated node failures in large networks via load redistribution is studied. The considered model is well suited for networks where physical quantities are transmitted, e.g., studying large scale outages in electrical power grids, gridlocks in road networks, and connectivity breakdown in communication networks, etc. For this model, a phase transition is established, i.e., existence of critical thresholds above or below which a small number of node failures lead to a global cascade of network failures or not. Theoretical bounds are obtained for the phase transition on the critical capacity parameter that determines the threshold above and below which cascade appears or disappears, respectively, that are shown to closely follow numerical simulation results.

  8. Effect of vacancy defects on generalized stacking fault energy of fcc metals.

    PubMed

    Asadi, Ebrahim; Zaeem, Mohsen Asle; Moitra, Amitava; Tschopp, Mark A

    2014-03-19

    Molecular dynamics (MD) and density functional theory (DFT) studies were performed to investigate the influence of vacancy defects on generalized stacking fault (GSF) energy of fcc metals. MEAM and EAM potentials were used for MD simulations, and DFT calculations were performed to test the accuracy of different common parameter sets for MEAM and EAM potentials in predicting GSF with different fractions of vacancy defects. Vacancy defects were placed at the stacking fault plane or at nearby atomic layers. The effect of vacancy defects at the stacking fault plane and the plane directly underneath of it was dominant compared to the effect of vacancies at other adjacent planes. The effects of vacancy fraction, the distance between vacancies, and lateral relaxation of atoms on the GSF curves with vacancy defects were investigated. A very similar variation of normalized SFEs with respect to vacancy fractions were observed for Ni and Cu. MEAM potentials qualitatively captured the effect of vacancies on GSF. PMID:24589571

  9. Nanowire terahertz quantum cascade lasers

    SciTech Connect

    Grange, Thomas

    2014-10-06

    Quantum cascade lasers made of nanowire axial heterostructures are proposed. The dissipative quantum dynamics of their carriers is theoretically investigated using non-equilibrium Green functions. Their transport and gain properties are calculated for varying nanowire thickness, from the classical-wire regime to the quantum-wire regime. Our calculation shows that the lateral quantum confinement provided by the nanowires allows an increase of the maximum operation temperature and a strong reduction of the current density threshold compared to conventional terahertz quantum cascade lasers.

  10. Cascaded target normal sheath acceleration

    SciTech Connect

    Wang, W. P.; Shen, B. F.; Zhang, X. M.; Wang, X. F.; Xu, J. C.; Zhao, X. Y.; Yu, Y. H.; Yi, L. Q.; Shi, Y.; Zhang, L. G.; Xu, T. J.; Xu, Z. Z.

    2013-11-15

    A cascaded target normal sheath acceleration (TNSA) scheme is proposed to simultaneously increase energy and improve energy spread of a laser-produced mono-energetic proton beam. An optimum condition that uses the maximum sheath field to accelerate the center of the proton beam is theoretically found and verified by two-dimensional particle-in-cell simulations. An initial 10 MeV proton beam is accelerated to 21 MeV with energy spread decreased from 5% to 2% under the optimum condition during the process of the cascaded TNSA. The scheme opens a way to scale proton energy lineally with laser energy.

  11. Shallow halogen vacancies in halide optoelectronic materials

    DOE PAGESBeta

    Shi, Hongliang; Du, Mao -Hua

    2014-11-05

    Halogen vacancies (VH) are usually deep color centers (F centers) in halides and can act as major electron traps or recombination centers. The deep VH contributes to the typically poor carrier transport properties in halides. However, several halides have recently emerged as excellent optoelectronic materials, e.g., CH3NH3PbI3 and TlBr. Both CH3NH3PbI3 and TlBr have been found to have shallow VH, in contrast to commonly seen deep VH in halides. In this paper, several halide optoelectronic materials, i.e., CH3NH3PbI3, CH3NH3SnI3 (photovoltaic materials), TlBr, and CsPbBr3, (gamma-ray detection materials) are studied to understand the material chemistry and structure that determine whether VHmore » is a shallow or deep defect in a halide material. It is found that crystal structure and chemistry of ns2 ions both play important roles in creating shallow VH in halides such as CH3NH3PbI3, CH3NH3SnI3, and TlBr. The key to identifying halides with shallow VH is to find the right crystal structures and compounds that suppress cation orbital hybridization at VH, such as those with long cation-cation distances and low anion coordination numbers, and those with crystal symmetry that prevents strong hybridization of cation dangling bond orbitals at VH. Furthermore, the results of this paper provide insight and guidance to identifying halides with shallow VH as good electronic and optoelectronic materials.« less

  12. Shallow halogen vacancies in halide optoelectronic materials

    NASA Astrophysics Data System (ADS)

    Shi, Hongliang; Du, Mao-Hua

    2014-11-01

    Halogen vacancies (VH ) are usually deep color centers (F centers) in halides and can act as major electron traps or recombination centers. The deep VH contributes to the typically poor carrier transport properties in halides. However, several halides have recently emerged as excellent optoelectronic materials, e.g., C H3N H3Pb I3 and TlBr. Both C H3N H3Pb I3 and TlBr have been found to have shallow VH , in contrast to commonly seen deep VH in halides. In this paper, several halide optoelectronic materials, i.e., C H3N H3Pb I3 , C H3N H3Sn I3 (photovoltaic materials), TlBr, and CsPbB r3 (gamma-ray detection materials) are studied to understand the material chemistry and structure that determine whether VH is a shallow or deep defect in a halide material. It is found that crystal structure and chemistry of n s2 ions both play important roles in creating shallow VH in halides such as C H3N H3Pb I3 , C H3N H3Sn I3 , and TlBr. The key to identifying halides with shallow VH is to find the right crystal structures and compounds that suppress cation orbital hybridization at VH , such as those with large cation-cation distances and low anion coordination numbers and those with crystal symmetry that prevents strong hybridization of cation dangling bond orbitals at VH . The results of this paper provide insight and guidance to identifying halides with shallow VH as good electronic and optoelectronic materials.

  13. Formation energies and electronic structure of intrinsic vacancy defects and oxygen vacancy clustering in BaZrO3.

    PubMed

    Muhammad Alay-E-Abbas, Syed; Nazir, Safdar; Shaukat, Ali

    2016-08-24

    Ab initio density functional theory calculations are employed for exploring the thermodynamic stability, vacancy defect formation energy and electronic structure of pristine and non-stoichiometric BaZrO3. The electronic properties of BaZrO3 show the hole-doped and insulating nature of cation and oxygen vacancies, respectively. The changes in the electronic properties of intrinsic vacancy containing BaZrO3 are analyzed in terms of electronic band structure, charge density and effective Bader charges. The relative stability of the formation of charge neutral and fully charged intrinsic vacancy defects in BaZrO3 is investigated in different chemical growth environments and the full and partial Schottky reactions are computed. Calculations are also performed to study the effects of oxygen vacancy clustering in different crystallographic planes. These calculations enable us to predict n-type conductivity in non-stoichiometric BaZrO3, which is useful for tailoring the electrical conduction of this material. Our results suggest that the semiconducting, p- and n-type character of BaZrO3 can be realized to enhance its device application by means of intentional incorporation of vacancy defects. PMID:27514742

  14. One-dimensional fast migration of vacancy clusters in metals

    SciTech Connect

    Matsukawa, Yoshitaka; Zinkle, Steven J

    2007-01-01

    The migration of point defects, e.g. crystal lattice vacancies and self-interstitial atoms (SIAs), typically occurs through three-dimensional (3-D) random walk. However, when vacancies and SIAs agglomerate with like defects forming clusters, the migration mode may change. Recently, atomic-scale computer simulations using molecular dynamics (MD) codes have reported that nanometer-sized two-dimensional (2-D) clusters of SIAs exhibit one-dimensional (1-D) fast migration1-7. The 1-D migration mode transports the entire cluster containing several tens of SIAs with a mobility comparable to single SIAs3. This anisotropic migration of SIA clusters can have a significant impact on the evolution of a material fs neutron-irradiation damage microstructure, which dominates the material fs lifetime in nuclear reactor environments8-9. This is also proposed to be a key physical mechanism for the self-organization of nanometer-sized sessile vacancy cluster arrays10-13. Given these findings for SIA clusters, a fundamental question is whether the 1-D migration mode is also possible for 2-D clusters of vacancies. Preceding MD results predicted that 1-D migration of vacancy clusters is possible in body-centered cubic (bcc) iron, but not in face-centered cubic (fcc) copper2. Previous experimental studies have reported 1-D migration of SIA clusters14, but there have been no observations of 1-D vacancy cluster migration. Here we present the first experimental transmission electron microscopy (TEM) dynamic observation demonstrating the 1-D migration of vacancy clusters in fcc gold. It was found that the mobility of the vacancy clusters via the 1-D migration is much higher than single vacancies via 3-D random walk and comparable to single SIAs via 3-D random walk. Hence, the mobility of the glissile clusters is not associated with the character of their constituent point defects. Dynamic conversion of a planar vacancy loop into a 3-D stacking fault tetrahedron geometry was also observed.

  15. Characteristics for two kinds of cascading events

    NASA Astrophysics Data System (ADS)

    Zou, Sheng-Rong; Gu, Ai-Hua; Liu, Ai-Fen; Xu, Xiu-Lian; Wang, Jian; He, Da-Ren

    2011-04-01

    Avalanche or cascade failure is ubiquitous. We first classify the cascading phenomena into two categories: the cascading disasters which result in large-scale functional failures and the cascading events that do not lead to disasters. We elucidate that two important factors, the increasing amount of events and the acceleration of event frequency, can induce the crossover from the cascading phenomenon to the cascading disaster. Through a simplified sandpile model and a heuristic logistic map, we demonstrate that the dependence of the event number on the observation time behaves as a power-law and as an exponential for these two different cascading events, respectively. The analytic derivations are found to be consistent with several empirical observations. Our present findings contribute to the understanding of the transition between different cascading events, providing a basis for the further understanding of the transitions among more general critical events.

  16. Engineering Light: Quantum Cascade Lasers

    ScienceCinema

    Claire Gmachl

    2010-09-01

    Quantum cascade lasers are ideal for environmental sensing and medical diagnostic applications. Gmachl discusses how these lasers work, and their applications, including their use as chemical trace gas sensors. As examples of these applications, she briefly presents results from her field campaign at the Beijing Olympics, and ongoing campaigns in Texas, Maryland, and Ghana.

  17. Applications of cascade multilevel inverters.

    PubMed

    Peng, Fang-zen; Qian, Zhao-ming

    2003-01-01

    Cascade multilevel inverters have been developed for electric utility applications. A cascade M-level inverter consists of (M-1)/2 H-bridges in which each bridge's dc voltage is supported by its own dc capacitor. The new inverter can: (1) generate almost sinusoidal waveform voltage while only switching one time per fundamental cycle; (2) dispense with multi-pulse inverters' transformers used in conventional utility interfaces and static var compensators; (3) enables direct parallel or series transformer-less connection to medium- and high-voltage power systems. In short, the cascade inverter is much more efficient and suitable for utility applications than traditional multi-pulse and pulse width modulation (PWM) inverters. The authors have experimentally demonstrated the superiority of the new inverter for power supply, (hybrid) electric vehicle (EV) motor drive, reactive power (var) and harmonic compensation. This paper summarizes the features, feasibility, and control schemes of the cascade inverter for utility applications including utility interface of renewable energy, voltage regulation, var compensation, and harmonic filtering in power systems. Analytical, simulated, and experimental results demonstrated the superiority of the new inverters. PMID:14566981

  18. Detecting neighborhood vacancy level in Detroit city using remote sensing

    NASA Astrophysics Data System (ADS)

    Li, X.; Wang, R.; Yang, A.; Vojnovic, I.

    2015-12-01

    With the decline of manufacturing industries, many Rust Belt cities, which enjoyed prosperity in the past, are now suffering from financial stress, population decrease and urban poverty. As a consequence, urban neighborhoods deteriorate. Houses are abandoned and left to decay. Neighborhood vacancy brings on many problems. Governments and agencies try to survey the vacancy level by going through neighborhoods and record the condition of each structure, or by buying information of active mailing addresses to get approximate neighborhood vacancy rate. But these methods are expensive and time consuming. Remote sensing provides a quick and comparatively cost-efficient way to access spatial information on social and demographical attributes of urban area. In our study, we use remote sensing to detect a major aspect of neighborhood deterioration, the vacancy levels of neighborhoods in Detroit city. We compared different neighborhoods using Landsat 8 images in 2013. We calculated NDVI that indicates the greenness of neighborhoods with the image in July 2013. Then we used thermal infrared information from image in February to detect human activities. In winter, abandoned houses will not consume so much energy and therefore neighborhoods with more abandoned houses will have smaller urban heat island effect. Controlling for the differences in terms of the greenness obtained from summer time image, we used thermal infrared from winter image to determine the temperatures of urban surface. We find that hotter areas are better maintained and have lower house vacancy rates. We also compared the changes over time for neighborhoods using Landsat 7 images from 2003 to 2013. The results show that deteriorated neighborhoods have increased NDVI in summer and get colder in winter due to abandonment of houses. Our results show the potential application of remote sensing as an easily accessed and efficient way to obtain data about social conditions in cities. We used the neighborhood

  19. Freely-migrating defects: Their production and interaction with cascade remnants

    SciTech Connect

    Rehn, L.E.; Wiedersich, H.

    1991-05-01

    Many microstructural changes that occur during irradiation are driven primarily by freely-migrating defects, i.e. those defects which escape from nascent cascades to migrate over distances that are large relative to typical cascade dimensions. Several measurements during irradiation at elevated temperatures have shown that the survival rate of freely-migrating defects decreases much more strongly with increasing primary recoil energy than does the survival rate for defects generated at liquid helium temperatures. For typical fission or fusion recoil spectra, and for heavy-ion bombardment, the fraction of defects that migrate long-distances is apparently only {approximately}1% of the calculated dpa. This small surviving fraction of freely-migrating defects results at least partially from additional intracascade recombination at elevated temperatures. However, cascade remnants, e.g., vacancy and interstitial clusters, also contribute by enhancing intercascade defect annihilation. A recently developed rate-theory approach is used to discuss the relative importance of intra- and intercascade recombination to the survival rate of freely-migrating defects. Within the validity of certain simplifying assumptions, the additional sink density provided by defect clusters produced directly within individual cascades can explain the difference between a defect survival rate of about 30% for low dose, low temperature irradiations with heavy ions, and a survival rate of only {approximately}1% for freely-migrating defects at elevated temperatures. The status of our current understanding of freely-migrating defects, including remaining unanswered questions, is also discussed. 33 refs., 5 figs.

  20. PANEL CODE FOR PLANAR CASCADES

    NASA Technical Reports Server (NTRS)

    Mcfarland, E. R.

    1994-01-01

    The Panel Code for Planar Cascades was developed as an aid for the designer of turbomachinery blade rows. The effective design of turbomachinery blade rows relies on the use of computer codes to model the flow on blade-to-blade surfaces. Most of the currently used codes model the flow as inviscid, irrotational, and compressible with solutions being obtained by finite difference or finite element numerical techniques. While these codes can yield very accurate solutions, they usually require an experienced user to manipulate input data and control parameters. Also, they often limit a designer in the types of blade geometries, cascade configurations, and flow conditions that can be considered. The Panel Code for Planar Cascades accelerates the design process and gives the designer more freedom in developing blade shapes by offering a simple blade-to-blade flow code. Panel, or integral equation, solution techniques have been used for several years by external aerodynamicists who have developed and refined them into a primary design tool of the aircraft industry. The Panel Code for Planar Cascades adapts these same techniques to provide a versatile, stable, and efficient calculation scheme for internal flow. The code calculates the compressible, inviscid, irrotational flow through a planar cascade of arbitrary blade shapes. Since the panel solution technique is for incompressible flow, a compressibility correction is introduced to account for compressible flow effects. The analysis is limited to flow conditions in the subsonic and shock-free transonic range. Input to the code consists of inlet flow conditions, blade geometry data, and simple control parameters. Output includes flow parameters at selected control points. This program is written in FORTRAN IV for batch execution and has been implemented on an IBM 370 series computer with a central memory requirement of approximately 590K of 8 bit bytes. This program was developed in 1982.

  1. Critical transitions in colliding cascades

    PubMed

    Gabrielov; Keilis-Borok; Zaliapin; Newman

    2000-07-01

    We consider here the interaction of direct and inverse cascades in a hierarchical nonlinear system that is continuously loaded by external forces. The load is applied to the largest element and is transferred down the hierarchy to consecutively smaller elements, thereby forming a direct cascade. The elements of the system fail (i. e., break down) under the load. The smallest elements fail first. The failures gradually expand up the hierarchy to the larger elements, thus forming an inverse cascade. Eventually the failures heal, ensuring that the system will function indefinitely. The direct and inverse cascades collide and interact. Loading triggers the failures, while failures release and redistribute the load. Notwithstanding its relative simplicity, this model reproduces the major dynamical features observed in seismicity, including the seismic cycle, intermittence of seismic regime, power-law energy distribution, clustering in space and time, long-range correlations, and a set of seismicity patterns premonitory to a strong earthquake. In this context, the hierarchical structure of the model crudely imitates a system of tectonic blocks spread by a network of faults (note that the behavior of such a network is different from that of a single fault). Loading mimics the impact of tectonic forces, and failures simulate earthquakes. The model exhibits three basic types of premonitory pattern reflecting seismic activity, clustering of earthquakes in space and time, and the range of correlation between the earthquakes. The colliding-cascade model seemingly exhibits regularities that are common in a wide class of complex hierarchical systems, not necessarily Earth specific. PMID:11088457

  2. Shallow halogen vacancies in halide optoelectronic materials

    SciTech Connect

    Shi, Hongliang; Du, Mao -Hua

    2014-11-05

    Halogen vacancies (VH) are usually deep color centers (F centers) in halides and can act as major electron traps or recombination centers. The deep VH contributes to the typically poor carrier transport properties in halides. However, several halides have recently emerged as excellent optoelectronic materials, e.g., CH3NH3PbI3 and TlBr. Both CH3NH3PbI3 and TlBr have been found to have shallow VH, in contrast to commonly seen deep VH in halides. In this paper, several halide optoelectronic materials, i.e., CH3NH3PbI3, CH3NH3SnI3 (photovoltaic materials), TlBr, and CsPbBr3, (gamma-ray detection materials) are studied to understand the material chemistry and structure that determine whether VH is a shallow or deep defect in a halide material. It is found that crystal structure and chemistry of ns2 ions both play important roles in creating shallow VH in halides such as CH3NH3PbI3, CH3NH3SnI3, and TlBr. The key to identifying halides with shallow VH is to find the right crystal structures and compounds that suppress cation orbital hybridization at VH, such as those with long cation-cation distances and low anion coordination numbers, and those with crystal symmetry that prevents strong hybridization of cation dangling bond orbitals at VH. Furthermore, the results of this paper provide insight and guidance to identifying halides with shallow VH as good electronic and optoelectronic materials.

  3. Atomic vacancies significantly degrade the mechanical properties of phosphorene

    NASA Astrophysics Data System (ADS)

    Sha, Zhen-Dong; Pei, Qing-Xiang; Zhang, Ying-Yan; Zhang, Yong-Wei

    2016-08-01

    Due to low formation energies, it is very easy to create atomic defects in phosphorene during its fabrication process. How these atomic defects affect its mechanical behavior, however, remain unknown. Here, we report on a systematic study of the effect of atomic vacancies on the mechanical properties and failure behavior of phosphorene using molecular dynamics simulations. It is found that atomic vacancies induce local stress concentration and cause early bond-breaking, leading to a significant degradation of the mechanical properties of the material. More specifically, a 2% concentration of randomly distributed mono-vacancies is able to reduce the fracture strength by ∼40%. An increase in temperature from 10 to 400 K can further deteriorate the fracture strength by ∼60%. The fracture strength of defective phosphorene is also found to be affected by defect distribution. When the defects are patterned in a line, the reduction in fracture strength greatly depends on the tilt angle and the loading direction. Furthermore, we find that di-vacancies cause an even larger reduction in fracture strength than mono-vacancies when the loading is in an armchair direction. These findings provide important guidelines for the structural design of phosphorene in future applications.

  4. Atomic vacancies significantly degrade the mechanical properties of phosphorene.

    PubMed

    Sha, Zhen-Dong; Pei, Qing-Xiang; Zhang, Ying-Yan; Zhang, Yong-Wei

    2016-08-01

    Due to low formation energies, it is very easy to create atomic defects in phosphorene during its fabrication process. How these atomic defects affect its mechanical behavior, however, remain unknown. Here, we report on a systematic study of the effect of atomic vacancies on the mechanical properties and failure behavior of phosphorene using molecular dynamics simulations. It is found that atomic vacancies induce local stress concentration and cause early bond-breaking, leading to a significant degradation of the mechanical properties of the material. More specifically, a 2% concentration of randomly distributed mono-vacancies is able to reduce the fracture strength by ∼40%. An increase in temperature from 10 to 400 K can further deteriorate the fracture strength by ∼60%. The fracture strength of defective phosphorene is also found to be affected by defect distribution. When the defects are patterned in a line, the reduction in fracture strength greatly depends on the tilt angle and the loading direction. Furthermore, we find that di-vacancies cause an even larger reduction in fracture strength than mono-vacancies when the loading is in an armchair direction. These findings provide important guidelines for the structural design of phosphorene in future applications. PMID:27345189

  5. Chemical expansion affected oxygen vacancy stability in different oxide structures from first principles calculations

    SciTech Connect

    Aidhy, Dilpuneet S.; Liu, Bin; Zhang, Yanwen; Weber, William J.

    2015-01-21

    We study the chemical expansion for neutral and charged oxygen vacancies in fluorite, rocksalt, perovskite and pyrochlores materials using first principles calculations. We show that the neutral oxygen vacancy leads to lattice expansion whereas the charged vacancy leads to lattice contraction. In addition, we show that there is a window of strain within which an oxygen vacancy is stable; beyond that range, the vacancy can become unstable. Using CeO2|ZrO2 interface structure as an example, we show that the concentration of oxygen vacancies can be manipulated via strain, and the vacancies can be preferentially stabilized. Furthermore, these results could serve as guiding principles in predicting oxygen vacancy stability in strained systems and in the design of vacancy stabilized materials.

  6. Chemical expansion affected oxygen vacancy stability in different oxide structures from first principles calculations

    DOE PAGESBeta

    Aidhy, Dilpuneet S.; Liu, Bin; Zhang, Yanwen; Weber, William J.

    2015-01-21

    We study the chemical expansion for neutral and charged oxygen vacancies in fluorite, rocksalt, perovskite and pyrochlores materials using first principles calculations. We show that the neutral oxygen vacancy leads to lattice expansion whereas the charged vacancy leads to lattice contraction. In addition, we show that there is a window of strain within which an oxygen vacancy is stable; beyond that range, the vacancy can become unstable. Using CeO2|ZrO2 interface structure as an example, we show that the concentration of oxygen vacancies can be manipulated via strain, and the vacancies can be preferentially stabilized. Furthermore, these results could serve asmore » guiding principles in predicting oxygen vacancy stability in strained systems and in the design of vacancy stabilized materials.« less

  7. Dynamics of vacancies in two-dimensional Lennard-Jones crystals

    NASA Astrophysics Data System (ADS)

    Yao, Zhenwei; de la Cruz, Monica Olvera

    2014-12-01

    Vacancies represent an important class of crystallographic defects, and their behaviors can be strongly coupled with relevant material properties. In this work, we study the dynamics of generic n -point vacancies in two-dimensional Lennard-Jones crystals in several thermodynamic states. Simulations reveal the spectrum of distinct, size-dependent vacancy dynamics, including the nonmonotonously varying diffusive mobilities of one-, two- and three-point vacancies, and several healing routines of linear vacancies. Specifically, we numerically observe significantly faster diffusion of the two-point vacancy that can be attributed to its rotational degree of freedom. The high mobility of the two-point vacancies opens the possibility of doping two-point vacancies into atomic materials to enhance atomic migration. The rich physics of vacancies revealed in this study may have implications in the engineering of defects in extensive crystalline materials for desired properties.

  8. Chemical expansion affected oxygen vacancy stability in different oxide structures from first principles calculations

    SciTech Connect

    Aidhy, Dilpuneet S.; Liu, Bin; Zhang, Yanwen; Weber, William J.

    2015-03-01

    We study the chemical expansion for neutral and charged oxygen vacancies in fluorite, rocksalt, perovskite and pyrochlores materials using first principles calculations. We show that the neutral oxygen vacancy leads to lattice expansion whereas the charged vacancy leads to lattice contraction. In addition, we show that there is a window of strain within which an oxygen vacancy is stable; beyond that range, the vacancy can become unstable. Using CeO2|ZrO2 interface structure as an example, we show that the concentration of oxygen vacancies can be manipulated via strain, and the vacancies can be preferentially stabilized. These results could serve as guiding principles in predicting oxygen vacancy stability in strained systems and in the design of vacancy stabilized materials.

  9. Orbital Reconstruction in a Self-assembled Oxygen Vacancy Nanostructure.

    PubMed

    Jang, H; Kerr, G; Lim, J S; Yang, C-H; Kao, C-C; Lee, J-S

    2015-01-01

    We demonstrate the microscopic role of oxygen vacancies spatially confined within nanometer inter-spacing (about 1 nm) in BiFeO3, using resonant soft X-ray scattering techniques and soft X-ray spectroscopy measurements. Such vacancy confinements and total number of vacancy are controlled by substitution of Ca(2+) for Bi(3+) cation. We found that by increasing the substitution, the in-plane orbital bands of Fe(3+) cations are reconstructed without any redox reaction. It leads to a reduction of the hopping between Fe atoms, forming a localized valence band, in particular Fe 3d-electronic structure, around the Fermi level. This band localization causes to decrease the conductivity of the doped BiFeO3 system. PMID:26213281

  10. Orbital Reconstruction in a Self-assembled Oxygen Vacancy Nanostructure

    PubMed Central

    Jang, H.; Kerr, G.; Lim, J. S.; Yang, C.-H.; Kao, C.-C.; Lee, J.-S.

    2015-01-01

    We demonstrate the microscopic role of oxygen vacancies spatially confined within nanometer inter-spacing (about 1 nm) in BiFeO3, using resonant soft X-ray scattering techniques and soft X-ray spectroscopy measurements. Such vacancy confinements and total number of vacancy are controlled by substitution of Ca2+ for Bi3+ cation. We found that by increasing the substitution, the in-plane orbital bands of Fe3+ cations are reconstructed without any redox reaction. It leads to a reduction of the hopping between Fe atoms, forming a localized valence band, in particular Fe 3d-electronic structure, around the Fermi level. This band localization causes to decrease the conductivity of the doped BiFeO3 system. PMID:26213281

  11. Mechanism of vacancy formation induced by hydrogen in tungsten

    SciTech Connect

    Liu, Yi-Nan; Ahlgren, T.; Bukonte, L.; Nordlund, K.; Shu, Xiaolin; Yu, Yi; Lu, Guang-Hong; Li, Xiao-Chun

    2013-12-15

    We report a hydrogen induced vacancy formation mechanism in tungsten based on classical molecular dynamics simulations. We demonstrate the vacancy formation in tungsten due to the presence of hydrogen associated directly with a stable hexagonal self-interstitial cluster as well as a linear crowdion. The stability of different self-interstitial structures has been further studied and it is particularly shown that hydrogen plays a crucial role in determining the configuration of SIAs, in which the hexagonal cluster structure is preferred. Energetic analysis has been carried out to prove that the formation of SIA clusters facilitates the formation of vacancies. Such a mechanism contributes to the understanding of the early stage of the hydrogen blistering in tungsten under a fusion reactor environment.

  12. Orbital reconstruction in a self-assembled oxygen vacancy nanostructure

    DOE PAGESBeta

    Jang, H.; Kerr, G.; Lim, J. S.; Yang, C. -H.; Kao, C. -C.; Lee, J. -S.

    2015-07-27

    We demonstrate the microscopic role of oxygen vacancies spatially confined within nanometer inter-spacing (about 1nm) in BiFeO₃, using resonant soft X-ray scattering techniques and soft X-ray spectroscopy measurements. Such vacancy confinements and total number of vacancy are controlled by substitution of Ca²⁺ for Bi³⁺ cation. We found that by increasing the substitution, the in-plane orbital bands of Fe³⁺ cations are reconstructed without any redox reaction. It leads to a reduction of the hopping between Fe atoms, forming a localized valence band, in particular Fe 3d-electronic structure, around the Fermi level. This band localization causes to decrease the conductivity of themore » doped BiFeO₃ system.« less

  13. Orbital reconstruction in a self-assembled oxygen vacancy nanostructure

    SciTech Connect

    Jang, H.; Kerr, G.; Lim, J. S.; Yang, C. -H.; Kao, C. -C.; Lee, J. -S.

    2015-07-27

    We demonstrate the microscopic role of oxygen vacancies spatially confined within nanometer inter-spacing (about 1nm) in BiFeO₃, using resonant soft X-ray scattering techniques and soft X-ray spectroscopy measurements. Such vacancy confinements and total number of vacancy are controlled by substitution of Ca²⁺ for Bi³⁺ cation. We found that by increasing the substitution, the in-plane orbital bands of Fe³⁺ cations are reconstructed without any redox reaction. It leads to a reduction of the hopping between Fe atoms, forming a localized valence band, in particular Fe 3d-electronic structure, around the Fermi level. This band localization causes to decrease the conductivity of the doped BiFeO₃ system.

  14. Vacancy-rearrangement theory in the first Magnus approximation

    SciTech Connect

    Becker, R.L.

    1984-01-01

    In the present paper we employ the first Magnus approximation (M1A), a unitarized Born approximation, in semiclassical collision theory. We have found previously that the M1A gives a substantial improvement over the first Born approximation (B1A) and can give a good approximation to a full coupled channels calculation of the mean L-shell vacancy probability per electron, p/sub L/, when the L-vacancies are accompanied by a K-shell vacancy (p/sub L/ is obtained experimentally from measurements of K/sub ..cap alpha../-satellite intensities). For sufficiently strong projectile-electron interactions (sufficiently large Z/sub p/ or small v) the M1A ceases to reproduce the coupled channels results, but it is accurate over a much wider range of Z/sub p/ and v than the B1A. 27 references.

  15. Dopant-mediated oxygen vacancy tuning in ceria nanoparticles.

    PubMed

    Babu, Suresh; Thanneeru, Ranjith; Inerbaev, Talgat; Day, Richard; Masunov, Artëm E; Schulte, Alfons; Seal, Sudipta

    2009-02-25

    Ceria nanoparticles with 20 and 40 at.% RE (RE = Y, Sm, Gd, and Yb) dopants were synthesized through a microemulsion method. Independently of the dopant nature and concentration, nearly monodispersed nanoparticles of size 3-5 nm were observed in high resolution transmission electron microscopic analysis. The ceria lattice either expands or contracts depending on the dopant cation ionic radii, as indicated by x-ray diffraction studies. X-ray photoelectron and Raman spectroscopic studies were used to quantify the cerium oxidation state and oxygen vacancy concentration. The results show the tunability of the oxygen vacancy and Ce(3+) concentrations based on the dopant properties. First principles simulations using the free energy density functional theory method support the observed experimental trends. The reported results establish a relationship between the oxygen vacancies and oxidation states in doped ceria required for tailoring properties in catalytic and biomedical applications. PMID:19417474

  16. Electronic Structures of Clusters of Hydrogen Vacancies on Graphene

    PubMed Central

    Wu, Bi-Ru; Yang, Chih-Kai

    2015-01-01

    Hydrogen vacancies in graphane are products of incomplete hydrogenation of graphene. The missing H atoms can alter the electronic structure of graphane and therefore tune the electronic, magnetic, and optical properties of the composite. We systematically studied a variety of well-separated clusters of hydrogen vacancies in graphane, including the geometrical shapes of triangles, parallelograms, hexagons, and rectangles, by first-principles density functional calculation. The results indicate that energy levels caused by the missing H are generated in the broad band gap of pure graphane. All triangular clusters of H vacancies are magnetic, the larger the triangle the higher the magnetic moment. The defect levels introduced by the missing H in triangular and parallelogram clusters are spin-polarized and can find application in optical transition. Parallelograms and open-ended rectangles are antiferromagnetic and can be used for nanoscale registration of digital information. PMID:26468677

  17. Applying Density Functional Theory for Atomic Vacancies in Solids

    NASA Astrophysics Data System (ADS)

    Zhou, Xiaolan; Perdew, John P.

    2008-03-01

    We use a new generalized gradient approximation of density functional theory -- PBEsol, a revised Perdew-Burke-Ernzerhof GGA, to calculate the vacancy formation energies and other properties of metals and semiconductors: Al, Pt, Pd, GaN [1], etc. By restoring the gradient expansion over a wide range of density gradients, PBEsol [2] yields excellent jellium exchange and correlation surface energies. We expect that this new functional will improve the description of vacancies in real materials, since the vacancy formation energy is essentially the work needed to create an interior surface. [1] Thomas R.Mattsson and Ann E. Mattson. Phys. Rev. B 66, 214410 (2002). [2] John P. Perdew, Adrienn Ruzsinszky, Gabor I. Csonka, Oleg A. Vydrov, Gustavo E. Scuseria, Lucian A. Constantin, Xiaolan Zhou, and Kieron Burke, Restoring the density-gradient expansion for exchange in solids and surfaces, http://arxiv.org/abs/0711.0156

  18. Migration of Vacancies, He Interstitials and He-Vacancy Clusters at Grain Boundaries in alpha-Fe

    SciTech Connect

    Gao, Fei; Heinisch, Howard L.; Kurtz, Richard J.

    2009-04-30

    he dimer method for searching transition states has been used to systematically study possible migration paths of vacancies, He interstitials and He-vacancy (He/V) clusters at sigma11<110> {323} and sigma3<110> {111} grain boundaries (GBs) in alpha-Fe. Vacancies trapped at the GBs diffuse along the GBs with migration energies much less than that within the perfect crystal. Long-time dynamics simulations of diffusion pathways reveal that vacancies migrate one-dimensionally along specific directions in both GBs: directly along close-packed rows in the sigma3 GB, and in zigzag paths within the sigma11 GB. Also, dimer saddle point searches show that He interstitials can diffuse along the GBs with migration energies of 0.4-0.5 eV, similar to those of individual vacancies at the GBs, and the corresponding mechanisms are determined. The rate-controlling activation energy for migration of a He-divacancy cluster in the GBs determined using the dimer method is about 0.9 eV. This is comparable to the migration energy for a He-divacancy cluster in bulk alpha-Fe.

  19. Origin of Nanobubbles Electrochemically Formed in a Magnetic Field: Ionic Vacancy Production in Electrode Reaction

    NASA Astrophysics Data System (ADS)

    Aogaki, Ryoichi; Sugiyama, Atsushi; Miura, Makoto; Oshikiri, Yoshinobu; Miura, Miki; Morimoto, Ryoichi; Takagi, Satoshi; Mogi, Iwao; Yamauchi, Yusuke

    2016-07-01

    As a process complementing conventional electrode reactions, ionic vacancy production in electrode reaction was theoretically examined; whether reaction is anodic or cathodic, based on the momentum conservation by Newton’s second law of motion, electron transfer necessarily leads to the emission of original embryo vacancies, and dielectric polarization endows to them the same electric charge as trans- ferred in the reaction. Then, the emitted embryo vacancies immediately receive the thermal relaxation of solution particles to develop steady-state vacancies. After the vacancy production, nanobubbles are created by the collision of the vacancies in a vertical magnetic field.

  20. Origin of Nanobubbles Electrochemically Formed in a Magnetic Field: Ionic Vacancy Production in Electrode Reaction

    PubMed Central

    Aogaki, Ryoichi; Sugiyama, Atsushi; Miura, Makoto; Oshikiri, Yoshinobu; Miura, Miki; Morimoto, Ryoichi; Takagi, Satoshi; Mogi, Iwao; Yamauchi, Yusuke

    2016-01-01

    As a process complementing conventional electrode reactions, ionic vacancy production in electrode reaction was theoretically examined; whether reaction is anodic or cathodic, based on the momentum conservation by Newton’s second law of motion, electron transfer necessarily leads to the emission of original embryo vacancies, and dielectric polarization endows to them the same electric charge as trans- ferred in the reaction. Then, the emitted embryo vacancies immediately receive the thermal relaxation of solution particles to develop steady-state vacancies. After the vacancy production, nanobubbles are created by the collision of the vacancies in a vertical magnetic field. PMID:27377532

  1. First-Principles Study of the Geometric and Electronic Structures of Zinc Ferrite with Vacancy Defect

    NASA Astrophysics Data System (ADS)

    Yao, Jinhuan; Li, Yanwei; Li, Xuanhai; Zhu, Xiaodong

    2016-04-01

    The effects of Zn-vacancy (Zn7Fe16O32), Fe-vacancy (Zn8Fe15O32), and O-vacancy (Zn8Fe16O31) on the geometric and electronic structures of normal spinel ZnFe2O4 (Zn8Fe16O32) are studied by using a first-principles method based on density functional theory (DFT) at a generalized gradient approximation (GGA) level. Compared with perfect ZnFe2O4, the lattice parameters of ZnFe2O4 with Zn-vacancy or Fe-vacancy increase slightly, while the lattice parameters of ZnFe2O4 with O-vacancy decrease significantly. All the vacancy defects induce the distortion of the unit cell structure, especially for the O-vacancy. Zn-vacancy, Fe-vacancy, and O-vacancy in ZnFe2O4 cannot be formed spontaneously, but Zn-vacancy is the most prone to form, followed by Fe-vacancy and O-vacancy under the condition of external energy supply. Zn-vacancy, Fe-vacancy, and O-vacancy change the properties of ZnFe2O4 from a semiconducting character to a metallic character. Either ZnFe2O4 or ZnFe2O4 has various vacancy defects, the strength of the O-Zn bond is stronger than that of the O-Fe bond, and both of them have a covalent bond character. Zn-vacancy enhances the strength of O-Fe bonds and slightly weakens the strength of O-Zn bonds around Zn-vacancy. Fe-vacancy induces a significant increase of the strength of O-Fe bonds and O-Zn bonds around Fe-vacancy. O-vacancy leads to a significant decrease in the strength of O-Zn bonds and to a slight increase in the strength of O-Fe bonds around O-vacancy.

  2. Origin of Nanobubbles Electrochemically Formed in a Magnetic Field: Ionic Vacancy Production in Electrode Reaction.

    PubMed

    Aogaki, Ryoichi; Sugiyama, Atsushi; Miura, Makoto; Oshikiri, Yoshinobu; Miura, Miki; Morimoto, Ryoichi; Takagi, Satoshi; Mogi, Iwao; Yamauchi, Yusuke

    2016-01-01

    As a process complementing conventional electrode reactions, ionic vacancy production in electrode reaction was theoretically examined; whether reaction is anodic or cathodic, based on the momentum conservation by Newton's second law of motion, electron transfer necessarily leads to the emission of original embryo vacancies, and dielectric polarization endows to them the same electric charge as trans- ferred in the reaction. Then, the emitted embryo vacancies immediately receive the thermal relaxation of solution particles to develop steady-state vacancies. After the vacancy production, nanobubbles are created by the collision of the vacancies in a vertical magnetic field. PMID:27377532

  3. Effect of vacancy on the sliding of an iron grain boundary

    SciTech Connect

    Zhou, Hong Bo; Liu, Yue Lin; Duan, Chen; Jin, Shuo; Zhang, Ying; Gao, Fei; Shu, Xiaolin; Lu, Guang Hong

    2011-06-01

    We perform a first-principles calculation to investigate the effect of vacancy on the sliding of an iron (Fe) sigma 5 (310) [001] tilt grain boundary (GB). We calculate vacancy formation energies in order to determine the site preference of vacancy at the Fe GB. We show that vacancy can easily segregate to the GB region, which is attributed to special atomic configurations of the GB. We demonstrate that the maximal sliding energy barrier of the GB with monovacancy is 2.78 J/m2, 15% lower than that of the vacancy-free GB, suggesting that the presence of vacancy at the GB increase the GB mobility.

  4. Electronic structure calculations of vacancies and their influence on materials properties

    SciTech Connect

    Sterne, P.A.; Van Ek, J.; Howell, R.H.

    1997-08-01

    We provide two examples to illustrate how electronic structure calculations contribute to our understanding of vacancies and their role in determining material properties. Diffusion and elctromigration in aluminium are known to depend strongly on vacancies. Electronic structure calculations show that the vacancy-impurity interaction oscillates with distance, and this leads to an explanation for both the increased elctromigration resistance and the slow impurity diffusion for copper in aluminium. Calculations of vacancies in plutonium have been used in conjunction with positron annihilation lifetime measurements to identify the presence of helium-filled vacanies. Helium stabilization of vacancies can provide the precursors for subsequent vacancy-related changes in materials properties.

  5. First-Principles Study of the Geometric and Electronic Structures of Zinc Ferrite with Vacancy Defect

    NASA Astrophysics Data System (ADS)

    Yao, Jinhuan; Li, Yanwei; Li, Xuanhai; Zhu, Xiaodong

    2016-07-01

    The effects of Zn-vacancy (Zn7Fe16O32), Fe-vacancy (Zn8Fe15O32), and O-vacancy (Zn8Fe16O31) on the geometric and electronic structures of normal spinel ZnFe2O4 (Zn8Fe16O32) are studied by using a first-principles method based on density functional theory (DFT) at a generalized gradient approximation (GGA) level. Compared with perfect ZnFe2O4, the lattice parameters of ZnFe2O4 with Zn-vacancy or Fe-vacancy increase slightly, while the lattice parameters of ZnFe2O4 with O-vacancy decrease significantly. All the vacancy defects induce the distortion of the unit cell structure, especially for the O-vacancy. Zn-vacancy, Fe-vacancy, and O-vacancy in ZnFe2O4 cannot be formed spontaneously, but Zn-vacancy is the most prone to form, followed by Fe-vacancy and O-vacancy under the condition of external energy supply. Zn-vacancy, Fe-vacancy, and O-vacancy change the properties of ZnFe2O4 from a semiconducting character to a metallic character. Either ZnFe2O4 or ZnFe2O4 has various vacancy defects, the strength of the O-Zn bond is stronger than that of the O-Fe bond, and both of them have a covalent bond character. Zn-vacancy enhances the strength of O-Fe bonds and slightly weakens the strength of O-Zn bonds around Zn-vacancy. Fe-vacancy induces a significant increase of the strength of O-Fe bonds and O-Zn bonds around Fe-vacancy. O-vacancy leads to a significant decrease in the strength of O-Zn bonds and to a slight increase in the strength of O-Fe bonds around O-vacancy.

  6. Bankruptcy Cascades in Interbank Markets

    PubMed Central

    Tedeschi, Gabriele; Mazloumian, Amin; Gallegati, Mauro; Helbing, Dirk

    2012-01-01

    We study a credit network and, in particular, an interbank system with an agent-based model. To understand the relationship between business cycles and cascades of bankruptcies, we model a three-sector economy with goods, credit and interbank market. In the interbank market, the participating banks share the risk of bad debits, which may potentially spread a bank’s liquidity problems through the network of banks. Our agent-based model sheds light on the correlation between bankruptcy cascades and the endogenous economic cycle of booms and recessions. It also demonstrates the serious trade-off between, on the one hand, reducing risks of individual banks by sharing them and, on the other hand, creating systemic risks through credit-related interlinkages of banks. As a result of our study, the dynamics underlying the meltdown of financial markets in 2008 becomes much better understandable. PMID:23300760

  7. Cascade Chaotic System With Applications.

    PubMed

    Zhou, Yicong; Hua, Zhongyun; Pun, Chi-Man; Chen, C L Philip

    2015-09-01

    Chaotic maps are widely used in different applications. Motivated by the cascade structure in electronic circuits, this paper introduces a general chaotic framework called the cascade chaotic system (CCS). Using two 1-D chaotic maps as seed maps, CCS is able to generate a huge number of new chaotic maps. Examples and evaluations show the CCS's robustness. Compared with corresponding seed maps, newly generated chaotic maps are more unpredictable and have better chaotic performance, more parameters, and complex chaotic properties. To investigate applications of CCS, we introduce a pseudo-random number generator (PRNG) and a data encryption system using a chaotic map generated by CCS. Simulation and analysis demonstrate that the proposed PRNG has high quality of randomness and that the data encryption system is able to protect different types of data with a high-security level. PMID:25373135

  8. Bankruptcy cascades in interbank markets.

    PubMed

    Tedeschi, Gabriele; Mazloumian, Amin; Gallegati, Mauro; Helbing, Dirk

    2012-01-01

    We study a credit network and, in particular, an interbank system with an agent-based model. To understand the relationship between business cycles and cascades of bankruptcies, we model a three-sector economy with goods, credit and interbank market. In the interbank market, the participating banks share the risk of bad debits, which may potentially spread a bank's liquidity problems through the network of banks. Our agent-based model sheds light on the correlation between bankruptcy cascades and the endogenous economic cycle of booms and recessions. It also demonstrates the serious trade-off between, on the one hand, reducing risks of individual banks by sharing them and, on the other hand, creating systemic risks through credit-related interlinkages of banks. As a result of our study, the dynamics underlying the meltdown of financial markets in 2008 becomes much better understandable. PMID:23300760

  9. Lens Coupled Quantum Cascade Laser

    NASA Technical Reports Server (NTRS)

    Hu, Qing (Inventor); Lee, Alan Wei Min (Inventor)

    2013-01-01

    Terahertz quantum cascade (QC) devices are disclosed that can operate, e.g., in a range of about 1 THz to about 10 THz. In some embodiments, QC lasers are disclosed in which an optical element (e.g., a lens) is coupled to an output facet of the laser's active region to enhance coupling of the lasing radiation from the active region to an external environment. In other embodiments, terahertz amplifier and tunable terahertz QC lasers are disclosed.

  10. Diffusion of zinc vacancies and interstitials in zinc oxide

    NASA Astrophysics Data System (ADS)

    Erhart, Paul; Albe, Karsten

    2006-05-01

    The self-diffusion coefficient of zinc in ZnO is derived as a function of the chemical potential and Fermi level from first-principles calculations. Density functional calculations in combination with the climbing image-nudged elastic band method are used in order to determine migration barriers for vacancy, interstitial, and interstitialcy jumps. Zinc interstitials preferentially diffuse to second nearest neighbor positions. They become mobile at temperatures as low as 90-130K and therefore allow for rapid defect annealing. Under predominantly oxygen-rich and n-type conditions self-diffusion occurs via a vacancy mechanism.

  11. Tunable resonances due to vacancies in graphene nanoribbons

    NASA Astrophysics Data System (ADS)

    Bahamon, D. A.; Pereira, A. L. C.; Schulz, P. A.

    2010-10-01

    The coherent electron transport along zigzag and metallic armchair graphene nanoribbons in the presence of one or two vacancies is investigated. Having in mind atomic scale tunability of the conductance fingerprints, the primary focus is on the effect of the distance to the edges and intervacancies spacing. An involved interplay of vacancies sublattice location and nanoribbon edge termination, together with the spacing parameters lead to a wide conductance resonance line-shape modification. Turning on a magnetic field introduces a new length scale that unveils counterintuitive aspects of the interplay between purely geometric aspects of the system and the underlying atomic scale nature of graphene.

  12. Vacancy distribution in a rotating solid 4He

    NASA Astrophysics Data System (ADS)

    Pushkarov, D. I.

    2012-03-01

    Vacancy distribution is considered in a rotating solid 4He immersed in a superfluid helium-II. Vacancies are considered as a quasiparticle gas of vacancions with a gap dispersion law. It is shown that the radial distribution depends on Poisson's ratio and practically not on Young's modulus. The treatment is based on a nonlinear theory unifying the elasticity theory equations and a Boltzmann-type transport equation valid for arbitrary angular velocities. The situation simulates, in a sense, the Kim and Chan rotational experiments where nonclassical inertia was observed. The model cannot be applied to solid 3He. We do not presuppose in this work any supersolid fraction.

  13. Vacancy Mediated Mechanism of Nitrogen Substitution in Carbon Nanotubes

    NASA Technical Reports Server (NTRS)

    Srivastava, Deepak; Menon, Madhu; Sadanadan, Bindu; Rao, Apparao M.

    2003-01-01

    Nitrogen substitution reaction in a graphene sheet and carbon nanotubes of different diameter are investigated using the generalized tight-binding molecular dynamics method. The formation of a vacancy in curved graphene sheet or a carbon nanotube is found to cause a curvature dependent local reconstruction of the surface. Our simulations and analysis show that vacancy mediated N substitution (rather than N chemisorption) is favored on the surface of nanotubes with diameter larger than 8 nm. This predicted value of the critical minimum diameter for N incorporation is confirmed by experimental results presented.

  14. Observation of Fluorine-Vacancy Complexes in Silicon

    SciTech Connect

    Jenei, Z; Simpson, P; Robison, R; Asoka-Kumar, P; Law, M

    2004-02-19

    We show direct evidence, obtained by positron annihilation spectroscopy, for the complexing of fluorine with vacancies in silicon. Both float zone and Czochralski silicon wafers were implanted with 30 keV fluorine ions to a fluence of 2x10{sup 14} ions/cm{sup 2}, and studied in the as-implanted condition, and after annealing to 650o C for 10 and for 30 minutes. The ''2-detector'' background reduction technique for positron annihilation was applied. The spectra reveal a significant concentration of fluorine-vacancy complexes after annealing, for both Czochralski and float zone material, supporting the results of computer simulations of the implantation and annealing process.

  15. Molecular dynamics modeling of atomic displacement cascades in 3C-SiC: Comparison of interatomic potentials

    DOE PAGESBeta

    Samolyuk, German D.; Osetskiy, Yury N.; Stoller, Roger E.

    2015-06-03

    We used molecular dynamics modeling of atomic displacement cascades to characterize the nature of primary radiation damage in 3C-SiC. We demonstrated that the most commonly used interatomic potentials are inconsistent with ab initio calculations of defect energetics. Both the Tersoff potential used in this work and a modified embedded-atom method potential reveal a barrier to recombination of the carbon interstitial and carbon vacancy which is much higher than the density functional theory (DFT) results. The barrier obtained with a newer potential by Gao and Weber is closer to the DFT result. This difference results in significant differences in the cascademore » production of point defects. We have completed both 10 keV and 50 keV cascade simulations in 3C-SiC at a range of temperatures. In contrast to the Tersoff potential, the Gao-Weber potential produces almost twice as many C vacancies and interstitials at the time of maximum disorder (~0.2 ps) but only about 25% more stable defects at the end of the simulation. Only about 20% of the carbon defects produced with the Tersoff potential recombine during the in-cascade annealing phase, while about 60% recombine with the Gao-Weber potential.« less

  16. Electron-Injection-Assisted Generation of Oxygen Vacancies in Monoclinic HfO2

    NASA Astrophysics Data System (ADS)

    Bradley, Samuel R.; Shluger, Alexander L.; Bersuker, Gennadi

    2015-12-01

    Understanding the mechanisms of generation of oxygen vacancies in monoclinic (m )-HfO2 is important for improving and controlling its performance as an oxide layer in transistor gate stacks and in resistive random-access memory (RRAM) devices. We use ab initio calculations to investigate the mechanism of formation of Frenkel pairs of oxygen vacancies and interstitial ions in m -HfO2 under electron-injection conditions. The results demonstrate that the formation of stable pairs of neutral oxygen vacancies and interstitial oxygen ions assisted by extra electrons is thermodynamically feasible and requires overcoming activation barriers of less than 1.3 eV at preexisting O vacancies. A preexisting oxygen vacancy can act as an electron trap and facilitate the formation of an O vacancy and O interstitial ion pair nearby. The resulting O divacancy is stabilized by weak attraction between neutral vacancies, further lowering the formation energy of the defect pair. The binding energy per vacancy in larger oxygen-vacancy aggregates increases as the aggregate grows, facilitating the formation of defect pairs next to larger vacancy aggregates. These results are useful for understanding the mechanisms of oxide degradation and electroforming in RRAM cells, which can proceed through creation of new O vacancies in the vicinity of preexisting vacancies complementing vacancy aggregation via diffusion processes.

  17. Cascade Defect Evolution Processes: Comparison of Atomistic Methods

    SciTech Connect

    Xu, Haixuan; Stoller, Roger E; Osetskiy, Yury N

    2013-11-01

    Determining the defect evolution beyond the molecular dynamics (MD) time scale is critical in bridging the gap between atomistic simulations and experiments. The recently developed self-evolving atomistic kinetic Monte Carlo (SEAKMC) method provides new opportunities to simulate long-term defect evolution with MD-like fidelity. In this study, SEAKMC is applied to investigate the cascade defect evolution in bcc iron. First, the evolution of a vacancy rich region is simulated and compared with results obtained using autonomous basin climbing (ABC) +KMC and kinetic activation-relaxation technique (kART) simulations. Previously, it is found the results from kART are orders of magnitude faster than ABC+KMC. The results obtained from SEAKMC are similar to kART but the time predicted is about one order of magnitude faster than kART. The fidelity of SEAKMC is confirmed by statistically relevant MD simulations at multiple higher temperatures, which proves that the saddle point sampling is close to complete in SEAKMC. The second is the irradiation-induced formation of C15 Laves phase nano-size defect clusters. In contrast to previous studies, which claim the defects can grow by capturing self-interstitials, we found these highly stable clusters can transform to <111> glissile configuration on a much longer time scale. Finally, cascade-annealing simulations using SEAKMC is compared with traditional object KMC (OKMC) method. SEAKMC predicts substantially fewer surviving defects compared with OKMC. The possible origin of this difference is discussed and a possible way to improve the accuracy of OKMC based on SEAKMC results is outlined. These studies demonstrate the atomistic fidelity of SEAKMC in comparison with other on-the-fly KMC methods and provide new information on long-term defect evolution in iron.

  18. 75 FR 70080 - Notice of Railroad-Shipper Transportation Advisory Council Vacancies

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-11-16

    ... Surface Transportation Board Notice of Railroad-Shipper Transportation Advisory Council Vacancies AGENCY: Surface Transportation Board (Board), DOT. ACTION: Notice of vacancies on the Railroad-Shipper Transportation Advisory Council (RSTAC) and solicitation of nominations. SUMMARY: The Board hereby gives...

  19. 24 CFR 891.445 - Conditions for receipt of vacancy payments for assisted units.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... DISABILITIES Project Management § 891.445 Conditions for receipt of vacancy payments for assisted units. (a... project rental assistance payments set forth in this section are fulfilled. (b) Vacancies during...

  20. 24 CFR 891.445 - Conditions for receipt of vacancy payments for assisted units.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... DISABILITIES Project Management § 891.445 Conditions for receipt of vacancy payments for assisted units. (a... project rental assistance payments set forth in this section are fulfilled. (b) Vacancies during...

  1. 24 CFR 891.445 - Conditions for receipt of vacancy payments for assisted units.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... DISABILITIES Project Management § 891.445 Conditions for receipt of vacancy payments for assisted units. (a... project rental assistance payments set forth in this section are fulfilled. (b) Vacancies during...

  2. 24 CFR 891.445 - Conditions for receipt of vacancy payments for assisted units.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... DISABILITIES Project Management § 891.445 Conditions for receipt of vacancy payments for assisted units. (a... project rental assistance payments set forth in this section are fulfilled. (b) Vacancies during...

  3. 24 CFR 891.445 - Conditions for receipt of vacancy payments for assisted units.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... DISABILITIES Project Management § 891.445 Conditions for receipt of vacancy payments for assisted units. (a... project rental assistance payments set forth in this section are fulfilled. (b) Vacancies during...

  4. Molecular dynamics simulation of interaction of H with vacancy in W

    SciTech Connect

    Li, Xiaochun; Gao, Fei; Lu, Guang-Hong

    2009-09-15

    Molecular dynamics simulations were performed to investigate the interaction between H and vacancy in W using an analytical bond-order potential to describe the interactions between W-W, W-H and H-H. The most stable configuration for H in W is the tetrahedron interstitial site. We calculated the binding energies of an H and a vacancy to an H-vacancy cluster (HnVm) in W, respectively, where n and m ranged from 0 to 10. The binding energy was almost unchanged. The binding energy of a vacancy to H-vacancy cluster is about 0.4eV, which is higher than the binding energy of an H to H-vacancy cluster. Vacancy is much easier to binding with H-vacancy cluster than H. And H is easier to stay in the tetrahedron interstitial site or octahedron interstitial site in bcc W.

  5. Nucleation and growth of vacancy clusters in β-SiC during irradiation

    SciTech Connect

    Morishita, K.; Watanabe, Y.; Kohyama, A.; Heinisch, Howard L.; Gao, Fei

    2009-04-30

    Molecular dynamics and molecular static calculations have been performed using the empirical many-body interatomic potential to obtain the formation and binding energies of relaxed configuration of vacancy clusters in β-SiC, which are necessary when the nucleation and growth process of clusters is investigated. The formation energy of vacancy clusters in β-SiC depends on the size, vacancy composition, and vacancy configuration of clusters. When the size and vacancy composition of clusters are given, the vacancy configuration of clusters with the lowest formation energy is primarily given so as to take the smallest number of dangling bonds. Especially when the fraction of the number of silicon vacancies to the number of carbon vacancies in clusters is quite high or quite low, the formation property of antisite defects in clusters becomes a key factor to determine the stable configuration of clusters.

  6. Identification of electron and hole traps in lithium tetraborate (Li2B4O7) crystals: Oxygen vacancies and lithium vacancies

    NASA Astrophysics Data System (ADS)

    Swinney, M. W.; McClory, J. W.; Petrosky, J. C.; Yang, Shan; Brant, A. T.; Adamiv, V. T.; Burak, Ya. V.; Dowben, P. A.; Halliburton, L. E.

    2010-06-01

    Electron paramagnetic resonance (EPR) and electron-nuclear double resonance (ENDOR) are used to identify and characterize electrons trapped by oxygen vacancies and holes trapped by lithium vacancies in lithium tetraborate (Li2B4O7) crystals. Our study includes a crystal with the natural abundances of B10 and B11 and a crystal highly enriched with B10. The as-grown crystals contain isolated oxygen vacancies, lithium vacancies, and copper impurities, all in nonparamagnetic charge states. During an irradiation at 77 K with 60 kV x-rays, doubly ionized oxygen vacancies trap electrons while singly ionized lithium vacancies and monovalent copper impurities trap holes. The vacancies return to their preirradiation charge states when the temperature of the sample is increased to approximately 90 K. Hyperfine interactions with B10 and B11 nuclei, observed between 13 and 40 K in the radiation-induced EPR and ENDOR spectra, provide models for the two vacancy-related defects. The electron trapped by an oxygen vacancy is localized primarily on only one of the two neighboring boron ions while the hole stabilized by a lithium vacancy is localized on a neighboring oxygen ion with nearly equal interactions with the two boron ions adjacent to the oxygen ion.

  7. 76 FR 77546 - Merchant Mariner Medical Advisory Committee; Vacancy

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-12-13

    ... examiner education; and medical research. DATES: Applicants must send a cover letter describing their... operators of commercial vessels; medical examiner education; and medical research. The Committee is expected... SECURITY Coast Guard Merchant Mariner Medical Advisory Committee; Vacancy AGENCY: Coast Guard, DHS....

  8. Growth of metalloid aluminum clusters on graphene vacancies

    NASA Astrophysics Data System (ADS)

    Alnemrat, Sufian; Mayo, Dennis H.; DeCarlo, Samantha; Hooper, Joseph P.

    2016-01-01

    Ab initio simulations are used to show that graphene vacancy sites may offer a means of templated growth of metalloid aluminum clusters from their monohalide precursors. We present density functional theory and ab initio molecular dynamics simulations of the aluminum halide AlCl interacting with a graphene surface. Unlike a bare Al adatom, AlCl physisorbs weakly on vacancy-free graphene with little charge transfer and no hybridization with carbon orbitals. The barrier for diffusion of AlCl along the surface is negligible. Covalent bonding is seen only with vacancies and results in strong chemisorption and considerable distortion of the nearby lattice. Car-Parrinello molecular dynamics simulations of AlCl liquid around a graphene single vacancy show spontaneous metalloid cluster growth via a process of repeated insertion reactions. This suggests a means of templated cluster nucleation and growth on a carbon substrate and provides some confirmation for the role of a trivalent aluminum species in nucleating a ligated metalloid cluster from AlCl and AlBr solutions.

  9. 75 FR 25872 - National Boating Safety Advisory Committee; Vacancies

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-05-10

    ..., 2009, (74 FR 22174) will be considered for the 2011 vacancies and do not need to submit another... are considered for membership on the basis of their particular expertise, knowledge, and experience in... Regulations. In support of the policy of the Coast Guard on gender and ethnic nondiscrimination, we...

  10. 78 FR 20684 - Towing Safety Advisory Committee; Vacancies

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-04-05

    ... SECURITY Coast Guard Towing Safety Advisory Committee; Vacancies AGENCY: United States Coast Guard. ACTION... Safety Advisory Committee (TSAC). TSAC advises the Coast Guard on matters relating to shallow- draft inland and coastal waterway navigation and towing safety. DATES: Applications for TSAC membership...

  11. 76 FR 39410 - National Offshore Safety Advisory Committee; Vacancies

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-07-06

    ... construction of offshore exploration and recovery facilities; (c) One member representing employees of...-2011-0539) in the Search box, and click ``Go.'' Please do not post your resume on this site. Dated... SECURITY Coast Guard National Offshore Safety Advisory Committee; Vacancies AGENCY: Coast Guard,...

  12. 78 FR 18618 - National Offshore Safety Advisory Committee; Vacancies

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-03-27

    ... SECURITY Coast Guard National Offshore Safety Advisory Committee; Vacancies AGENCY: United States Coast... Offshore Safety Advisory Committee (NOSAC). NOSAC advises the Secretary of the Department of Homeland... exploration of offshore mineral and energy resources insofar as they relate to matters within Coast...

  13. 78 FR 60890 - Towing Safety Advisory Committee; Vacancies

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-10-02

    ... SECURITY Coast Guard Towing Safety Advisory Committee; Vacancies AGENCY: Coast Guard. ACTION: Request for applications. SUMMARY: The Coast Guard seeks applications for membership on the Towing Safety Advisory... relating ] to shallow-draft inland and coastal waterway navigation and towing safety. Applicants...

  14. Growth of metalloid aluminum clusters on graphene vacancies.

    PubMed

    Alnemrat, Sufian; Mayo, Dennis H; DeCarlo, Samantha; Hooper, Joseph P

    2016-01-14

    Ab initio simulations are used to show that graphene vacancy sites may offer a means of templated growth of metalloid aluminum clusters from their monohalide precursors. We present density functional theory and ab initio molecular dynamics simulations of the aluminum halide AlCl interacting with a graphene surface. Unlike a bare Al adatom, AlCl physisorbs weakly on vacancy-free graphene with little charge transfer and no hybridization with carbon orbitals. The barrier for diffusion of AlCl along the surface is negligible. Covalent bonding is seen only with vacancies and results in strong chemisorption and considerable distortion of the nearby lattice. Car-Parrinello molecular dynamics simulations of AlCl liquid around a graphene single vacancy show spontaneous metalloid cluster growth via a process of repeated insertion reactions. This suggests a means of templated cluster nucleation and growth on a carbon substrate and provides some confirmation for the role of a trivalent aluminum species in nucleating a ligated metalloid cluster from AlCl and AlBr solutions. PMID:26772583

  15. 5 CFR 330.707 - Reporting vacancies to OPM.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... vacancies to OPM when accepting applications from outside the agency (including applications for temporary... include the position title, location, pay plan and grade (or pay rate) of the vacant position; application... and closing dates, plus any other information dealing with how application receipt will be...

  16. 5 CFR 7.1 - Discretion in filling vacancies.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 5 Administrative Personnel 1 2014-01-01 2014-01-01 false Discretion in filling vacancies. 7.1 Section 7.1 Administrative Personnel OFFICE OF PERSONNEL MANAGEMENT CIVIL SERVICE RULES GENERAL PROVISIONS... Regulations. He shall exercise his discretion in all personnel actions solely on the basis of merit...

  17. 76 FR 28799 - Commercial Fishing Safety Advisory Committee; Vacancies

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-05-18

    ... SECURITY Coast Guard Commercial Fishing Safety Advisory Committee; Vacancies AGENCY: Coast Guard, DHS... Commercial Fishing Safety Advisory Committee (CFSAC). The CFSAC provides advice and makes recommendations to... commercial fishing industry vessels. DATES: Applicants should submit a cover letter and resume in time...

  18. Dynamics of charge carriers on hexagonal nanoribbons with vacancy defects

    NASA Astrophysics Data System (ADS)

    Ferreira da Cunha, Wiliam; de Oliveira Neto, Pedro Henrique; Terai, Akira; Magela e Silva, Geraldo

    2016-07-01

    We develop a general model to investigate the dynamics of charge carriers in vacancy endowed honeycomb two-dimensional nanolattices. As a fundamental application, results concerning the influence of vacancies placed on different sites of semiconducting armchair graphene nanoribbons (AGNR) over the transport of polarons are presented. It is observed that the positioning of vacancies plays a major role over the scattering of the charge carriers, in the sense that their overall mobility is determined by where the defect is allocated. By considering different structural configurations of the system, the arising polaron can either move freely or be reflected. Therefore, our work provides a phenomenological understanding of the underlying mechanism responsible for the change of conductivity experienced by systems in which structural defects are present, a fact that has been reported for different nanostructures of the same symmetry. Because vacancies are one of the most common kinds of defects and are, in practice, unavoidable, the kind of description proposed in the present paper is crucial to correctly address transport and electronic properties in more realistic electronic devices based on two-dimensional nanolattices.

  19. 75 FR 60133 - Detroit Area Maritime Security Committee (AMSC); Vacancies

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-09-29

    ... SECURITY Coast Guard Detroit Area Maritime Security Committee (AMSC); Vacancies AGENCY: Coast Guard, DHS... the Detroit Area Maritime Security Committee (AMSC) to submit their applications for membership to the...: Authority Section 102 of the Maritime Transportation Security Act (MTSA) of 2002 (Pub. L. 107-295)...

  20. 77 FR 27774 - Health Information Technology Policy Committee Vacancy

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-05-11

    ... OFFICE Health Information Technology Policy Committee Vacancy AGENCY: Government Accountability Office... Reinvestment Act of 2009 (ARRA) established the Health Information Technology Policy Committee (Health IT...: HITCommittee@gao.gov . GAO: 441 G Street NW., Washington, DC 20548. FOR FURTHER INFORMATION CONTACT:...

  1. 78 FR 42101 - Boston Area Maritime Security Advisory Committee; Vacancies

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-07-15

    ... SECURITY Coast Guard Boston Area Maritime Security Advisory Committee; Vacancies AGENCY: Coast Guard, DHS... the Boston Area Maritime Security Committee to submit their applications for membership, to the Captain of the Port, Boston, MA. DATES: Requests for membership should reach the U.S. Coast Guard...

  2. 77 FR 39249 - Boston Area Maritime Security Advisory Committee; Vacancies

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-07-02

    ... SECURITY Coast Guard Boston Area Maritime Security Advisory Committee; Vacancies AGENCY: Coast Guard, DHS... the Boston Area Maritime Security Committee (AMSC) to submit their applications for membership, to the...-223-3008. SUPPLEMENTARY INFORMATION: Authority Section 102 of the Maritime Transportation Security...

  3. 75 FR 24961 - Pittsburgh Area Maritime Security Committee; Vacancies

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-05-06

    ... SECURITY Coast Guard Pittsburgh Area Maritime Security Committee; Vacancies AGENCY: Coast Guard, DHS... the Pittsburgh Area Maritime Security Committee (AMSC) to submit their application for membership, to... Security Act (MTSA) of 2002 (Pub. L. 107-295) added section 70112 to Title 46 of the U.S. Code,...

  4. Tracking Oxygen Vacancies in Thin Film SOFC Cathodes

    NASA Astrophysics Data System (ADS)

    Leonard, Donovan; Kumar, Amit; Jesse, Stephen; Kalinin, Sergei; Shao-Horn, Yang; Crumlin, Ethan; Mutoro, Eva; Biegalski, Michael; Christen, Hans; Pennycook, Stephen; Borisevich, Albina

    2011-03-01

    Oxygen vacancies have been proposed to control the rate of the oxygen reduction reaction and ionic transport in complex oxides used as solid oxide fuel cell (SOFC) cathodes [1,2]. In this study oxygen vacancies were tracked, both dynamically and statically, with the combined use of scanned probe microscopy (SPM) and scanning transmission electron microscopy (STEM). Epitaxial films of La 0.8 Sr 0.2 Co O3 (L SC113) and L SC113 / LaSrCo O4 (L SC214) on a GDC/YSZ substrate were studied, where the latter showed increased electrocatalytic activity at moderate temperature. At atomic resolution, high angle annular dark field STEM micrographs revealed vacancy ordering in L SC113 as evidenced by lattice parameter modulation and EELS studies. The evolution of oxygen vacancy concentration and ordering with applied bias and the effects of bias cycling on the SOFC cathode performance will be discussed. Research is sponsored by the of Materials Sciences and Engineering Division, U.S. DOE.

  5. 77 FR 33228 - Great Lakes Pilotage Advisory Committee; Vacancies

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-06-05

    ... SECURITY Coast Guard Great Lakes Pilotage Advisory Committee; Vacancies AGENCY: Coast Guard, DHS. ACTION: Request for applicants. SUMMARY: The Coast Guard seeks applications for membership on the Great Lakes... of Homeland Security and the Coast Guard on matters relating to Great Lakes pilotage,...

  6. 78 FR 49544 - Great Lakes Pilotage Advisory Committee; Vacancies

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-08-14

    ... SECURITY Coast Guard Great Lakes Pilotage Advisory Committee; Vacancies AGENCY: Coast Guard, DHS. ACTION: Request for applications. SUMMARY: The Coast Guard seeks applications for membership on the Great Lakes... of Homeland Security and the Coast Guard on matters relating to Great Lakes pilotage,...

  7. Vacancy complexes in Sb-doped SnO{sub 2}

    SciTech Connect

    Korhonen, E.; Tuomisto, F.; Bierwagen, O.; Speck, J. S.; White, M. E.; Galazka, Z.

    2014-02-21

    MBE-grown Sb-doped epitaxial SnO{sub 2} thin-film samples with varying doping concentrations have been measured using positron Doppler spectroscopy. Vacancies were found in varying amounts, the general trend points to a decrease in vacancy concentration as dopant concentration increases. The exact identity of the vacancy defects is not known, but results suggest complexes of Sn and O vacancies.

  8. Properties of cold ions produced by synchrotron radiation and by charged particle impact

    SciTech Connect

    Levin, J.C.; Biederman, C.; Cederquist, H.; O, C.S.; Short, R.T.; Sellin, I.A.

    1988-01-01

    Argon recoil ions produced by beams of 0.8 MeV/u Cl/sup 5 +/ have been detected by time-of-flight (TOF) techniques in coincidence with the loss of from one to five projectile electrons. Recoil-ion energies have been determined to be more than an order of magnitude higher than those of highly-charged ions produced by unmonochromatized synchrotron radiation. Charge-state distributions, however, show similarities, suggesting that loss of projectile electrons corresponds, in some cases, to inner-shell target ionization producing vacancy cascades. In an essential improvement to the usual multinomial description of ionization in the independent-electron-ejection model, we find the inclusion of Auger vacancy cascades significantly alters the description of the recoil ion spectra corresponding to projectile-electron loss. These conclusions are consistent with impact parameters inferred from determinations of mean recoil energy. 11 refs., 5 figs.

  9. Cascade defense via routing in complex networks

    NASA Astrophysics Data System (ADS)

    Xu, Xiao-Lan; Du, Wen-Bo; Hong, Chen

    2015-05-01

    As the cascading failures in networked traffic systems are becoming more and more serious, research on cascade defense in complex networks has become a hotspot in recent years. In this paper, we propose a traffic-based cascading failure model, in which each packet in the network has its own source and destination. When cascade is triggered, packets will be redistributed according to a given routing strategy. Here, a global hybrid (GH) routing strategy, which uses the dynamic information of the queue length and the static information of nodes' degree, is proposed to defense the network cascade. Comparing GH strategy with the shortest path (SP) routing, efficient routing (ER) and global dynamic (GD) routing strategies, we found that GH strategy is more effective than other routing strategies in improving the network robustness against cascading failures. Our work provides insight into the robustness of networked traffic systems.

  10. CO chemisorption at vacancies of supported graphene films: a candidate for a sensor?

    PubMed

    Celasco, E; Carraro, G; Lusuan, A; Smerieri, M; Pal, J; Rocca, M; Savio, L; Vattuone, L

    2016-07-28

    We investigate CO adsorption at single vacancies of graphene supported on Ni(111) and polycrystalline Cu. The borders of the vacancies are chemically inert but, on the reactive Ni(111) substrate, CO intercalation occurs. Adsorbed CO dissociates at 380 K, leading to carbide formation and mending of the vacancies, thus preventing their effectiveness in sensor applications. PMID:27373713

  11. 5 CFR 330.105 - Instructions on how to add a vacancy announcement to USAJOBS.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 5 Administrative Personnel 1 2012-01-01 2012-01-01 false Instructions on how to add a vacancy... Service § 330.105 Instructions on how to add a vacancy announcement to USAJOBS. An agency can find the instructions to add a vacancy announcement to USAJOBS on OPM's Web site at http://www.usajobs.gov....

  12. 5 CFR 330.105 - Instructions on how to add a vacancy announcement to USAJOBS.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 5 Administrative Personnel 1 2014-01-01 2014-01-01 false Instructions on how to add a vacancy... Service § 330.105 Instructions on how to add a vacancy announcement to USAJOBS. An agency can find the instructions to add a vacancy announcement to USAJOBS on OPM's Web site at http://www.usajobs.gov....

  13. 5 CFR 330.105 - Instructions on how to add a vacancy announcement to USAJOBS.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 5 Administrative Personnel 1 2013-01-01 2013-01-01 false Instructions on how to add a vacancy... Service § 330.105 Instructions on how to add a vacancy announcement to USAJOBS. An agency can find the instructions to add a vacancy announcement to USAJOBS on OPM's Web site at http://www.usajobs.gov....

  14. 76 FR 64426 - Notice of Railroad-Shipper Transportation Advisory Council Vacancy

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-10-18

    ... TRANSPORTATION Surface Transportation Board Notice of Railroad-Shipper Transportation Advisory Council Vacancy AGENCY: Surface Transportation Board (Board). ACTION: Notice of vacancies on the Railroad-Shipper... of 7 vacancies on RSTAC for: (1) Representatives of 3 small shippers; (2) representatives of 2...

  15. 76 FR 75899 - Announcement of Vacancy on the Osage Tribal Education Committee

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-12-05

    ... Bureau of Indian Affairs Announcement of Vacancy on the Osage Tribal Education Committee AGENCY: Bureau of Indian Education, Interior. ACTION: Notice. SUMMARY: The Bureau of Indian Education is announcing that a vacancy has occurred on the Osage Tribal Education Committee. This vacancy is the Hominy...

  16. 24 CFR 901.10 - Indicator #1, vacancy rate and unit turnaround time.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 24 Housing and Urban Development 4 2010-04-01 2010-04-01 false Indicator #1, vacancy rate and unit... rate and unit turnaround time. This indicator examines the vacancy rate, a PHA's progress in reducing.... This indicator has a weight of x2. (a) For the calculation of the actual and adjusted vacancy rate...

  17. Quantum cascade lasers with dual-wavelength interdigitated cascades

    NASA Astrophysics Data System (ADS)

    Mosely, Trinesha S.; Straub, Axel; Gmachl, Claire; Colombelli, Raffaele; Troccoli, Mariano; Capasso, Federico; Sivco, Deborah L.; Cho, Alfred Y.

    2002-03-01

    A quantum cascade (QC) laser with a dual-wavelength interdigitated cascade is presented. Its active core consists of a stack of active regions and injectors designed for emission at one wavelength (8.0 μm) interleaved with a second stack emitting at a substantially different wavelength (9.5 μm), and the two injectors were designed to either bridge the 8.0 μm active region to the 9.5 μm one, or vice versa. Clear two-wavelength laser action is observed, demonstrating the viability of this approach to achieve multi-wavelength laser emission in the mid-infrared. Aside from providing two-wavelength operation, this laser design can also be used to test the role of charge transport in the injectors, which customarily bridge successive active regions together. We will present early results of this study. The work was partly supported by DARPA/US ARO under contract number DAAD19-00-C-0096. A. S. acknowledges the support of the Deutsche Studienstiftung. T. S. M. present address: Southern University and A&M College, Baton Rouge, LA.

  18. How sesquiterpenes modulate signaling cascades in cancers.

    PubMed

    Jabeen, S; Qureshi, M Z; Attar, R; Aslam, A; Kanwal, S; Khalid, S; Qureshi, J M; Aras Perk, A; Farooqi, A A; Ismail, M

    2016-01-01

    Data obtained from high-throughput technologies has started to shed light on the interplay between signal transduction cascades and chromatin modifications thus adding another layer of complexity to the already complex regulation of the protein network. Based on the insights gleaned from almost a decade of research, it has now been convincingly revealed that sesquiterpenes effectively modulated different intracellular signaling cascades in different cancers. In this review we summarize how sesquiterpenes mediated Wnt, Shh, Notch and TRAIL induced signaling cascades. PMID:27453282

  19. Cascade photo production at CLAS

    SciTech Connect

    Goetz, John; Hicks, Kenneth H.

    2014-09-01

    The famous discovery of the Omega in 1964 put the quark model on firm ground and since then a lot of effort has been spent on mapping out the baryonic and mesonic states. Over the following decades, many excited baryons with light quarks (up, down and strange) have been measured, but by most predictions, only a small percentage of those expected have been found. In this talk, I will discuss a newly developing technique using an (unflavored) photon beam to excite protons to doubly-strange "Cascade" (Xi) states. Advantages of such an experiment and associated difficulties will be presented, along with recent results from the CLAS detector at Jefferson Lab in Virginia.

  20. Logic synthesis of cascade circuits

    NASA Astrophysics Data System (ADS)

    Zakrevskii, A. D.

    The work reviews aspects of the logic design of cascade circuits, particularly programmable logic matrices. Effective methods for solving various problems of the analysis and synthesis of these devices are examined; these methods are based on a matrix representation of the structure of these devices, and a vector-matrix interpretation of certain aspects of Boolean algebra. Particular consideration is given to the theory of elementary matrix circuits, methods for the minimization of Boolean functions, the synthesis of programmable logic matrices, multilevel combinational networks, and the development of automata with memory.

  1. Mobility and stability of large vacancy and vacancy-copper clusters in iron: An atomistic kinetic Monte Carlo study

    NASA Astrophysics Data System (ADS)

    Castin, N.; Pascuet, M. I.; Malerba, L.

    2012-10-01

    The formation of Cu-rich precipitates under irradiation is a major cause for changes in the mechanical response to load of reactor pressure vessel steels. In previous works, it has been shown that the mechanism under which precipitation occurs is governed by diffusion of vacancy-copper (VCu) complexes, also in the absence of irradiation. Coarse-grained computer models (such as object kinetic Monte Carlo) aimed at simulating irradiation processes in model alloys or steels should therefore explicitly include the mobility of Cu precipitates, as a consequence of vacancy hops at their surface. For this purpose, in this work we calculate diffusion coefficients and lifetimes for a large variety of VCu complexes. We use an innovative atomistic model, where vacancy migration energies are calculated with little approximations, taking into account all effects of static relaxation and long-range chemical interaction as predicted by an interatomic potential. Our results show that, contrary to what intuition might suggest, saturation in vacancies tend to slow down the transport of Cu atoms.

  2. WHISTLER TURBULENCE FORWARD CASCADE VERSUS INVERSE CASCADE: THREE-DIMENSIONAL PARTICLE-IN-CELL SIMULATIONS

    SciTech Connect

    Chang, Ouliang; Gary, S. Peter; Wang, Joseph E-mail: pgary@lanl.gov

    2015-02-20

    We present the results of the first fully three-dimensional particle-in-cell simulations of decaying whistler turbulence in a magnetized, homogeneous, collisionless plasma in which both forward cascades to shorter wavelengths, and inverse cascades to longer wavelengths are allowed to proceed. For the electron beta β {sub e} = 0.10 initial value considered here, the early-time rate of inverse cascade is very much smaller than the rate of forward cascade, so that at late times the fluctuation energy in the regime of the inverse cascade is much weaker than that in the forward cascade regime. Similarly, the wavevector anisotropy in the inverse cascade regime is much weaker than that in the forward cascade regime.

  3. Tri-bimaximal Mixing from Cascades

    SciTech Connect

    Takahashi, Ryo

    2008-11-23

    We investigate fermion mass matrices of the cascade form which lead to the tri-bimaximal mixing in the lepton sector. The cascade neutrino matrix predicts a parameter-independent relation among the observables, which are the neutrino mixing angles and mass squared differences. The relation predicts that the atmospheric neutrino mixing angle is close to maximal. We also study phenomenological aspect of the cascade form in supersymmetric theory, which are lepton flavor violation and thermal leptogenesis. A dynamical realivation of the cascade mass matrix are also presented in U(1) flavor theory.

  4. Lie cascades and Random Dynamical Systems

    NASA Astrophysics Data System (ADS)

    Schertzer, D.; Lovejoy, S.; Tchiguirinskaia, I.

    2009-04-01

    Lie cascades were defined as a broad generalization of scalar cascades (Schertzer and Lovejoy 1995, Tchiguirinskaia and Schertzer, 1996) with the help of (infinitesimal) sub-generators being white noise vector fields on manifolds, instead of being white noise scalar fields on vector spaces. Lie cascades were thus closely related to stochastic flows on manifolds as defined by Kunita (1990). However, the concept of random dynamical systems (Arnold,1998) allows to make a closer and simpler connection between stochastic differential equations and the dynamical system approach. In this talk, we point out some relationships between Lie cascades and random dynamical systems, and therefore to dynamical system approach.

  5. Contingency Analysis of Cascading Line Outage Events

    SciTech Connect

    Thomas L Baldwin; Magdy S Tawfik; Miles McQueen

    2011-03-01

    As the US power systems continue to increase in size and complexity, including the growth of smart grids, larger blackouts due to cascading outages become more likely. Grid congestion is often associated with a cascading collapse leading to a major blackout. Such a collapse is characterized by a self-sustaining sequence of line outages followed by a topology breakup of the network. This paper addresses the implementation and testing of a process for N-k contingency analysis and sequential cascading outage simulation in order to identify potential cascading modes. A modeling approach described in this paper offers a unique capability to identify initiating events that may lead to cascading outages. It predicts the development of cascading events by identifying and visualizing potential cascading tiers. The proposed approach was implemented using a 328-bus simplified SERC power system network. The results of the study indicate that initiating events and possible cascading chains may be identified, ranked and visualized. This approach may be used to improve the reliability of a transmission grid and reduce its vulnerability to cascading outages.

  6. Cascade control and defense in complex networks.

    PubMed

    Motter, Adilson E

    2004-08-27

    Complex networks with a heterogeneous distribution of loads may undergo a global cascade of overload failures when highly loaded nodes or edges are removed due to attacks or failures. Since a small attack or failure has the potential to trigger a global cascade, a fundamental question regards the possible strategies of defense to prevent the cascade from propagating through the entire network. Here we introduce and investigate a costless strategy of defense based on a selective further removal of nodes and edges, right after the initial attack or failure. This intentional removal of network elements is shown to drastically reduce the size of the cascade. PMID:15447153

  7. Dynamics and structure of energetic displacement cascades

    SciTech Connect

    Averback, R.S.; Diaz de la Rubia, T.; Benedek, R.

    1987-12-01

    This paper summarizes recent progress in the understanding of energetic displacement cascades and the primary state of damage in metals. On the theoretical side, the availability of supercomputers has greatly enhanced our ability to simulate cascades by molecular dynamics. Recent application of this simulation technique to Cu and Ni provides new insight into the dynamics of cascade processes. On the experimental side, new data on ion beam mixing and in situ electron microscopy studies of ion damage at low temperatures reveal the role of the thermodynamic properties of the material on cascade dynamics and structure. 38 refs., 9 figs.

  8. Study of Near-Neighbor Structure of Point Defects in α-FE by Displacement Cascade

    NASA Astrophysics Data System (ADS)

    Wang, Wei-Lu; Liu, Wei; Wu, Xuebang; Fang, Q. F.; Liu, C. S.; Huang, Qun-Ying; Wu, Y. C.

    2012-07-01

    Molecular dynamics simulations have been performed to study the primary damage formation in α-Fe by collision cascades in the recoil energy range 0.5-20 keV. Two near-neighbor analysis methods including the near-neighbor defect density (NPDD) analysis and cluster analysis were introduced to characterize the spatial aggregation of point defects and the morphologies of clusters, respectively. It is found that the NPDD of self-interstitial atom (SIA) and the number of Frenkel pairs show a similar variation trend, while the NPDD of vacancy exhibits a peak at shorter time than that of SIA. Furthermore, we find that the clusters of point defects exist mostly in the form of chainlike structure in the course and the end of cascades, but the proportion of chainlike clusters decreases with increasing the number of point defects included in one cluster. Therefore, the present methods are found to be effective to characterize the aggregation and the near-neighbor structure of point defects by displacement cascades at any time.

  9. Vacancies in ordered and disordered titanium monoxide: Mechanism of B1 structure stabilization

    SciTech Connect

    Kostenko, M.G.; Lukoyanov, A.V.; Zhukov, V.P.; Rempel, A.A.

    2013-08-15

    The electronic structure and stability of three phases of titanium monoxide TiO{sub y} with B1 type of the basic structure have been studied. Cubic phase without structural vacancies, TiO, and two phases with structural vacancies, monoclinic Ti{sub 5}O{sub 5} and cubic disordered TiO{sub 1.0}, was treated by means of first-principles calculations within the density functional theory with pseudo-potential approach based on the plane wave's basis. The ordered monoclinic phase Ti{sub 5}O{sub 5} was found to be the most stable and the cubic TiO without vacancies the less stable one. The role of structural vacancies in the titanium sublattice is to decrease the Fermi energy, the role of vacancies in the oxygen sublattice is to contribute to the appearance of Ti–Ti bonding interactions through these vacancies and to reinforce the Ti–Ti interactions close to them. Listed effects are significantly pronounced if the vacancies in the titanium and oxygen sublattices are associated in the so called “vacancy channels” which determine the formation of vacancy ordered structure of monoclinic Ti{sub 5}O{sub 5}-type. - Graphical abstract: Changes in total DOS of titanium monoxide when going from vacancy-free TiO to TiO with disordered structural vacancies and to TiO with ordered structural vacancies. Highlights: • Ordered monoclinic Ti{sub 5}O{sub 5} is the most stable phase of titanium monoxide. • Vacancy-free TiO is the less stable phase of the titanium monoxide. • Ordering of oxygen vacancies leads to the appearance of Ti–Ti bonding interactions. • Titanium vacancies contribute significantly to the decreasing of the Fermi energy.

  10. Lifespans of Cascade Arc volcanoes

    NASA Astrophysics Data System (ADS)

    Calvert, A. T.

    2015-12-01

    Compiled argon ages reveal inception, eruptive episodes, ages, and durations of Cascade stratovolcanoes and their ancestral predecessors. Geologic mapping and geochronology show that most Cascade volcanoes grew episodically on multiple scales with periods of elevated behavior lasting hundreds of years to ca. 100 kyr. Notable examples include the paleomag-constrained, few-hundred-year-long building of the entire 15-20 km3 Shastina edifice at Mt. Shasta, the 100 kyr-long episode that produced half of Mt. Rainier's output, and the 30 kyr-long episode responsible for all of South and Middle Sister. Despite significant differences in timing and rates of construction, total durations of active and ancestral volcanoes at discrete central-vent locations are similar. Glacier Peak, Mt. Rainier, Mt. Adams, Mt. Hood, and Mt. Mazama all have inception ages of 400-600 ka. Mt. St. Helens, Mt. Jefferson, Newberry Volcano, Mt. Shasta and Lassen Domefield have more recent inception ages of 200-300 ka. Only the Sisters cluster and Mt. Baker have established eruptive histories spanning less than 50 kyr. Ancestral volcanoes centered 5-20 km from active stratocones appear to have similar total durations (200-600 kyr), but are less well exposed and dated. The underlying mechanisms governing volcano lifecycles are cryptic, presumably involving tectonic and plumbing changes and perhaps circulation cycles in the mantle wedge, but are remarkably consistent along the arc.

  11. Physics of interband cascade lasers

    NASA Astrophysics Data System (ADS)

    Vurgaftman, I.; Bewley, W. W.; Merritt, C. D.; Canedy, C. L.; Kim, C. S.; Abell, J.; Meyer, J. R.; Kim, M.

    2012-01-01

    The interband cascade laser (ICL) is a unique device concept that combines the effective parallel connection of its multiple-quantum-well active regions, interband active transitions, and internal generation of electrons and holes at a semimetallic interface within each stage of the device. The internal generation of carriers becomes effective under bias, and the role of electrical injection is to replenish the carriers consumed by recombination processes. Major strides have been made toward fundamentally understanding the rich and intricate ICL physics, which has in turn led to dramatic improvements in the device performance. In this article, we review the physical principles of the ICL operation and designs of the active region, electron and hole injectors, and optical waveguide. The results for state-of- the-art ICLs spanning the 3-6 μm wavelength range are also briefly reviewed. The cw threshold input powers at room temperature are more than an order of magnitude lower than those for quantum cascade lasers throughout the mid-IR spectral range. This will lengthen battery lifetimes and greatly relax packaging and size/weight requirements for fielded sensing systems.

  12. Compensating vacancy defects in Sn- and Mg-doped In2O3

    NASA Astrophysics Data System (ADS)

    Korhonen, E.; Tuomisto, F.; Bierwagen, O.; Speck, J. S.; Galazka, Z.

    2014-12-01

    MBE-grown Sn- and Mg-doped epitaxial In2O3 thin-film samples with varying doping concentrations have been measured using positron Doppler spectroscopy and compared to a bulk crystal reference. Samples were subjected to oxygen or vacuum annealing and the effect on vacancy type defects was studied. Results indicate that after oxygen annealing the samples are dominated by cation vacancies, the concentration of which changes with the amount of doping. In highly Sn-doped In2O3 , however, these vacancies are not the main compensating acceptor. Vacuum annealing increases the size of vacancies in all samples, possibly by clustering them with oxygen vacancies.

  13. Interaction between single vacancies in graphene sheet: An ab initio calculation

    NASA Astrophysics Data System (ADS)

    Scopel, W. L.; Paz, Wendel S.; Freitas, Jair C. C.

    2016-08-01

    In order to investigate the interaction between single vacancies in a graphene sheet, we have used spin-polarized density functional theory (DFT). Two distinct configurations were considered, either with the two vacancies located in the same sublattice or in different sublattices, and the effect of changing the separation between the vacancies was also studied. Our results show that the ground state of the system is indeed magnetic, but the presence of the vacancies in the same sublattice or in different sublattices and the possible topological configurations can lead to different contributions from the π and σ orbitals to magnetism. On the other hand, our findings reveal that the net magnetic moment of the system with the two vacancies in the same sublattice move towards the value of the magnetic moment per isolated vacancy with the increase of the distance between the vacancies, which is ascribed to the different contributions due to π electrons. Moreover, it is also found that the local magnetic moments for vacancies in the same sublattice are in parallel configuration, while they have different orientations when the vacancies are created in different sublattices. So, our findings have clearly evidenced how difficult it would be to observe experimentally the emergence of magnetic order in graphene-based systems containing randomly created atomic vacancies, since the energy difference between cases of antiferromagnetic and ferromagnetic order decreases quickly with the increase in the distance separating each vacancy pair.

  14. Edge effect on a vacancy state in semi-infinite graphene

    NASA Astrophysics Data System (ADS)

    Deng, Hai-Yao; Wakabayashi, Katsunori

    2014-09-01

    The edge effect on a single vacancy state of semi-infinite graphene (SIG) has been studied using Green's function method within the tight-binding model. In the case of infinite graphene, it is known that a vacancy induces a zero-energy resonance state, whose wave function decays inversely with distance (R) from the vacancy and is not normalizable. However, for SIG with an armchair edge, we find that the corresponding wave function decays as R-2 and hence becomes normalizable owing to the intervalley interference caused by the armchair edge. For SIG with a zigzag edge, the vacancy state depends on the sublattice of the vacancy. When the vacancy and the edge belong to different sublattices, the vacancy has no effect on the zero-energy vacancy state. In contrast, when the vacancy is located on the same sublattice as the edge, the resonance state disappears but the wave function at zero energy is strongly distorted near the vacancy. Our results reveal that the presence of edges crucially changes the vacancy state in graphene, and thus such a state can be used to probe the edge structure.

  15. Vacancy–Vacancy Interaction Induced Oxygen Diffusivity Enhancement in Undoped Nonstoichiometric Ceria

    SciTech Connect

    Yuan, Fenglin; Zhang, Yanwen; Weber, William J.

    2015-05-19

    In this paper, molecular dynamics simulations and molecular static calculations have been used to systematically study oxygen vacancy transport in undoped nonstoichiometric ceria. A strong oxygen diffusivity enhancement appears in the vacancy concentration range of 2–4% over the temperature range from 1000 to 2000 K. An Arrhenius ion diffusion mechanism by vacancy hopping along the (100) direction is unambiguously identified, and an increasing trend of both the oxygen migration barrier and the prefactor with increasing vacancy concentration is observed. Within the framework of classical diffusion theory, a weak concentration dependence of the prefactor in oxygen vacancy migration is shown to be crucial for explaining the unusual fast oxygen ion migration in the low concentration range and consequently the appearance of a maximum in oxygen diffusivity. Finally, a representative (100) direction interaction model is constructed to identify long-range vacancy–vacancy interaction as the structural origin of the positive correlation between oxygen migration barrier and vacancy concentration.

  16. Dynamics of vacancies in two-dimensional Lennard-Jones crystals

    NASA Astrophysics Data System (ADS)

    Yao, Zhenwei; Olvera de La Cruz, Monica

    2015-03-01

    Vacancies represent an important class of crystallographic defects, and their behaviors can be strongly coupled with relevant material properties. We report the rich dynamics of vacancies in two-dimensional Lennard-Jones crystals in several thermodynamic states. Specifically, we numerically observe significantly faster diffusion of the 2-point vacancy with two missing particles in comparison with other types of vacancies; it opens the possibility of doping 2-point vacancies into atomic materials to enhance atomic migration. In addition, the resulting dislocations in the healing of a long vacancy suggest the intimate connection between vacancies and topological defects that may provide an extra dimension in the engineering of defects in extensive crystalline materials for desired properties. We thank the financial support from the U.S. Department of Commerce, National Institute of Standards and Technology, the Office of the Director of Defense Research and Engineering (DDR&E) and the Air Force Office of Scientific Research.

  17. Vacancy complexes induce long-range ferromagnetism in GaN

    SciTech Connect

    Zhang, Zhenkui; Schwingenschlögl, Udo E-mail: Iman.Roqan@kaust.edu.sa; Roqan, Iman S. E-mail: Iman.Roqan@kaust.edu.sa

    2014-11-14

    By means of density functional theory, we argue that ferromagnetism in GaN can be induced by vacancy complexes. Spin polarization originates from the charge compensation between neutral N and Ga vacancies. Defect formation energy calculations predict that a vacancy complex of two positively charged N vacancies and one doubly negative Ga vacancy is likely to form. This defect complex induces a net moment of 1 μ{sub B}, which is localized around the negative Ga center and exhibits pronounced in-plane ferromagnetic coupling. In contrast to simple Ga vacancy induced ferromagnetism, the proposed picture is in line with the fact that N vacancies have a low formation energy. Formation energies indicate mutual stabilization of the intrinsic defects in GaN.

  18. Cascade Harvest’ red raspberry

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Cascade Harvest’ is a new floricane fruiting raspberry cultivar (Rubus idaeus L.) jointly released by Washington State University (WSU), Oregon State University (OSU) and the U.S. Department of Agriculture (USDA). ‘Cascade Harvest’ produces a high yield of large, firm fruit suited to machine harves...

  19. Aerodynamics of a linear oscillating cascade

    NASA Technical Reports Server (NTRS)

    Buffum, Daniel H.; Fleeter, Sanford

    1990-01-01

    The steady and unsteady aerodynamics of a linear oscillating cascade are investigated using experimental and computational methods. Experiments are performed to quantify the torsion mode oscillating cascade aerodynamics of the NASA Lewis Transonic Oscillating Cascade for subsonic inlet flowfields using two methods: simultaneous oscillation of all the cascaded airfoils at various values of interblade phase angle, and the unsteady aerodynamic influence coefficient technique. Analysis of these data and correlation with classical linearized unsteady aerodynamic analysis predictions indicate that the wind tunnel walls enclosing the cascade have, in some cases, a detrimental effect on the cascade unsteady aerodynamics. An Euler code for oscillating cascade aerodynamics is modified to incorporate improved upstream and downstream boundary conditions and also the unsteady aerodynamic influence coefficient technique. The new boundary conditions are shown to improve the unsteady aerodynamic influence coefficient technique. The new boundary conditions are shown to improve the unsteady aerodynamic predictions of the code, and the computational unsteady aerodynamic influence coefficient technique is shown to be a viable alternative for calculation of oscillating cascade aerodynamics.

  20. Role of nitrogen vacancies in cerium doped aluminum nitride

    NASA Astrophysics Data System (ADS)

    Majid, Abdul; Asghar, Farzana; Rana, Usman Ali; Ud-Din Khan, Salah; Yoshiya, Masato; Hussain, Fayyaz; Ahmad, Iftikhar

    2016-08-01

    In this report, a systematic density functional theory based investigation to explain the character of nitrogen vacancies in structural, electronic and magnetic properties of Ce doped wurtzite AlN is presented. The work demonstrates the modification in the properties of the material upon doping thereby addressing dopant concentration and inter-dopant distance. The presence of anionic vacancy reveals spin polarization and introduction of magnetic character in the structure. The doping produced the magnetic character in the material which was of ferromagnetic nature in most cases except the situation when dopants separated by largest distance of 5.873 Å. The calculated values of total energy and exchange energy suggested the configuration including CeAl-VN complex is more favorable and exhibits ferromagnetic ordering.

  1. Vacancies and small polarons in SrTiO3

    NASA Astrophysics Data System (ADS)

    Janotti, Anderson; Varley, Joel B.; Choi, Minseok; Van de Walle, Chris G.

    2014-08-01

    Using first-principles calculations we investigate the impact of intrinsic defects and small polarons on the electrical and optical properties of SrTiO3. We pay special attention to the seemingly contradictory role of oxygen vacancies as shallow donor and source of deep-level luminescence, as reported in the literature. We find that oxygen vacancies are double donors, and that one electron is easily ionized, explaining the shallow donor behavior. The second electron is trapped in the form of a small polaron, and this additional binding energy explains the behavior as a deep center that gives rise to blue luminescence. At low temperatures, holes become self-trapped, and recombination of free electrons with self-trapped holes gives rise to green luminescence. These results explain the intricate interplay between the observed green and blue luminescence in SrTiO3, and form a framework for interpreting similar phenomena in other complex oxides.

  2. Multiferroic Vacancies at Ferroelectric PbTiO(3) Surfaces.

    PubMed

    Shimada, Takahiro; Wang, Jie; Araki, Yasumitsu; Mrovec, Matous; Elsässer, Christian; Kitamura, Takayuki

    2015-09-01

    Multiferroics in nanoscale dimensions are promising for novel functional device paradigms, such as magnetoelectric memories, due to an intriguing cross-coupling between coexisting ferroelectric and (anti)ferromagnetic order parameters. However, the ferroic order is inevitably destroyed below the critical dimension of several nanometers. Here, we demonstrate a new path towards atomic-size multiferroics while resolving the controversial origin of dilute ferromagnetism that unexpectedly emerges in nanoparticles of nonmagnetic ferroelectric PbTiO(3). Systematic exploration using predictive quantum-mechanical calculations demonstrates that oxygen vacancies formed at surfaces induce ferromagnetism due to local nonstoichiometry and orbital symmetry breaking. The localized character of the emerged magnetization allows an individual oxygen vacancy to act as an atomic-scale multiferroic element with a nonlinear magnetoelectric effect that involves rich ferromagnetic-antiferromagnetic-nonmagnetic phase transitions in response to switching of the spontaneous polarization. PMID:26382700

  3. Controlling Oxygen Vacancy Creation In Ionic Liquid Gated Vanadate Nanostructures

    NASA Astrophysics Data System (ADS)

    Kilcoyne, Colin; Singh, Sujay; Horrocks, Gregory; Marley, Peter; Banerjee, Sarbajit; Sambandamurthy, G.

    Vanadium dioxide (VO2) is a correlated material with a transition from a monoclinic insulator to a rutile metal at ~ 340 K. Through ionic liquid gating, oxygen vacancies can be electrochemically induced in VO2 and it is found that the vacancies formation is greatly facilitated in the rutile phase, leading to the suppression of the metal-insulator transition. The reversibility, the rate and kinetics of the electrochemical reaction can be readily controlled with the gate voltage sweeps suggesting a potential defect engineering route to tune the electrical and structural properties of VO2. Vanadium pentoxide (V2O5) is a related system with diverse structural and electronic phases that can be obtained by intercalation of various cations. The electrochemical role of ionic liquid gating in creating new phases and modulating conductance in exfoliated thin flakes of V2O5 will also be presented. This work is supported by NSF DMR 0847324.

  4. Statistical investigations on nitrogen-vacancy center creation

    SciTech Connect

    Antonov, D. Häußermann, T.; Aird, A.; Wrachtrup, J.; Roth, J.; Trebin, H.-R.; Müller, C.; McGuinness, L.; Jelezko, F.; Yamamoto, T.; Isoya, J.; Pezzagna, S.; Meijer, J.

    2014-01-06

    Quantum information technologies require networks of interacting defect bits. Color centers, especially the nitrogen vacancy (NV{sup −}) center in diamond, represent one promising avenue, toward the realisation of such devices. The most successful technique for creating NV{sup −} in diamond is ion implantation followed by annealing. Previous experiments have shown that shallow nitrogen implantation (<10 keV) results in NV{sup −} centers with a yield of 0.01%–0.1%. We investigate the influence of channeling effects during shallow implantation and statistical diffusion of vacancies using molecular dynamics and Monte Carlo simulation techniques. Energy barriers for the diffusion process were calculated using density functional theory. Our simulations show that 25% of the implanted nitrogens form a NV center, which is in good agreement with our experimental findings.

  5. Increased negatively charged nitrogen-vacancy centers in fluorinated diamond

    SciTech Connect

    Cui, Shanying; Hu, Evelyn L.

    2013-07-29

    We investigated the effect of fluorine-terminated diamond surface on the charged state of shallow nitrogen vacancy defect centers (NVs). Fluorination is achieved with CF{sub 4} plasma, and the surface chemistry is confirmed with x-ray photoemission spectroscopy. Photoluminescence of these ensemble NVs reveals that fluorine-treated surfaces lead to a higher and more stable negatively charged nitrogen vacancy (NV{sup −}) population than oxygen-terminated surfaces. NV{sup −} population is estimated by the ratio of negative to neutral charged NV zero-phonon lines. Surface chemistry control of NV{sup −} density is an important step towards improving the optical and spin properties of NVs for quantum information processing and magnetic sensing.

  6. 2. LOOKING EAST AT PARKING AREA BETWEEN TAMARACK AND CASCADE ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    2. LOOKING EAST AT PARKING AREA BETWEEN TAMARACK AND CASCADE CREEK BRIDGES. RAILING AT RIGHT EDGE IS THE EAST END OF TAMARACK BRIDGE. - Cascade Creek Bridge, Spanning Cascade Creek on New Big Oak Flat Road, Yosemite Village, Mariposa County, CA

  7. Cascade Error Projection: An Efficient Hardware Learning Algorithm

    NASA Technical Reports Server (NTRS)

    Duong, T. A.

    1995-01-01

    A new learning algorithm termed cascade error projection (CEP) is presented. CEP is an adaption of a constructive architecture from cascade correlation and the dynamical stepsize of A/D conversion from the cascade back propagation algorithm.

  8. Indistinguishable Photons from Separated Silicon-Vacancy Centers in Diamond

    NASA Astrophysics Data System (ADS)

    Sipahigil, A.; Jahnke, K. D.; Rogers, L. J.; Teraji, T.; Isoya, J.; Zibrov, A. S.; Jelezko, F.; Lukin, M. D.

    2014-09-01

    We demonstrate that silicon-vacancy (SiV) centers in diamond can be used to efficiently generate coherent optical photons with excellent spectral properties. We show that these features are due to the inversion symmetry associated with SiV centers. The generation of indistinguishable single photons from separated emitters at 5 K is demonstrated in a Hong-Ou-Mandel interference experiment. Prospects for realizing efficient quantum network nodes using SiV centers are discussed.

  9. Multiple vacancy production by high energy heavy ions

    SciTech Connect

    Becker, R.L.; Ford, A.L.; Reading, J.F.

    1984-01-01

    The theory of atomic collisions has two ingredients: collision theory and atomic structure theory. The collision theories differ with respect to (A) the collision dynamics and (B) the treatment of the relative motion of the projectile and target nuclei. With regard to the dynamics multiple vacancy production is of fundamental interest because it is a signature for and probe of strong interactions between the projectile and the target electrons. For projectiles of large nuclear charge, Z/sub p/, especially for those which are highly stripped so as to have a large ionic charge, q, the interaction becomes strong enough to give a high probability of multiple vacancy production and a breakdown of perturbation theory. The familiar first and second Born approximations and their off-shoots cease to be adequate. Not even the recent strong-potential Born approximation (see Taulbjerg 1984) is sufficient, because the weaker of the potentials generated by the projectile and the target nuclei, respectively, is treated in first order. One needs a unitary, non-perturbative collision theory. At present this is generally available for multiple vacancy production only in the form of the highly numerical coupled channels theory (Becker et al. 1983, 1984b). For special problems analytically tractable models have been devised. For example, a simple, unitary, geometrical encounter probability model for the calculation of p/sub L/(0), the inclusive L-shell vacancy probability per electron in collisions with impact parameter B = 0, has been introduced by Sulik et al. (1984) and further developed by Sulik and Hock (1984). Along with earlier coupled-channels calculations (Becker et al. 1984ab) and first Magnus calculations (Becker et al. 1984b), this model is able to describe the saturation of p/sub L/(0) with Z/sub p/ at fixed impact speed, v, whereas all the first-order theories predict p/sub L/ proportional to Z/sub p//sup 2/, which eventually exceeds unity.

  10. MAPK Cascades in Guard Cell Signal Transduction

    PubMed Central

    Lee, Yuree; Kim, Yun Ju; Kim, Myung-Hee; Kwak, June M.

    2016-01-01

    Guard cells form stomata on the epidermis and continuously respond to endogenous and environmental stimuli to fine-tune the gas exchange and transpirational water loss, processes which involve mitogen-activated protein kinase (MAPK) cascades. MAPKs form three-tiered kinase cascades with MAPK kinases and MAPK kinase kinases, by which signals are transduced to the target proteins. MAPK cascade genes are highly conserved in all eukaryotes, and they play crucial roles in myriad developmental and physiological processes. MAPK cascades function during biotic and abiotic stress responses by linking extracellular signals received by receptors to cytosolic events and gene expression. In this review, we highlight recent findings and insights into MAPK-mediated guard cell signaling, including the specificity of MAPK cascades and the remaining questions. PMID:26904052

  11. MAPK Cascades in Guard Cell Signal Transduction.

    PubMed

    Lee, Yuree; Kim, Yun Ju; Kim, Myung-Hee; Kwak, June M

    2016-01-01

    Guard cells form stomata on the epidermis and continuously respond to endogenous and environmental stimuli to fine-tune the gas exchange and transpirational water loss, processes which involve mitogen-activated protein kinase (MAPK) cascades. MAPKs form three-tiered kinase cascades with MAPK kinases and MAPK kinase kinases, by which signals are transduced to the target proteins. MAPK cascade genes are highly conserved in all eukaryotes, and they play crucial roles in myriad developmental and physiological processes. MAPK cascades function during biotic and abiotic stress responses by linking extracellular signals received by receptors to cytosolic events and gene expression. In this review, we highlight recent findings and insights into MAPK-mediated guard cell signaling, including the specificity of MAPK cascades and the remaining questions. PMID:26904052

  12. Cascades in interdependent flow networks

    NASA Astrophysics Data System (ADS)

    Scala, Antonio; De Sanctis Lucentini, Pier Giorgio; Caldarelli, Guido; D'Agostino, Gregorio

    2016-06-01

    In this manuscript, we investigate the abrupt breakdown behavior of coupled distribution grids under load growth. This scenario mimics the ever-increasing customer demand and the foreseen introduction of energy hubs interconnecting the different energy vectors. We extend an analytical model of cascading behavior due to line overloads to the case of interdependent networks and find evidence of first order transitions due to the long-range nature of the flows. Our results indicate that the foreseen increase in the couplings between the grids has two competing effects: on the one hand, it increases the safety region where grids can operate without withstanding systemic failures; on the other hand, it increases the possibility of a joint systems' failure.

  13. The Geant4 Bertini Cascade

    NASA Astrophysics Data System (ADS)

    Wright, D. H.; Kelsey, M. H.

    2015-12-01

    One of the medium energy hadron-nucleus interaction models in the GEANT4 simulation toolkit is based partly on the Bertini intranuclear cascade model. Since its initial appearance in the toolkit, this model has been largely re-written in order to extend its physics capabilities and to reduce its memory footprint. Physics improvements include extensions in applicable energy range and incident particle types, and improved hadron-nucleon cross-sections and angular distributions. Interfaces have also been developed which allow the model to be coupled with other GEANT4 models at lower and higher energies. The inevitable speed reductions due to enhanced physics have been mitigated by memory and CPU efficiency improvements. Details of these improvements, along with selected comparisons of the model to data, are discussed.

  14. Diversity Cascades and Malaria Vectors

    PubMed Central

    CARLSON, JOHN C.; DYER, LEE A.; OMLIN, FRANCOIS X.; BEIER, JOHN C.

    2009-01-01

    The interactions between predator diversity and primary consumer abundance can include direct effects and indirect, cascading effects. Understanding these effects on immature Anopheles mosquitoes is important in sub-Saharan Africa, where most cases of malaria occur. Aquatic predators and immature mosquitoes were collected from shallow pools of varying age previously excavated by brickmakers in the western highlands of Kenya. Path analysis showed an indirect negative effect of habitat age on An. gambiae (Giles, 1902) mediated by effects on predator diversity. Disturbance resets habitats to an earlier successional stage, diminishing predator diversity and increasing An. gambiae populations. The increase in vector abundance as a result of reduced predator diversity highlights the public health value in conserving native insect diversity. PMID:19496413

  15. Weak Interactions and Instability Cascades.

    PubMed

    Kadoya, Taku; McCann, Kevin S

    2015-01-01

    Food web theory states that a weak interactor which is positioned in the food web such that it tends to deflect, or mute, energy away from a potentially oscillating consumer-resource interaction often enhances community persistence and stability. Here we examine how adding other weak interactions (predation/harvesting) on the stabilizing weak interactor alters the stability of food web using a set of well-established food web models/modules. We show that such "weak on weak" interaction chains drive an indirect dynamic cascade that can rapidly ignite a distant consumer-resource oscillator. Nonetheless, we also show that the "weak on weak" interactions are still more stable than the food web without them, and so weak interactions still generally act to stabilize food webs. Rather, these results are best interpreted to say that the degree of the stabilizing effect of a given important weak interaction can be severely compromised by other weak interactions (including weak harvesting). PMID:26219561

  16. The Geant4 Bertini Cascade

    SciTech Connect

    Wright, D. H.; Kelsey, M. H.

    2015-12-01

    One of the medium energy hadron–nucleus interaction models in the Geant4 simulation toolkit is based partly on the Bertini intranuclear cascade model. Since its initial appearance in the toolkit, this model has been largely re-written in order to extend its physics capabilities and to reduce its memory footprint. Physics improvements include extensions in applicable energy range and incident particle types, and improved hadron–nucleon cross-sections and angular distributions. Interfaces have also been developed which allow the model to be coupled with other Geant4 models at lower and higher energies. The inevitable speed reductions due to enhanced physics have been mitigated by memory and CPU efficiency improvements. Details of these improvements, along with selected comparisons of the model to data, are discussed.

  17. Compact Quantum Cascade Laser Transmitter

    SciTech Connect

    Anheier, Norman C.; Hatchell, Brian K.; Gervais, Kevin L.; Wojcik, Michael D.; Krishnaswami, Kannan; Bernacki, Bruce E.

    2009-04-01

    ): In this paper we present design considerations, thermal and optical modeling results, and device performance for a ruggedized, compact laser transmitter that utilizes a room temperature quantum cascade (QC) laser source. The QC laser transmitter is intended for portable mid-infrared (3-12 µm) spectroscopy applications, where the atmospheric transmission window is relatively free of water vapor interference and where the molecular rotational vibration absorption features can be used to detect and uniquely identify chemical compounds of interest. Initial QC laser-based sensor development efforts were constrained by the complications of cryogenic operation. However, improvements in both QC laser designs and fabrication processes have provided room-temperature devices that now enable significant miniaturization and integration potential for national security, environmental monitoring, atmospheric science, and industrial safety applications.

  18. Cu Vacancies Boost Cation Exchange Reactions in Copper Selenide Nanocrystals

    PubMed Central

    2015-01-01

    We have investigated cation exchange reactions in copper selenide nanocrystals using two different divalent ions as guest cations (Zn2+ and Cd2+) and comparing the reactivity of close to stoichiometric (that is, Cu2Se) nanocrystals with that of nonstoichiometric (Cu2–xSe) nanocrystals, to gain insights into the mechanism of cation exchange at the nanoscale. We have found that the presence of a large density of copper vacancies significantly accelerated the exchange process at room temperature and corroborated vacancy diffusion as one of the main drivers in these reactions. Partially exchanged samples exhibited Janus-like heterostructures made of immiscible domains sharing epitaxial interfaces. No alloy or core–shell structures were observed. The role of phosphines, like tri-n-octylphosphine, in these reactions, is multifaceted: besides acting as selective solvating ligands for Cu+ ions exiting the nanoparticles during exchange, they also enable anion diffusion, by extracting an appreciable amount of selenium to the solution phase, which may further promote the exchange process. In reactions run at a higher temperature (150 °C), copper vacancies were quickly eliminated from the nanocrystals and major differences in Cu stoichiometries, as well as in reactivities, between the initial Cu2Se and Cu2–xSe samples were rapidly smoothed out. These experiments indicate that cation exchange, under the specific conditions of this work, is more efficient at room temperature than at higher temperature. PMID:26140622

  19. Cu Vacancies Boost Cation Exchange Reactions in Copper Selenide Nanocrystals.

    PubMed

    Lesnyak, Vladimir; Brescia, Rosaria; Messina, Gabriele C; Manna, Liberato

    2015-07-29

    We have investigated cation exchange reactions in copper selenide nanocrystals using two different divalent ions as guest cations (Zn(2+) and Cd(2+)) and comparing the reactivity of close to stoichiometric (that is, Cu2Se) nanocrystals with that of nonstoichiometric (Cu(2-x)Se) nanocrystals, to gain insights into the mechanism of cation exchange at the nanoscale. We have found that the presence of a large density of copper vacancies significantly accelerated the exchange process at room temperature and corroborated vacancy diffusion as one of the main drivers in these reactions. Partially exchanged samples exhibited Janus-like heterostructures made of immiscible domains sharing epitaxial interfaces. No alloy or core-shell structures were observed. The role of phosphines, like tri-n-octylphosphine, in these reactions, is multifaceted: besides acting as selective solvating ligands for Cu(+) ions exiting the nanoparticles during exchange, they also enable anion diffusion, by extracting an appreciable amount of selenium to the solution phase, which may further promote the exchange process. In reactions run at a higher temperature (150 °C), copper vacancies were quickly eliminated from the nanocrystals and major differences in Cu stoichiometries, as well as in reactivities, between the initial Cu2Se and Cu(2-x)Se samples were rapidly smoothed out. These experiments indicate that cation exchange, under the specific conditions of this work, is more efficient at room temperature than at higher temperature. PMID:26140622

  20. Strain control of oxygen vacancies in epitaxial strontium cobaltite films

    DOE PAGESBeta

    Jeen, Hyoung Jeen; Choi, Woo Seok; Reboredo, Fernando A.; Freeland, John W.; Eres, Gyula; Lee, Ho Nyung; Petrie, Jonathan R.; Mitra, Chandrima; Meyer, Tricia L.

    2016-01-25

    In this study, the ability to manipulate oxygen anion defects rather than metal cations in complex oxides can facilitate creating new functionalities critical for emerging energy and device technologies. However, the difficulty in activating oxygen at reduced temperatures hinders the deliberate control of important defects, oxygen vacancies. Here, strontium cobaltite (SrCoOx) is used to demonstrate that epitaxial strain is a powerful tool for manipulating the oxygen vacancy concentration even under highly oxidizing environments and at annealing temperatures as low as 300 °C. By applying a small biaxial tensile strain (2%), the oxygen activation energy barrier decreases by ≈30%, resulting inmore » a tunable oxygen deficient steady-state under conditions that would normally fully oxidize unstrained cobaltite. These strain-induced changes in oxygen stoichiometry drive the cobaltite from a ferromagnetic metal towards an antiferromagnetic insulator. The ability to decouple the oxygen vacancy concentration from its typical dependence on the operational environment is useful for effectively designing oxides materials with a specific oxygen stoichiometry.« less

  1. A study of vacancy defects related to gray tracks in KTiOPO{sub 4} (KTP) using positron annihilation

    SciTech Connect

    Zhang, Yang; Li, Jing; Wang, Jiyang Jiang, Huaidong; Cao, Xingzhong; Yang, Jing

    2014-12-15

    For the first time to our knowledge, positron annihilation spectroscopy (PAS) was used to study vacancy defects in KTiOPO{sub 4} (KTP) single crystals. Positron annihilation lifetime spectroscopy combined with dielectric measurements identified the existence of oxygen vacancies and reflected the concentration of vacancy defects in three samples. The vacancy defects in KTP do not consist of monovacancies, but rather vacancy complexes. Doppler broadening indicates that the vacancy defects are distributed uniformly. A relationship is established where a crystal with a low oxygen vacancy concentration and a highly balanced stoichiometry has a higher resistance to gray track formation.

  2. A study of vacancy defects related to gray tracks in KTiOPO4 (KTP) using positron annihilation

    NASA Astrophysics Data System (ADS)

    Zhang, Yang; Li, Jing; Cao, Xingzhong; Yang, Jing; Wang, Jiyang; Jiang, Huaidong

    2014-12-01

    For the first time to our knowledge, positron annihilation spectroscopy (PAS) was used to study vacancy defects in KTiOPO4 (KTP) single crystals. Positron annihilation lifetime spectroscopy combined with dielectric measurements identified the existence of oxygen vacancies and reflected the concentration of vacancy defects in three samples. The vacancy defects in KTP do not consist of monovacancies, but rather vacancy complexes. Doppler broadening indicates that the vacancy defects are distributed uniformly. A relationship is established where a crystal with a low oxygen vacancy concentration and a highly balanced stoichiometry has a higher resistance to gray track formation.

  3. Angular correlation of annihilation radiation associated with vacancy defects in electron-irradiated 6H-SiC

    SciTech Connect

    Kawasuso, A.; Chiba, T.; Higuchi, T.

    2005-05-15

    Electron-positron momentum distributions associated with vacancy defects in 6H-SiC after irradiation with 2-MeV electrons and annealing at 1000 deg. C have been studied using angular correlation of annihilation radiation measurements. It was confirmed that the above vacancy defects have dangling bonds along the c axis and the rotational symmetry around it. The first-principles calculation suggested that the vacancy defects are attributable to either carbon-vacancy-carbon-antisite complexes or silicon-vacancy-nitrogen pairs, while isolated carbon vacancies, silicon vacancies, and nearest neighbor divacancies are ruled out.

  4. Displacement cascades in Fesbnd Nisbnd Mnsbnd Cu alloys: RVP model alloys

    NASA Astrophysics Data System (ADS)

    Terentyev, D.; Zinovev, A.; Bonny, G.

    2016-07-01

    Primary damage due to displacement cascades (10-100 keV) has been assessed in Fesbnd 1%Mnsbnd 1%Ni-0.5%Cu and its binary alloys by molecular dynamics (MD), using a recent interatomic potential, specially developed to address features of the Fesbnd Mnsbnd Nisbnd Cu system in the dilute limit. The latter system represents the model matrix for reactor pressure vessel steels. The applied potential reproduces major interaction features of the solutes with point defects in the binary, ternary and quaternary dilute alloys. As compared to pure Fe, the addition of one type of a solute or all solutes together does not change the major characteristics of primary damage. However, the chemical structure of the self-interstitial defects is strongly sensitive to the presence and distribution of Mn and Cu in the matrix. 20 keV cascades were also studied in the Fesbnd Nisbnd Mnsbnd Cu matrix containing <100> dislocation loops (with density of 1024 m-3 and size 2 nm). Two solute distributions were investigated, namely: a random one and one obtained by Metropolis Monte Carlo simulations from our previous work. The presence of the loops did not affect the defect production efficiency but slightly reduced the fraction of isolated self-interstitials and vacancies. The cascade event led to the transformation of the loops into ½<111> glissile configurations with a success rate of 10% in the matrix with random solute distribution, while all the pre-created loops remain stable if the alloy's distribution was applied using the Monte-Carlo method. This suggests that solute segregation to loops "stabilizes" the pre-existing loops against transformation or migration induced by collision cascades.

  5. Effects of vacancy defects on thermal conductivity in crystalline silicon: A nonequilibrium molecular dynamics study

    NASA Astrophysics Data System (ADS)

    Lee, Yongjin; Lee, Sangheon; Hwang, Gyeong S.

    2011-03-01

    We examine the effects of vacancy defects on thermal conductivity in bulk crystalline silicon (c-Si) using nonequilibrium molecular dynamics simulations. While most vacancies are thought to remain in the form of clusters in bulk c-Si, recent theoretical studies have predicted that small vacancy clusters energetically prefer to be fourfold coordinated by nullifying dangling bonds. Hence, in this work, we consider three different-sized fourfold vacancy clusters, tetra- (V4), hexa- (V6), and dodeca-vacancy (V12), with particular interest in studying how phonon transport is affected by vacancy concentration and cluster size in association with fourfold coordination-induced lattice distortions. Our simulations show that thermal conductivity (κ) rapidly drops with vacancy concentration (nv) with an inverse power-law relation (κ∝nv-α, with α ≈ 0.7-1.1 depending on cluster size); the presence of 1.5% vacancies leads to a 95% reduction in κ as compared to the defect free c-Si. When nv is low (<1%), the reduction of κ with nv appears to be a function of cluster size, and the size effect becomes unimportant as nv increases above 1%. We discuss the correlation between phone scattering and cluster size, based on the relative rates of phonon-vacancy scattering associated with defect-induced strain fields. We also estimate the dependence of phonon mean free path on vacancy concentration and cluster size.

  6. Cascade Screening in Familial Hypercholesterolemia: Advancing Forward.

    PubMed

    Santos, Raul D; Frauches, Thiago S; Chacra, Ana P M

    2015-01-01

    Familial hypercholesterolemia is a genetic disorder associated with elevated LDL-cholesterol and high lifetime cardiovascular risk. Both clinical and molecular cascade screening programs have been implemented to increase early definition and treatment. In this systematic review, we discuss the main issues found in 65 different articles related to cascade screening and familial hypercholesterolemia, covering a range of topics including different types/strategies, considerations both positive and negative regarding cascade screening in general and associated with the different strategies, cost and coverage consideration, direct and indirect contact with patients, public policy around life insurance and doctor-patient confidentiality, the "right to know," and public health concerns regarding familial hypercholesterolemia. PMID:26194978

  7. Gust Response Analysis of a Turbine Cascade

    NASA Technical Reports Server (NTRS)

    Gorla, R. S. R.; Reddy, T. S. R.; Reddy, D. R.; Kurkov, A. P.

    2001-01-01

    A study was made of the gust response of an annular turbine cascade using a two-dimensional Navier Stokes code. The time-marching CFD code, NPARC, was used to calculate the unsteady forces due to the fluid flow. The computational results were compared with a previously published experimental data for the annular cascade reported in the literature. Reduced frequency, Mach number and angle of incidence were varied independently and the gust velocity was sinusoidal. For the high inlet velocity case, the cascade was nearly choked.

  8. Cascades on clique-based graphs

    NASA Astrophysics Data System (ADS)

    Hackett, Adam; Gleeson, James P.

    2013-06-01

    We present an analytical approach to determining the expected cascade size in a broad range of dynamical models on the class of highly clustered random graphs introduced by Gleeson [J. P. Gleeson, Phys. Rev. EPLEEE81539-375510.1103/PhysRevE.80.036107 80, 036107 (2009)]. A condition for the existence of global cascades is also derived. Applications of this approach include analyses of percolation, and Watts's model. We show how our techniques can be used to study the effects of in-group bias in cascades on social networks.

  9. Interaction of 1/3?11 0?(0001) edge dislocation with point defect clusters created in displacement cascades in a-zirconium.

    SciTech Connect

    Voskoboinikov, Roman E; Osetskiy, Yury N; Bacon, David J

    2005-01-01

    Atomic-scale details of the interaction of a 1/3 11{bar 2}0 (0001) edge dislocation, which dissociates in the basal plane, with four typical vacancy and self-interstitial atom (SIA) clusters created by displacement cascades in a-zirconium are investigated by computer modelling. A triangular cluster of SIAs lying within a basal atomic plane adjacent to the dislocation glide plane is not absorbed by the dislocation but is pushed along by the leading partial. A 3-D SIA cluster lying across the glide plane is completely absorbed by the dislocation by creation of two super-jogs. The dislocation also climbs by interaction with a prismatic vacancy cluster, but only half of the vacancies are absorbed in this case. For a cluster formed from a basal platelet of vacancies, the dislocation experiences a glide resistance, but both the line and cluster are fully restored after breakaway. Stress-strain curves and the critical stress for dislocation breakaway from a cluster are presented.

  10. Magnetism of nitrogen-vacancy complexes in epitaxial graphene on SiC(0001)

    NASA Astrophysics Data System (ADS)

    Rhim, S. H.; Qi, Y.; Sun, G. F.; Liu, Y.; Weinert, M.; Li, L.

    2010-03-01

    We present a study of the magnetism of nitrogen impurity--vacancy complexes in epitaxial graphene on SiC(0001) using a combination of density functional calculations and scanning tunneling microscopy. Nitrogen-vacancy complexes are created by means of a nitrogen plasma. From the calculated energetics and by comparison with STM, the most probable configuration is found to have the vacancy and substitutional nitrogen at the nearest neighbor site. This configuration is non-magnetic, whereas other higher energy N-vacancy configurations (and the isolated vacancy) are magnetic. Adatoms such as H, C, and N, in combination with the nitrogen-vacancy complex, show a variety of magnetic behaviors, depending on both the adatom and its position.

  11. Correlation between crystallinity and oxygen vacancy formation in In-Ga-Zn oxide

    NASA Astrophysics Data System (ADS)

    Hiramatsu, Tomoki; Nakashima, Motoki; Kikuchi, Erumu; Ishihara, Noritaka; Tsubuku, Masashi; Dairiki, Koji; Yamazaki, Shunpei

    2016-02-01

    We study the effect of indium-gallium-zinc oxide (IGZO) crystallinity on oxygen vacancies that play an important role in the characteristics of IGZO-based devices. Optical and electrical measurements revealed that deep defect levels due to oxygen vacancies are largely eliminated in c-axis-aligned crystal IGZO (CAAC-IGZO), which has increased crystallinity without clear grain boundaries. In this study, the correlation between crystallinity and oxygen vacancy formation has been examined by first-principles calculations to investigate the effect of oxygen vacancies in IGZO. Furthermore, the likelihood of oxygen vacancy formation at an edge portion of single-crystal IGZO has been verified by observations of oxygen atoms at the edge region of the IGZO film by annular bright-field scanning transmission electron microscopy (ABF-STEM). Experimental and calculation results show that the high crystallinity of IGZO is important for the inhibition of oxygen vacancies.

  12. Lifetime of Ionic Vacancy Created in Redox Electrode Reaction Measured by Cyclotron MHD Electrode

    PubMed Central

    Sugiyama, Atsushi; Morimoto, Ryoichi; Osaka, Tetsuya; Mogi, Iwao; Asanuma, Miki; Miura, Makoto; Oshikiri, Yoshinobu; Yamauchi, Yusuke; Aogaki, Ryoichi

    2016-01-01

    The lifetimes of ionic vacancies created in ferricyanide-ferrocyanide redox reaction have been first measured by means of cyclotron magnetohydrodynamic electrode, which is composed of coaxial cylinders partly exposed as electrodes and placed vertically in an electrolytic solution under a vertical magnetic field, so that induced Lorentz force makes ionic vacancies circulate together with the solution along the circumferences. At low magnetic fields, due to low velocities, ionic vacancies once created become extinct on the way of returning, whereas at high magnetic fields, in enhanced velocities, they can come back to their initial birthplaces. Detecting the difference between these two states, we can measure the lifetime of ionic vacancy. As a result, the lifetimes of ionic vacancies created in the oxidation and reduction are the same, and the intrinsic lifetime is 1.25 s, and the formation time of nanobubble from the collision of ionic vacancies is 6.5 ms. PMID:26791269

  13. Lifetime of Ionic Vacancy Created in Redox Electrode Reaction Measured by Cyclotron MHD Electrode.

    PubMed

    Sugiyama, Atsushi; Morimoto, Ryoichi; Osaka, Tetsuya; Mogi, Iwao; Asanuma, Miki; Miura, Makoto; Oshikiri, Yoshinobu; Yamauchi, Yusuke; Aogaki, Ryoichi

    2016-01-01

    The lifetimes of ionic vacancies created in ferricyanide-ferrocyanide redox reaction have been first measured by means of cyclotron magnetohydrodynamic electrode, which is composed of coaxial cylinders partly exposed as electrodes and placed vertically in an electrolytic solution under a vertical magnetic field, so that induced Lorentz force makes ionic vacancies circulate together with the solution along the circumferences. At low magnetic fields, due to low velocities, ionic vacancies once created become extinct on the way of returning, whereas at high magnetic fields, in enhanced velocities, they can come back to their initial birthplaces. Detecting the difference between these two states, we can measure the lifetime of ionic vacancy. As a result, the lifetimes of ionic vacancies created in the oxidation and reduction are the same, and the intrinsic lifetime is 1.25 s, and the formation time of nanobubble from the collision of ionic vacancies is 6.5 ms. PMID:26791269

  14. Lifetime of Ionic Vacancy Created in Redox Electrode Reaction Measured by Cyclotron MHD Electrode

    NASA Astrophysics Data System (ADS)

    Sugiyama, Atsushi; Morimoto, Ryoichi; Osaka, Tetsuya; Mogi, Iwao; Asanuma, Miki; Miura, Makoto; Oshikiri, Yoshinobu; Yamauchi, Yusuke; Aogaki, Ryoichi

    2016-01-01

    The lifetimes of ionic vacancies created in ferricyanide-ferrocyanide redox reaction have been first measured by means of cyclotron magnetohydrodynamic electrode, which is composed of coaxial cylinders partly exposed as electrodes and placed vertically in an electrolytic solution under a vertical magnetic field, so that induced Lorentz force makes ionic vacancies circulate together with the solution along the circumferences. At low magnetic fields, due to low velocities, ionic vacancies once created become extinct on the way of returning, whereas at high magnetic fields, in enhanced velocities, they can come back to their initial birthplaces. Detecting the difference between these two states, we can measure the lifetime of ionic vacancy. As a result, the lifetimes of ionic vacancies created in the oxidation and reduction are the same, and the intrinsic lifetime is 1.25 s, and the formation time of nanobubble from the collision of ionic vacancies is 6.5 ms.

  15. Understanding the presence of vacancy clusters in ZnO from a kinetic perspective

    SciTech Connect

    Bang, Junhyeok; Kim, Youg-Sung; Park, Chenho; Gao, Fei; Zhang, Shengbai

    2014-09-02

    Vacancy clusters have been observed in ZnO, but their physical origin remains elusive. This is because under thermal equilibrium clusters typically have higher formation energies. Combining first-principles calculation and kinetic Monte Carlo (kMC) simulation, we determine the roles of non-equilibrium kinetics on the vacancy clustering. We find that clustering starts with the formation of Zn and O vacancy pairs (VZn-Vo), which further grow by attracting additional mono-vacancies. At this stage, vacancy diffusivity becomes crucial: due to the larger diffusivity of VZn compared to VO, more VZn-abundant clusters are formed than VO-abundant clusters. The large dissociation energies, e.g., 3 eV for (VZn-Vo), suggest that, once formed, it is difficult for the clusters to dissociate. As such, thermal annealing will increase the size of the clusters by promoting mono-vacancy diffusion, in agreement with experiment.

  16. Vacancies in fully hydrogenated boron nitride layer: implications for functional nanodevices

    SciTech Connect

    Zhou, Yungang; Wang, Zhiguo; Nie, JL; Yang, Ping; Sun, Xin; Khaleel, Mohammad A.; Zu, Xiaotao; Gao, Fei

    2012-03-01

    Using density functional theory, a series of calculations of structural and electronic properties of hydrogen vacancies in a fully hydrogenated boron nitride (fH-BN) layer were conducted. By dehydrogenating the fH-BN structure, B-terminated vacancies can be created which induce complete spin polarization around the Fermi level, irrespective of the vacancy size. On the contrary, the fH-BN structure with N-terminated vacancies can be a small-gap semiconductor, a typical spin gapless semiconductor, or a metal depending on the vacancy size. Utilizing such vacancy-induced band gap and magnetism changes, possible applications in spintronics are proposed, and a special fH-BN based quantum dot device is designed.

  17. Cascade-able spin torque logic gates with input-output isolation

    NASA Astrophysics Data System (ADS)

    Nikonov, Dmitri E.; Manipatruni, Sasikanth; Young, Ian A.

    2015-06-01

    Spin torque majority gate (STMG) is one of the promising options for beyond-complementary metal-oxide-semiconductor non-volatile logic circuits for normally-off computing. Modeling of prior schemes demonstrated logic completeness using majority operation and nonlinear transfer characteristics. However significant problems arose with cascade-ability and input output isolation manifesting as domain walls (DWs) stopping, reflecting off ends of wires or propagating back to the inputs. We introduce a new scheme to enable cascade-ability and isolation based on (a) in-plane DW automotion in interconnects, (b) exchange coupling of magnetization between two FM layers, and (c) ‘round-about’ topology for the majority gate. We performed micro-magnetic simulations that demonstrate switching operation of this STMG scheme. These circuits were verified to enable isolation of inputs from output signals and to be cascade-able without limitations.

  18. Mount Rainier active cascade volcano

    NASA Technical Reports Server (NTRS)

    1994-01-01

    Mount Rainier is one of about two dozen active or recently active volcanoes in the Cascade Range, an arc of volcanoes in the northwestern United States and Canada. The volcano is located about 35 kilometers southeast of the Seattle-Tacoma metropolitan area, which has a population of more than 2.5 million. This metropolitan area is the high technology industrial center of the Pacific Northwest and one of the commercial aircraft manufacturing centers of the United States. The rivers draining the volcano empty into Puget Sound, which has two major shipping ports, and into the Columbia River, a major shipping lane and home to approximately a million people in southwestern Washington and northwestern Oregon. Mount Rainier is an active volcano. It last erupted approximately 150 years ago, and numerous large floods and debris flows have been generated on its slopes during this century. More than 100,000 people live on the extensive mudflow deposits that have filled the rivers and valleys draining the volcano during the past 10,000 years. A major volcanic eruption or debris flow could kill thousands of residents and cripple the economy of the Pacific Northwest. Despite the potential for such danger, Mount Rainier has received little study. Most of the geologic work on Mount Rainier was done more than two decades ago. Fundamental topics such as the development, history, and stability of the volcano are poorly understood.

  19. Quantum Cascade Laser Frequency Combs

    NASA Astrophysics Data System (ADS)

    Faist, Jérôme; Villares, Gustavo; Scalari, Giacomo; Rösch, Markus; Bonzon, Christopher; Hugi, Andreas; Beck, Mattias

    2016-06-01

    It was recently demonstrated that broadband quantum cascade lasers can operate as frequency combs. As such, they operate under direct electrical pumping at both mid-infrared and THz frequencies, making them very attractive for dual-comb spectroscopy. Performance levels are continuously improving, with average powers over 100mW and frequency coverage of 100 cm-1 in the mid-infrared region. In the THz range, 10mW of average power and 600 GHz of frequency coverage are reported. As a result of the very short upper state lifetime of the gain medium, the mode proliferation in these sources arises from four-wave mixing rather than saturable absorption. As a result, their optical output is characterized by the tendency of small intensity modulation of the output power, and the relative phases of the modes to be similar to the ones of a frequency modulated laser. Recent results include the proof of comb operation down to a metrological level, the observation of a Schawlow-Townes broadened linewidth, as well as the first dual-comb spectroscopy measurements. The capability of the structure to integrate monothically nonlinear optical elements as well as to operate as a detector shows great promise for future chip integration of dual-comb systems.

  20. Lattice distortions and oxygen vacancies produced in Au+ irradiated nano-crystalline cubic zirconia

    SciTech Connect

    Edmondson, Philip D; Weber, William J; Namavar, Fereydoon; Zhang, Yanwen

    2011-01-01

    The structural impact of oxygen vacancies in nanocrystalline cubic zirconia is investigated. A non-equilibrium number of oxygen vacancies in introduced to the lattice by ion irradiation. The lattice is observed to be initially compressed, undergoes a relaxation at 0.7 displacements per atom (dpa), and experiences a contraction before reaching a temperature dependent steady state value at above 7 dpa. The level of lattice distortion is related to the charge state of the accumulating oxygen vacancies.

  1. Enhanced dielectric response of ZrO2 upon Ti doping and introduction of O vacancies

    NASA Astrophysics Data System (ADS)

    Dutta, Gargi; Hembram, K. P. S. S.; Rao, G. Mohan; Waghmare, Umesh V.

    2008-01-01

    We determine the electronic properties and dielectric response of zirconia (ZrO2) with oxygen vacancies (O vacancies) and Ti doping using first-principles density functional theory calculations based on pseudopotentials and a plane wave basis. We find significantly enhanced static dielectric response in zirconia with Ti doping and introduction of oxygen vacancies. Softening of phonon modes are responsible for the enhanced dielectric response of doped samples compared to pure zirconia.

  2. Dissociative diffusion mechanism in vacancy-rich materials according to mass action kinetics

    NASA Astrophysics Data System (ADS)

    Biderman, N. J.; Sundaramoorthy, R.; Haldar, Pradeep; Lloyd, J. R.

    2016-05-01

    Two sets of diffusion-reaction numerical simulations using a finite difference method (FDM) were conducted to investigate fast impurity diffusion via interstitial sites in vacancy-rich materials such as Cu(In,Ga)Se2 (CIGS) and Cu2ZnSn(S, Se)4 (CZTSSe or CZTS) via the dissociative diffusion mechanism where the interstitial diffuser ultimately reacts with a vacancy to produce a substitutional. The first set of simulations extends the standard interstitial-limited dissociative diffusion theory to vacancy-rich material conditions where vacancies are annihilated in large amounts, introducing non-equilibrium vacancy concentration profiles. The second simulation set explores the vacancy-limited dissociative diffusion where impurity incorporation increases the equilibrium vacancy concentration. In addition to diffusion profiles of varying concentrations and shapes that were obtained in all simulations, some of the profiles can be fitted with the constant- and limited-source solutions of Fick's second law despite the non-equilibrium condition induced by the interstitial-vacancy reaction. The first set of simulations reveals that the dissociative diffusion coefficient in vacancy-rich materials is inversely proportional to the initial vacancy concentration. In the second set of numerical simulations, impurity-induced changes in the vacancy concentration lead to distinctive diffusion profile shapes. The simulation results are also compared with published data of impurity diffusion in CIGS. According to the characteristic properties of diffusion profiles from the two set of simulations, experimental detection of the dissociative diffusion mechanism in vacancy-rich materials may be possible.

  3. Displacement Cascade Damage Production in Metals

    SciTech Connect

    Stoller, Roger E; Malerba, Lorenzo; Nordlund, Kai

    2015-01-01

    Radiation-induced changes in microstructure and mechanical properties in structural materials are the result of a complex set of physical processes initiated by the collision between an energetic particle (neutron or ion) and an atom in the lattice. This primary damage event is called an atomic displacement cascade. The simplest description of a displacement cascade is to view it as a series of many billiard-ball-like elastic collisions among the atoms in the material. This chapter describes the formation and evolution of this primary radiation damage mechanism to provide an overview of how stable defects are formed by displacement cascades, as well as the nature and morphology of the defects themselves. The impact of the relevant variables such as cascade energy and irradiation temperature is discussed, and defect formation in different materials is compared.

  4. Signalling pathways: jack of all cascades.

    PubMed

    Cahill, M A; Janknecht, R; Nordheim, A

    1996-01-01

    The transcription factors that bind the c-fos promoter element SRE are targeted by multiple, independent signalling cascades; the identities of these signalling pathways and their modes of activation are being elucidated. PMID:8805215

  5. Modeling and analysis of cascade solar cells

    NASA Technical Reports Server (NTRS)

    Ho, F. D.

    1986-01-01

    A brief review is given of the present status of the development of cascade solar cells. It is known that photovoltaic efficiencies can be improved through this development. The designs and calculations of the multijunction cells, however, are quite complicated. The main goal is to find a method which is a compromise between accuracy and simplicity for modeling a cascade solar cell. Three approaches are presently under way, among them (1) equivalent circuit approach, (2) numerical approach, and (3) analytical approach. Here, the first and the second approaches are discussed. The equivalent circuit approach using SPICE (Simulation Program, Integrated Circuit Emphasis) to the cascade cells and the cascade-cell array is highlighted. The methods of extracting parameters for modeling are discussed.

  6. MAP kinase cascades: scaffolding signal specificity.

    PubMed

    van Drogen, Frank; Peter, Matthias

    2002-01-22

    Scaffold proteins organize many MAP kinase pathways by interacting with several components of these cascades. Recent studies suggest that scaffold proteins provide local activation platforms that contribute to signal specificity by insulating different MAP kinase pathways. PMID:11818078

  7. Cascade Error Projection: A New Learning Algorithm

    NASA Technical Reports Server (NTRS)

    Duong, T. A.; Stubberud, A. R.; Daud, T.; Thakoor, A. P.

    1995-01-01

    A new neural network architecture and a hardware implementable learning algorithm is proposed. The algorithm, called cascade error projection (CEP), handles lack of precision and circuit noise better than existing algorithms.

  8. Determining the direction of a turbulent cascade

    NASA Astrophysics Data System (ADS)

    Goldburg, Walter; Cerbus, Rory

    2015-11-01

    In two-dimensional (2D) turbulence, one expects a cascade of energy to larger spatial scales, while the enstrophy cascade is to smaller ones. Here we present a new tool to study cascades using simple ideas borrowed from information theory. It is entirely unrelated to the Navier-Stoke's equations or any scaling arguments. We use the conditional entropy (conditioned uncertainty) of velocity fluctuations on one scale conditioned on another larger or smaller scale. If the entropy is larger after conditioning on larger scales rather than smaller ones, then the cascade is to smaller scales. By varying the scale of the velocity fluctuations used in the conditioning, we can test both direction and locality. We use these tools on experimental data taken from a flowing soap film, an approximately 2D turbulent flow. The Reynolds number is varied over a wide range to determine the entropy's scaling with Reynolds number OIST.

  9. SAMPLING CHARGED PARTICLES WITH CASCADE IMPACTORS

    EPA Science Inventory

    The report discusses three sets of experiments which demonstrate that a cascade impactor sampling a charged aerosol may yield a particle size distribution measurement that deviates from the time distribution. The distributions indicated more large particles and fewer small partic...

  10. Network effects, cascades and CCP interoperability

    NASA Astrophysics Data System (ADS)

    Feng, Xiaobing; Hu, Haibo; Pritsker, Matthew

    2014-03-01

    To control counterparty risk, financial regulations such as the Dodd Frank Act are increasingly requiring standardized derivatives trades to be cleared by central counterparties (CCPs). It is anticipated that in the near-term future, CCPs across the world will be linked through interoperability agreements that facilitate risk-sharing but also serve as a conduit for transmitting shocks. This paper theoretically studies a network with CCPs that are linked through interoperability arrangements, and studies the properties of the network that contribute to cascading failures. The magnitude of the cascading is theoretically related to the strength of network linkages, the size of the network, the logistic mapping coefficient, a stochastic effect and CCP's defense lines. Simulations indicate that larger network effects increase systemic risk from cascading failures. The size of the network N raises the threshold value of shock sizes that are required to generate cascades. Hence, the larger the network, the more robust it will be.

  11. A DATA REDUCTION SYSTEM FOR CASCADE IMPACTORS

    EPA Science Inventory

    The report describes a computer-based data reduction system for cascade impactors. The system utilizes impactor-specific calibration information, together with operating conditions and other pertinent information (e.g., stage weights, sampling duration), to determine particle siz...

  12. Oxygen vacancy ordering within anion-deficient Ceria

    SciTech Connect

    Hull, S.; Norberg, S.T.; Ahmed, I.; Eriksson, S.G.; Marrocchelli, D.; Madden, P.A.

    2009-10-15

    The structural properties of anion deficient ceria, CeO{sub 2-{delta}}, have been studied as a function of oxygen partial pressure, p(O{sub 2}), over the range 0>=log{sub 10p}(O{sub 2})>=-18.9 at 1273(2) K using the neutron powder diffraction technique. Rietveld refinement of the diffraction data collected on decreasing p(O{sub 2}) showed increases in the cubic lattice parameter, a, the oxygen nonstoichiometry, delta, and the isotropic thermal vibration parameters, u{sub Ce} and u{sub O}, starting at log{sub 10p}(O{sub 2}){approx}-11. The increases are continuous, but show a distinct kink at log{sub 10p}(O{sub 2}){approx}-14.5. Analysis of the total scattering (Bragg plus diffuse components) using reverse Monte Carlo (RMC) modelling indicates that the O{sup 2-} vacancies preferentially align as pairs in the <111> cubic directions as the degree of nonstoichiometry increases. This behaviour is discussed with reference to the chemical crystallography of the CeO{sub 2}-Ce{sub 2}O{sub 3} system at ambient temperature and, in particular, to the nature of the long-range ordering of O{sup 2-} vacancies within the crystal structure of Ce{sub 7}O{sub 12}. - Graphical abstract: Partial radial distribution function for oxygen vacancies within CeO{sub 1.710} at 1273 K (solid line) showing the increased tendency for local ordering in <111> directions compared to a random distribution (dashed line).

  13. Positron-annihilation spectroscopy of vacancy defects in aluminum

    SciTech Connect

    Chakraborty, B.; Berko, S.; Fluss, M.J.; Hoffmann, K.; Lippel, P.; Siegel, R.W.

    1982-06-01

    Positron-annihilation characteristics in a monovacancy and a divacancy in aluminium have been calculated self-consistently using a local density functional formalism, into which the many-body enhancement effects have been incorporated. Results for the theoretical two-dimensional angular correlation of annihilation radiation spectra are compared to experimental results obtained from an aluminum single crystal at 20/sup 0/C, where positrons annihilate from a Bloch-state, and at higher temperatures, 500/sup 0/C and 630/sup 0/C, where they annihilate primarily from vacancy-trapped states.

  14. Method for providing oxygen ion vacancies in lanthanide oxides

    DOEpatents

    Kay, D. Alan R.; Wilson, William G.

    1989-12-05

    A method for desulfurization of fuel gases resulting from the incomplete combustion of sulfur containing hydrocarbons whereby the gases are treated with lanthanide oxides containing large numbers of oxygen-ion vacancies providing ionic porosity which enhances the ability of the lanthanide oxides to react more rapidly and completely with the sulfur in the fuel gases whereby the sulfur in such gases is reduced to low levels suitable for fuels for firing into boilers of power plants generating electricity with steam turbine driven generators, gas turbines, fuel cells and precursors for liquid fuels such as methanol and the like.

  15. Utilizing nitrogen-vacancy centers to measure oscillating magnetic fields

    NASA Astrophysics Data System (ADS)

    Chaudhry, Adam Zaman

    2014-10-01

    We show how nitrogen-vacancy centers can be used to determine the amplitude, phase, and frequency of unknown weak monochromatic and multichromatic oscillating magnetic fields using only the periodic dynamical decoupling and Carr-Purcell-Meiboom-Gill sequences. The effect of decoherence on the measurement of the magnetic field parameters is explicitly analyzed, and we take into account the fact that different pulse sequences suppress decoherence to different extents. Since the sensitivity increases with increasing sensing time while it decreases due to decoherence and limited photon detection efficiency, we use the Fisher information matrix in order to optimize the number of pulses that should be used.

  16. Nanoscale NMR and NQR with Nitrogen Vacancy Centers

    NASA Astrophysics Data System (ADS)

    Urbach, Elana; Lovchinsky, Igor; Sanchez-Yamagishi, Javier; Choi, Soonwon; Bylinskii, Alexei; Dwyer, Bo; Andersen, Trond; Sushkov, Alex; Park, Hongkun; Lukin, Mikhail

    2016-05-01

    Nuclear quadrupole resonance (NQR) is a powerful tool which is used to detect quadrupolar interaction in nuclear spins with I > 1/2. Conventional NQR and NMR technology, however, rely on measuring magnetic fields from a macroscopic number of spins. Extending NMR and NQR techniques to the nanoscale could allow us to learn structural information about interesting materials and biomolecules. We present recent progress on using Nitrogen-Vacancy (NV) centers in diamond to perform room temperature nanoscale NMR and NQR spectroscopy on small numbers of nuclear spins in hexagonal boron nitride.

  17. Vacancy formation and extraction energies in semiconductor compounds and alloys

    NASA Technical Reports Server (NTRS)

    Berding, M. A.; Sher, A.; Chen, A.-B.

    1990-01-01

    A model for calculating the extraction energies and vacancy-formation energies in diamond-cubic and zinc-blende semiconductors is developed on the basis of Harrison's (1980, 1983) tight-binding theory. The extraction energies provide a reference from which other final states of the removed atoms can be calculated. The results of calculations show that, in a given compound, the calculated extraction energies are larger for the anion than for the cation, with the difference between the cation and the anion being larger in the II-VI than in the III-V compounds. This is in agreement with experimental results.

  18. Alignment of the diamond nitrogen vacancy center by strain engineering

    SciTech Connect

    Karin, Todd; Dunham, Scott; Fu, Kai-Mei

    2014-08-04

    The nitrogen vacancy (NV) center in diamond is a sensitive probe of magnetic field and a promising qubit candidate for quantum information processing. The performance of many NV-based devices improves by aligning the NV(s) parallel to a single crystallographic direction. Using ab initio theoretical techniques, we show that NV orientation can be controlled by high-temperature annealing in the presence of strain under currently accessible experimental conditions. We find that (89 ± 7)% of NVs align along the [111] crystallographic direction under 2% compressive biaxial strain (perpendicular to [111]) and an annealing temperature of 970 °C.

  19. Universal Superadiabatic Geometric Quantum Gates in Nitrogen-Vacancy Centers

    NASA Astrophysics Data System (ADS)

    Yan, Hui; Liang, Zhengtao; Zhu, Shiliang

    We propose a scheme to implement a universal set of quantum gates based on geometric phases and superadiabatic quantum control. The proposed quantum gates consolidate the advantages of both strategies for robust and fast. The diamond nitrogen-vacancy center system is adopted as a typical example to illustrate the scheme. We show those gates can be realized in a simple two-level configuration by appropriately controlling the amplitude, phase and frequency of just one microwave field. The robust and fast features are confirmed by comparing the fidelities of the proposed superadiabatic geometric phase gate with three other kinds of phase gates.

  20. Experimental determination of unsteady blade element aerodynamics in cascades. Volume 2: Translation mode cascade

    NASA Technical Reports Server (NTRS)

    Riffel, R. E.; Rothrock, M. D.

    1980-01-01

    A two dimensional cascade of harmonically oscillating airfoils was designed to model a near tip section from a rotor which was known to have experienced supersonic translational model flutter. This five bladed cascade had a solidity of 1.52 and a setting angle of 0.90 rad. Unique graphite epoxy airfoils were fabricated to achieve the realistic high reduced frequency level of 0.15. The cascade was tested over a range of static pressure ratios approximating the blade element operating conditions of the rotor along a constant speed line which penetrated the flutter boundary. The time steady and time unsteady flow field surrounding the center cascade airfoil were investigated.