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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. Vacancy cascades in small molecules following x-ray inner shell photoionization

    NASA Astrophysics Data System (ADS)

    Ray, D.; Dunford, R. W.; Southworth, S. H.; Kanter, E. P.; Doumy, G.; Gao, Y.; Ho, P. J.; Picon, A.

    2014-05-01

    We are investigating molecular effects in vacancy cascades of small molecules containing heavy atoms - IBr, Br2 and CH2BrI - following K-shell ionization. In addition to fundamental interest in the physics of such decay processes, there are practical applications such as medical treatments that use energetic fragmentation of iodinated compounds with high energy x-rays to selectively treat tumorous cells. Other biological applications are also promising. We utilize the tunable monochromatic x-ray beam at the Advanced Photon Source to trigger K-shell photoionization of Br and I, and measure charge distributions and the kinetic energies released to the fragment ions. A newly designed detection device allows us to do multi-fold coincidence measurements involving momentum imaging of all the ion fragments with very high detection efficiency in coincidence with x-ray fluorescence detection. By comparing the molecular fragmentation probabilities and the kinetic energies released in Br2, IBr and CH2BrI we aim to gain understanding of the fragmentation mechanism as a function of the bond distance between I and Br. 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.

  3. Yields of multiply charged ions in cascading decays of hollow argon and krypton with two initial vacancies in their K and/or L shells.

    PubMed

    Kochur, A

    2001-03-01

    The yields of multiply charged ions produced by the cascading decay of doubly-inner-shell-ionized argon and krypton atoms are calculated via straightforward construction of de-excitation trees. The final-ion-charge spectra are found to be sensitive to the distribution of initial vacancies within K and L shells.

  4. 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.

  5. CASCADES AFTER K-VACANCY PRODUCTION IN ATOMS AND IONS OF LIGHT ELEMENTS

    SciTech Connect

    Kucas, S.; Karazija, R.; Momkauskaite, A.

    2012-05-10

    The results of detailed level-by-level calculations of Auger and radiative cascades after K-vacancy production are presented for the astrophysically important elements, namely Ne, Mg, Si, S, and Ar. Calculations are performed using the single-configuration, quasi-relativistic approximation. The whole isonuclear sequence of ions for a given element is considered. For the first time, the dependence of the cascade on the initial vacancy state is investigated. The populations are presented not only for the levels of the final configurations, but also for the levels of the excited configurations after the Auger transitions. An intense characteristic emission can be observed from such levels.

  6. CASCADES AFTER K-VACANCY PRODUCTION AND ADDITIONAL IONIZATION OR EXCITATION IN ATOMS OF LIGHT ELEMENTS

    SciTech Connect

    Kucas, S.; Momkauskaitė, A.; Karazija, R.

    2015-09-01

    The results of Auger and radiative cascades after the production of a vacancy in the K-shell and the additional ionization or excitation of the other shell are presented for the various ions of astrophysically important elements, namely, Ne, Mg, Si, S, and Ar. The detailed level-by-level calculations are performed using a single-configuration quasi-relativistic approximation. The populations of the levels of the excited configurations produced during a cascade as well as for the final ions are presented. These data enable us to take into account two-electron processes at the K-shell ionization, and thus to supplement the results of our earlier investigation of K-vacancy cascades.

  7. 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.

  8. Inner-shell ionization of lithium-like chromium ions

    SciTech Connect

    Vogel, D.A.; Beiersdorfer, P.; Marrs, R.E.; Wong, K.L.; Zasadzinski, R.

    1990-09-07

    We have used high-resolution x-ray spectroscopy to investigate inner-shell ionization of Cr{sup 21+} ions by electron impact using the Electron Beam Ion Trap at Lawrence Livermore Laboratory. Our measurements indicate that inner-shell ionization enhances the intensity of the radiative transition 1s2s {sup 3}S{sub 1}{yields}1s{sup 2}{sup 1}S{sub 0}. 7 refs., 4 figs., 1 tab.

  9. 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.

  10. Polarization transfer in the inner-shell photoionization of sodiumlike ions

    SciTech Connect

    Sharma, L.; Surzhykov, A.; Inal, M. K.; Fritzsche, S.

    2010-02-15

    The inner-shell photoionization of highly charged ions is studied, together with their subsequent radiative decay, within the framework of the density matrix theory and the multiconfiguration Dirac-Fock (MCDF) approach. For the subsequent radiative decay of the ions, we investigate in particular how the linear polarization of characteristic radiation is affected if the incident light is itself polarized. Detailed calculations are performed for the 2p{sup 5}3s{yields}2p{sup 6} radiative transitions following the production of a 2p vacancy in the sodiumlike Fe{sup 15+}, W{sup 63+}, and U{sup 81+} ions. From these calculations, it is shown that the (degree of) linear polarization of the characteristic radiation may be enhanced by a factor of 2 due to the polarization transfer from the incident light.

  11. 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.

  12. Two-photon inner-shell transitions in molybdenum

    NASA Astrophysics Data System (ADS)

    Bannett, Yigal B.; Freund, Isaac

    1984-07-01

    The two-photon x-ray emission spectra of inner-shell transitions in metallic Mo have been studied using large-area energy-dispersive Si(Li) detectors and fast, computer-controlled, time-coincidence electronics. The discrete energy-summation spectrum displays a peak at 17.1 keV corresponding to the expected 2s-->1s transition, as well as a second, more intense peak at 19.7 keV. Based upon very recent analytical H-atom calculations by Florescu, this latter peak is tentatively identified as due primarily to 3d-->1s transitions. The continuous two-photon spectrum has also been measured on an absolute intensity scale and compared with a frozen-orbital calculation based upon direct summation of the second-order perturbation expansion for the relevant matrix elements. For the 2s-->1s transition, excellent quantitative agreement is found using the self-consistent-field Hartree-Fock wave functions of Clementi and Roetti. The same calculation predicts that the 3s-->1s transition is of negligible relative amplitude. Because the calculational method is inapplicable to d states, a simple closure approximation is developed which is found to be reasonably good for both the 2s and 3s two-photon transitions, but apparently fails for the 3d transition since it predicts a result which is relatively much too small. Our data are the first for inner-shell transitions and it is anticipated that further developments in both instrumentation and in theory will yield a new, rich, multiphoton inner-shell spectroscopy.

  13. Inner-shell photoionized x-ray lasers

    SciTech Connect

    Moon, Stephen J.

    1998-09-01

    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 Å 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 ~ 15 μm. 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-α 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 ~ 10-7 resulting in an output energy of μJ's. They calculate that a driving laser with a pulse duration of 40 fs, a 10μm x 1 cm line focus, and an energy of 1 J gives an effective gain length product (gl) of 10 in C at 45 Å. At saturation (gl ~ 18) they expect an output of ~ 0.1 μJ per pulse. The short duration of x-ray lasing (< 100 fs) combined with a 10-Hz

  14. 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.

  15. Multiphoton inner-shell ionization of the carbon atom

    NASA Astrophysics Data System (ADS)

    Rey, H. F.; van der Hart, H. W.

    2015-07-01

    We apply time-dependent R -matrix theory to study inner-shell ionization of C atoms in ultrashort high-frequency light fields with a photon energy between 170 and 245 eV. At an intensity of 1017 W /cm2, ionization is dominated by single-photon emission of a 2 ℓ electron, with two-photon emission of a 1 s electron accounting for about 2-3% of all emission processes, and two-photon emission of 2 ℓ contributing about 0.5-1%. Three-photon emission of a 1 s electron is estimated to contribute about 0.01-0.03%. Around a photon energy of 225 eV, two-photon emission of a 1 s electron, leaving C+ in either 1 s 2 s 2 p3 or 1 s 2 p4 , is resonantly enhanced by intermediate 1 s 2 s22 p3 states. The results demonstrate the capability of time-dependent R -matrix theory to describe inner-shell ionization processes including rearrangement of the outer electrons.

  16. 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.

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

    PubMed

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

    2016-02-12

    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.

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

    NASA Astrophysics Data System (ADS)

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

    2016-02-01

    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.

  19. 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

  20. Density functional computations for inner-shell excitation spectroscopy

    NASA Astrophysics Data System (ADS)

    Hu, Ching-Han; Chong, Delano P.

    1996-11-01

    The 1 s → π ∗ inner-shell excitation spectra of seven molecules have been studied using density functional theory along with the unrestricted generalized transition state (uGTS) approach. The exchange-correlation potential is based on a combined functional of Becke's exchange (B88) and Perdew's correlation (P86). A scaling procedure based on Clementi and Raimondi's rules for atomic screening is applied to the cc-pVTZ basis set of atoms where a partial core-hole is created in the uGTS calculations. The average absolute deviation between our predicted 1 s → π ∗ excitations eneergies and experimental values is only 0.16 eV. Singlet-triplet splittings of C 1 s → π ∗ transitions of CO, C 2H 2, C 2H 4, and C 6H 6 also agree with experimental observations. The average absolute deviation of our predicted core-electron binding energies and term values is 0.23 and 0.29 eV, respectively.

  1. Inner shell excitation of Cu, Ag and Au

    NASA Astrophysics Data System (ADS)

    Stauffer, Allan; McEachran, Robert

    2016-09-01

    The ground states of Cu, Ag and Au have the configuration nd10(n +1)s with n = 3, 4 and 5. The lowest excited manifold for Cu and Au has the configuration nd9(n +1)s2 which is well separated from the next excited manifold nd10(n +1)p. However, for Ag, the lowest 4d95s2 level with J = 5/2 lies between the two levels of the 4d105p manifold. In we compared our Relativistic Distorted Wave calculations for the excitation of the 4d105p manifold with experimental measurements which would have included a contribution from the 4d95s2 J = 5/2 level. While we do not expect the cross section for this forbidden transition to be large compared to the optical allowed transitions of the P levels, we decided to investigate excitation of these inner shell levels, in part because they are the lowest excited levels in Cu and Au, We will discuss the theoretical expressions for these excitations as well as give numerical results of our cross section calculations.

  2. Electron spectroscopy studies of argon K-shell excitation and vacancy cascades

    SciTech Connect

    Southworth, S.H.; MacDonald, M.A.; LeBrun, T.; Azuma, Y.; Cooper, J.W.

    1995-02-01

    Electron spectroscopy combined with tunable synchrotron radiation has been used for studies of Ar K-shell excitation and vacancy decay processes. In addition, electrons and fluorescent X-rays have been recorded in coincidence to select subsets of the ejected electron spectra. Examples are presented for Ar 1s photoelectrons and KLL and LMM Auger spectra.

  3. 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.

  4. Contribution of inner shell Compton ionization to the X-ray fluorescence line intensity

    NASA Astrophysics Data System (ADS)

    Fernández, Jorge E.; Scot, Viviana; Di Giulio, Eugenio

    2016-10-01

    The Compton effect is a potential ionization mechanism of atoms. It produces vacancies in inner shells that are filled with the same mechanism of atomic relaxation as the one following photo-absorption. This contribution to X-ray fluorescence emission is frequently neglected because the total Compton cross-section is apparently much lower than the photoelectric one at useful X-ray energies. However, a more careful analysis suggests that is necessary to consider single shell cross sections (instead of total cross sections) as a function of energy. In this article these Compton cross sections are computed for the shells K, L1-L3 and M1-M5 in the framework of the impulse approximation. By comparing the Compton and the photoelectric cross-section for each shell it is then possible to determine the extent of the Compton correction to the intensity of the corresponding characteristic lines. It is shown that for the K shell the correction becomes relevant for excitation energies which are too high to be influent in X-ray spectrometry. In contrast, for L and M shells the Compton contribution is relevant for medium-Z elements and medium energies. To illustrate the different grades of relevance of the correction, for each ionized shell, the energies for which the Compton contribution reaches the extent levels of 1, 5, 10, 20, 50 and 100% of the photoelectric one are determined for all the elements with Z = 11-92. For practical applications it is provided a simple formula and fitting coefficients to compute average correction levels for the shells considered.

  5. The Attachment of Amino Fragment to Purine: Inner-Shell Structures And Spectra

    SciTech Connect

    Saha, Saumitra; Wang, Feng; MacNaughton, Janay B.; Moewes, Alex; Chong, Denalo P.; /British Columbia U.

    2009-05-11

    The impact of the amino fragment (-NH{sub 2}) attachment on the inner-shell structures and spectra of unsubstituted purine and the purine ring of adenine are studied. Density functional theory calculations, using the LB94/TZ2P//B3LYP/TZVP model, reveal significant site-dependent electronic structural changes in the inner shell of the species. A condensed Fukui function indicates that all of the N and C sites, except for N{sub (1)} and C{sub (5)}, demonstrate significant electrophilic reactivity (f > 0.5 in |e|) in the unsubstituted purine. Once the amino fragment binds to the C{sub (6)} position of purine to form adenine, the electrophilic reactivity of these N and C sites is greatly reduced. As expected, the C{sub (6)} position experiences substantial changes in energy and charge transfer, owing to the formation of the C-NH{sub 2} bond in adenine. The present study reveals that the N1s spectra of adenine inherit the N1s spectra of the unsubstituted purine, whereas the C1s spectra experience significant changes although purine and adenine have geometrically similar carbon frames. The findings also indicate that the attachment of the NH{sub 2} fragment to purine exhibits deeply rooted influences to the inner-shell structures of DNA/RNA bases. The present study suggests that some fragment-based methods may not be applicable to spectral analyses in the inner shell.

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

    NASA Astrophysics Data System (ADS)

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

    2014-12-01

    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.

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

    PubMed

    Dwyer, C

    2005-09-01

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

  8. Separation of two-electron photoexcited atomic processes near the inner-shell threshold.

    PubMed

    Kavcic, M; Zitnik, M; Bucar, K; Mihelic, A; Stuhec, M; Szlachetko, J; Cao, W; Alonso Mori, R; Glatzel, P

    2009-04-10

    By means of a high resolution resonant inelastic x-ray scattering spectroscopy, we have for the first time separated spectral features pertaining to different two-electron atomic processes in the vicinity of an inner-shell threshold. Contributions of shakeoff, shakeup, and resonant 1s3p double excitations were extracted from the Ar KM-M{2,3}M x-ray satellite line intensity measured as a function of photon energy from [1s3p] double excitation threshold to saturation. The isolated [1s3p]nln'l' excitation spectrum is critically compared to the outcome of the multiconfiguration Dirac-Fock model with relaxation.

  9. 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.

  10. 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.

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

    DOE PAGES

    Wang, Xu; Le, Anh -Thu; Yu, Chao; ...

    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

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

    SciTech Connect

    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, 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.

  13. 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

  14. 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.

  15. 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.

  16. 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.

  17. Inner-shell electron spectroscopy and chemical properties of atoms and small molecules

    SciTech Connect

    T. Darrah Thomas

    2009-01-21

    The program has been concerned with gas-phase carbon 1s photoelectron spectroscopy of a number of molecules of potential chemical interest. The primary goals have been to determine carbon 1s ionization energies with a view of relating these to other chemical properties such as electronegativity, acidity, basicity, and reactivity, in order to provide a better understanding of these fundamental properties. The role of electron-donating (methyl) and electron-withdrawing (fluoro) substituents on the carbon 1s ionization energies of substituted benzenes has been studied., and these results have been related to measurements of the reactivities of the same molecule as well as to their affinities for protons (basicity). Opportunities for investigation in unplanned areas have arisen, and the program has been modified to take advantage of these. One has been the realization that, under certain circumstances, inner-shell ionization energies may depend on the molecular conformation. Several examples of this phenomenon have been investigated and it has been shown that this technique provides a tool for the measurement of the energy differences between different conformers of the same substance. The other has been the demonstration that photoelectron recoil can lead to the excitation of vibrational modes that are forbidden in the normal view of photoemission and to rotational heating of the molecule that increases with the energy of the exciting radiation.

  18. 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.

  19. Optical oscillator strengths for valence-shell and Br-3d inner-shell excitations of HCl and HBr.

    PubMed

    Li, Wen-Bin; Zhu, Lin-Fan; Yuan, Zhen-Sheng; Liu, Xiao-Jing; Xu, Ke-Zun

    2006-10-21

    Absolute optical oscillator strength density spectra for valence-shell excitations of HCl and HBr, as well as for Br-3d inner-shell excitations of HBr, have been determined by high-resolution electron-energy-loss-spectroscopy method in the dipole limit. Absolute optical oscillator strengths for the discrete transitions of HCl and HBr are reported and compared with the previous results determined by the photoabsorption method.

  20. Selective Fragmentation of Radiation-Sensitive Novel Polymeric Resist Materials by Inner-Shell Irradiation.

    PubMed

    Chagas, Gabriela Ramos; Satyanarayana, Vardhineedi Sri Venkata; Kessler, Felipe; Belmonte, Guilherme Kretzmann; Gonsalves, Kenneth E; Weibel, Daniel Eduardo

    2015-08-05

    Two key concepts in extreme ultraviolet lithography (EUVL) are important for it to be a candidate for the mass production of future integrated circuits: the polymer formulation and the photofragmentation process. In this work, both concepts were carefully studied. The design and synthesis of radiation-sensitive organic polymeric materials based on the inclusion of a radiation-sensitive tetrahydrothiophenium functional group are outlined. A 1-(4-methacryloyoxy)naphthalene-1-yl)tetrahydro-1H-thiophenium trifluoromethanesulfonate (MANTMS) monomer containing the tetrahydrothiophenium group undergoes homo- and copolymerizations using free-radical polymerization with a 2,2'-azobis(isobutyronitrile) initiator. The surface photodegradation and oxidation of these novel polymeric materials were investigated using highly monochromatized soft X-rays from synchrotron radiation at the carbon K-edge excitation region. An efficient functionalization was observed when the excitation energy was tuned to C 1s → π*C═C. A high rate of defluorination and a loss of sulfonated groups as a result of an increase in the irradiation time for the MANTMS homopolymer thin films were mainly observed under the π*C═C excitation of the naphthyl functional groups. On the contrary, excitation similar to C 1s → π*C═O or C 1s → σ*C-F did not produce important degradation, showing a highly selective process of bond breaking. Additionally, the presence of methyl methacrylate copolymer in the original MANTMS yielded a much higher degree of stability against inner-shell radiation damage. Our results highlight the importance of choosing the right polymer formulation and excitation energy to produce a sensitive material for EUVL without using the concept of chemical amplification.

  1. 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.

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

    SciTech Connect

    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 dependence spectra are compared with literature data obtained using the soft X-ray activation conditions.

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

    DOE PAGES

    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

  4. 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.

  5. Direct observation of ring-opening dynamics in strong-field ionized selenophene using femtosecond inner-shell absorption spectroscopy

    NASA Astrophysics Data System (ADS)

    Lackner, Florian; Chatterley, Adam S.; Pemmaraju, C. D.; Closser, Kristina D.; Prendergast, David; Neumark, Daniel M.; Leone, Stephen R.; Gessner, Oliver

    2016-12-01

    Femtosecond extreme ultraviolet transient absorption spectroscopy is used to explore strong-field ionization induced dynamics in selenophene (C4H4Se). The dynamics are monitored in real-time from the viewpoint of the Se atom by recording the temporal evolution of element-specific spectral features near the Se 3d inner-shell absorption edge (˜58 eV). The interpretation of the experimental results is supported by first-principles time-dependent density functional theory calculations. The experiments simultaneously capture the instantaneous population of stable molecular ions, the emergence and decay of excited cation states, and the appearance of atomic fragments. The experiments reveal, in particular, insight into the strong-field induced ring-opening dynamics in the selenophene cation, which are traced by the emergence of non-cyclic molecules as well as the liberation of Se+ ions within an overall time scale of approximately 170 fs. We propose that both products may be associated with dynamics on the same electronic surfaces but with different degrees of vibrational excitation. The time-dependent inner-shell absorption features provide direct evidence for a complex relaxation mechanism that may be approximated by a two-step model, whereby the initially prepared, excited cyclic cation decays within τ1 = 80 ± 30 fs into a transient molecular species, which then gives rise to the emergence of bare Se+ and ring-open cations within an additional τ2 = 80 ± 30 fs. The combined experimental and theoretical results suggest a close relationship between σ* excited cation states and the observed ring-opening reactions. The findings demonstrate that the combination of femtosecond time-resolved core-level spectroscopy with ab initio estimates of spectroscopic signatures provide new insights into complex, ultrafast photochemical reactions such as ring-opening dynamics in organic molecules in real-time and with simultaneous sensitivity for electronic and structural

  6. 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.

  7. High-gain inner-shell photoionization laser in Cd vapor pumped by soft-x-ray radiation from a laser-produced plasma source.

    PubMed

    Silfvast, W T; Macklin, J J; Ii, O R

    1983-11-01

    A soft-x-ray-pumped inner-shell photoionization laser has been produced in Cd vapor at 4416 and 3250 A. A gain of 5.6 cm(-1) has been measured at 4416 A, and a reasonably high-energy storage of 0.2 mJ/cm(3) in the upper laser states has been obtained.

  8. 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.

  9. Investigation of a vortex in Coulomb-Born calculations of inner-shell ionization of carbon by electron impact

    NASA Astrophysics Data System (ADS)

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

    2013-05-01

    Previously, we reported vortices in Coulomb-Born calculations of inner-shell ionization of carbon by electron impact. A vortex was obtained for the kinematics of an incident energy Ei = 1801 . 2 eV , scattering angle θf =4° , energy of the ejected electron Ek = 5 . 524 eV and angle of the ejected electron θk =239° . We showed that for this set of kinematics, the real and imaginary parts of the T-matrix are zero at the same angle (to a good approximation). Furthermore, we showed the velocity field rotates about the position of the vortex. Recently, following the treatment of Botero and Macek, we decomposed the Coulomb-Born T-matrix into its multipole components. We show that the T-matrix and the quintuple differential cross section obtained by simply adding the l = 1 , m = +/- 1 multipole components to the l = 0 --> 4 , m = 0 components is very close to the Coulomb-Born T-matrix and the quintuple differential cross section, respectively. Our analysis shows the importance of the l = 1 , m = +/- 1 multipole components in obtaining a vortex in the Coulomb-Born calculation. S.J.W. acknowledges support from NSF under grant no. PHYS-0968638. J.H.M. acknowledges support by the D.O.E. under grant number DE-FG02-02ER15283.

  10. 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

    2015-08-06

    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.

  11. 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.

  12. 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.

  13. Inner-shell capture and ionization in collisions of H+, He2+, and Li3+ projectiles with neon and carbon

    NASA Astrophysics Data System (ADS)

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

    1981-02-01

    Theoretical methods used previously for H+, He2+, and C6+ collisions with neutral argon atoms have been applied to collisions of H+, He2+, and Li3+ projectiles with neon, and to collisions of H+ 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 σIPMVK, and cross sections σIPMC,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 Rødbro et al. at Aarhus. In particular, the calculated, as well as the experimental, σC,VK scale with projectile nuclear charge Zp less strongly than the Z5p of the Oppenheimer-Brinkman-Kramers (OBK) approximation. For He2+ and Li3+ projectiles at collision energies below where experimental data are available, our calculated multielectron corrections to the single-electron approximation for σC,VK are large.

  14. Inner-shell resonant absorption effects on evolution dynamics of the charge state distribution in a neon atom interacting with ultraintense x-ray pulses

    NASA Astrophysics Data System (ADS)

    Xiang, Wenjun; Gao, Cheng; Fu, Yongsheng; Zeng, Jiaolong; Yuan, Jianmin

    2012-12-01

    Inner-shell resonant absorption (IRA) effects were investigated on evolution dynamics of charge state distribution (CSD) in the interaction of ultraintense x-ray pulses with a neon atom. IRA is the physical origin of the large discrepancies found between theory and experiment at a photon energy of 1050 eV [L. Young , Nature (London)NATUAS0028-083610.1038/nature09177 466, 56 (2010)], where the rates of K-shell resonant absorption 1s→4p of Ne6+ and 1s→3p of Ne7+ are larger than the direct single-photon ionization rates by more than one order of magnitude, and hence IRA becomes the dominant absorption mechanism. Only when the IRA effects are properly taken into account can we correctly explain the observed CSD.

  15. 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.

  16. 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.

  17. 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.

  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. Polarization and Angular Distribution of Ll X-Ray Following Inner-Shell 2p3/2 Photoionization of Magnesium-Like Ions

    NASA Astrophysics Data System (ADS)

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

    2014-05-01

    The inner-shell 2p3/2 photoionization and the subsequent decay of Mg-like Fe14+, Cd36+, W62+ and U80+ ions are studied theoretically within the multiconfiguration Dirac—Fock method and the density matrix theory. Special attention is paid to exploring the influence of the non-dipole terms which arise from the multipole expansion of the electron-photon interaction in the photoionization process. The results show that the non-dipole contribution to the total cross section, the magnetic sublevels cross section of the photoionization process, the degree of linear polarization and angular distribution of the subsequent characteristic x-ray radiation become more important with the increase of photons energy and atomic nuclear Z. Especially for the cross section and the degree of linear polarization, the non-dipole contribution arrives at 50% for U80+ at four time energy threshold units. However, for the angular distribution, the maximum contribution does not exceed 4%, even for U80+ ions.

  1. Inner-shell promotions in low-energy Li+-Al collisions at clean and alkali-covered Al(100) surfaces

    NASA Astrophysics Data System (ADS)

    German, K. A. H.; Weare, C. B.; Yarmoff, J. A.

    1994-11-01

    Spectra of scattered ions and ion-induced electron emissions are used to investigate the electronic processes that occur during 0.4-5.0-keV Li+ bombardment of clean and alkali-atom-covered Al(100). The results show that Li 1s electrons are promoted during hard Li-Al collisions, but not during Li-K or Li-Na collisions. Consequences of the inner-shell electron promotions are evident in the inelastic loss, neutralization behavior, and electron emissions of the scattered Li particles. Spectra of scattered Li+ ions exhibit discrete-loss features, which are resistant to the usual increase in resonant neutralization that accompanies the deposition of alkali atoms on the surface. The loss features are due to Li 1s excitation via electron promotion, while the production of ions away from the surface via autoionization is responsible for their lack of response to alkali-atom adsorption. Spectra of ion-induced electron emissions confirm that Li*(1s2s2) is produced and that it undergoes autoionization.

  2. 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.

  3. Linear polarization of the 2p{sup 5}3s{yields}2p{sup 6} lines following the inner-shell photoionization of sodiumlike ions

    SciTech Connect

    Inal, M.K.; Surzhykov, A.; Fritzsche, S.

    2005-10-15

    The inner-shell photoionization of highly charged, many-electron ions and their subsequent radiative decay are studied theoretically within the multiconfiguration Dirac-Fock approach. Special attention is paid to the linear polarization of the characteristic x-ray radiation. Detailed calculations have been carried out, in particular for the 2p{sup 5}3s{yields}2p{sup 6} radiative transitions following ionization of the 2p electron of the sodiumlike iron Fe{sup 15+} and uranium U{sup 81+} ions. For these elements, the inner-shell photoionization was found to induce the (relatively) low linear polarization of the subsequently emitted photons which is strongly affected, moreover, by the higher-order (nondipole) effects in the electron-photon interaction.

  4. 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.

  5. 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.

  6. Effects of internal hydrogen on the vacancy loop formation probability in Al

    SciTech Connect

    Bui, T.X.; Sirois, E.; Robertson, I.M. . Dept. of Materials Science and Engineering); Kirk, M.A. )

    1990-04-01

    The effect of internal hydrogen on the formation of vacancy dislocation loops from heavy-ion generated displacement cascades in Al has been investigated. Samples of high-purity aluminum and aluminum containing 900 and 1300 appM of hydrogen were irradiated at room temperature with 50 keV Kr+ ions. The ion dose rate was typically 2 {times} 10{sup 10}ions cm{sup {minus}2} sec{sup {minus}1} and the ion dose was between 10{sup 11} and 10{sup 13} ion cm{sup {minus}2}. Under these irradiation conditions, dislocation loops were observed in all compositions, although the formation probability was relatively low (less than 10 percent of the displacement cascades produced a vacancy loop). The loop formation probability was further reduced by the presence of hydrogen. No difference in the geometry or the size of the loops created in the hydrogen free and hydrogen charged samples was found. These results are difficult to interpret, and the explanation may lie in the distribution and form of the hydrogen. To account for the large hydrogen concentrations and from calculations of the energy associated with hydrogen entry into aluminum, it has been suggested that the hydrogen enters the aluminum lattice with an accompanying vacancy. This will create hydrogen-vacancy complexes in the material; two dimensional complexes have been detected in the hydrogen-charged, but unirradiated, samples by the small-angle x-ray scattering technique. The possibility of these complexes trapping the vacancies produced by the cascade process exists thus lowering the formation probability. However, such a mechanism must occur within the lifetime of the cascade. Alternatively, if a displacement cascade overlaps with the hydrogen-vacancy complexes, the lower atomic density of the region will result in an increase in the cascade volume (decrease in the local vacancy concentration) which will also reduce the loop formation probability.

  7. 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.

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

    DOE PAGES

    Aidhy, Dilpuneet S.; Lu, Chenyang; Jin, Ke; ...

    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.

  9. A positron beam study on vacancy formation in iron by ion beam irradiation at low temperature

    NASA Astrophysics Data System (ADS)

    Iwai, T.; Murakami, K.; Katano, Y.; Iwata, T.; Onitsuka, T.; Abe, H.

    2010-04-01

    This study intends to investigate cascade damage structure produced by energetic ion irradiation. Cascade damage structure is preserved at low temperature below stage I where interstitial atoms begin to migrate. Then positron beam is implanted to the irradiated surface as a vacancy probe to evaluate vacancy concentration remained in the irradiated specimens. By this method, defect production efficiency was evaluated for iron irradiated with proton and carbon ions. The defect production efficiency values indicate enhanced recombination for carbon irradiation due to primary knock-on atoms (PKA) with higher energies.

  10. 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...

  11. 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...

  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. Scattering of phonons by vacancies

    SciTech Connect

    Ratsifaritana, C.A.; Klemens, P.G.

    1987-11-01

    The scattering of phonons by vacancies is estimated by a perturbation technique in terms of the missing mass and the missing linkages. An argument is given why distortion effects can be disregarded. The resonance frequency of the defect is sufficiently high so that resonance effects can be disregarded for phonons in the important frequency range for thermal conduction. The theory is applied to the thermal resistance by vacancies in cases where the vacancy concentration is known: potassium chloride with divalent cations, nonstoichiometric zirconium carbide, and tin telluride.

  14. Threshold collision-induced dissociation of Sr2+(H2O)x complexes (x=1-6): An experimental and theoretical investigation of the complete inner shell hydration energies of Sr2+

    NASA Astrophysics Data System (ADS)

    Carl, D. R.; Chatterjee, B. K.; Armentrout, P. B.

    2010-01-01

    The sequential bond energies of Sr2+(H2O)x complexes, where x =1-6, are determined by threshold collision-induced dissociation using a guided ion beam tandem mass spectrometer equipped with an electrospray ionization source. The electrospray source produces an initial distribution of Sr2+(H2O)x complexes, where x =6-9. Smaller Sr2+(H2O)x complexes, where x =1-5, are accessed using a recently developed in-source fragmentation technique that takes place in the high pressure region of a rf-only hexapole ion guide. This work constitutes the first experimental study for the complete inner shell of any multiply charged ion. The kinetic energy dependent cross sections are determined over a wide energy range to monitor all possible dissociation products and are modeled to obtain 0 and 298 K binding energies for loss of a single water molecule. These binding energies decrease monotonically for the Sr2+(H2O) complex to Sr2+(H2O)6. Our experimental results agree well with previous literature results obtained by equilibrium and kinetic studies for x =5 and 6. Because there has been limited theory for the hydration of Sr2+, we also present an in-depth theoretical study on the energetics of the Sr2+(H2O)x systems by employing several levels of theory with multiple effective core potentials for Sr and different basis sets for the water molecules.

  15. Antioxidant effects of the chestnut (Castanea crenata) inner shell extract in t-BHP-treated HepG2 cells, and CCl4- and high-fat diet-treated mice.

    PubMed

    Noh, Jung-Ran; Gang, Gil-Tae; Kim, Yong-Hoon; Yang, Keum-Jin; Hwang, Jung-Hwan; Lee, Hyun-Sun; Oh, Won-Keun; Song, Kyung-Sik; Lee, Chul-Ho

    2010-11-01

    The antioxidant effects of chestnut inner shell extract (CISE) were investigated in a tert-butylhydroperoxide (t-BHP)-treated HepG2 cells, and in mice that were administered carbon tetrachloride (CCl(4)) and fed a high-fat diet (HFD). Pre-incubation with CISE significantly blocked the oxidative stress induced by t-BHP treatment in HepG2 cells (P<0.05) and preserved the activities of catalase, superoxide dismutase, glutathione peroxidase, and glutathione reductase compared to group treated with t-BHP only. Similarly, the CCl(4)- and HFD-induced reduction of antioxidant enzymes activities in liver was prevented by CISE treatment compared to control groups. Furthermore, hepatic lipid peroxidation were remarkably lower (P<0.05) in the CISE-treated groups with t-BHP or HFD. To determine the active compound of CISE, the fractionation of CISE has been conducted and scoparone and scopoletin were identified as main compounds. These compounds were also shown to inhibit the t-BHP-induced ROS generation and reduction in antioxidant enzyme activity in an in vitro model system. From these results, it was demonstrated that CISE has the ability to protect against damage from oxidative stressors such as t-BHP, CCl(4) and HFD in in vitro and in vivo models. The CISE might be useful for the prevention of oxidative damage in liver cells and tissues.

  16. 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,...

  17. 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,...

  18. 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,...

  19. 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,...

  20. 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,...

  1. 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...

  2. 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...

  3. 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...

  4. 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...

  5. 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...

  6. 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...

  7. 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...

  8. 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...

  9. 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...

  10. 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...

  11. 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...

  12. 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...

  13. 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...

  14. 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.

  15. Vacancy Transport and Interactions on Metal Surfaces

    DTIC Science & Technology

    2014-03-06

    AFRL-OSR-VA-TR-2013-0317 VACANCY TRANSPORT AND INTERACTIONS ON METAL SURFACES Gert Ehrlich UNIVERSITY OF ILLINOIS CHAMPAIGN Final Report 03/06/2014...Prescribed by ANSI Std. Z39.18 Vacancy Transport and Interactions on Metal Surfaces Final Report Grant FA9550-09-1-248 April 15, 2009 – November...30, 2012 Gert Ehrlich, PI Abstract This proposal is a study of vacancy transport and vacancy interaction on metal surfaces. Adatom self

  16. 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..., COUNTY AND COMMUNITY COMMITTEES § 7.13 Vacancies. (a) In case of a vacancy in the office of chairperson... panel of alternates, except as provided in § 7.28 of this part. (d) In the event that a vacancy,...

  17. Vacancy Relaxation in Cubic Crystals

    NASA Technical Reports Server (NTRS)

    Girifalco, L. A.; Weizer, V. G.

    1960-01-01

    The configuration of the atoms surrounding a vacancy in four face-centered cubic and three body-centered cubic metals has been computed, using a pairwise, central-force model in which the energy of interaction between two atoms was taken to have the form of a Morse function. Only radial relaxations were considered. The first and second nearest-neighbor relaxations for the face-centered systems were found to be: Pb (1.42,-0.43), Ni (2.14,-0.39), Cu(2.24,-0.40) and Ca (2.73,-0.41, expressed in percentages of normal distances. For the body-centered systems the relaxations out to the fourth nearest neighbors to the vacancy were: Fe (6.07,-2.12, -0.25, -), Ba (7.85, -2.70, 0.70, -0.33) and Na (10.80, -3.14, 3.43, -0.20). The positive signs indicate relaxation toward the vacancy and the negative signs indicate relaxation away from the vacancy. The energies of relaxation (eV) are: Pb (0.162), Ni (0.626), Cu (0.560), Ca (0.400), Fe (1.410), Ba (0.950) and Na (0.172).

  18. Predicted vacancy cluster structures in MgO and their interaction with helium

    NASA Astrophysics Data System (ADS)

    Busker, G.; van Huis, M. A.; Grimes, R. W.; van Veen, A.

    2000-12-01

    Atomistic simulation calculations were performed to predict defect energies of vacancy clusters and dissociation energies of clusters with helium. The computation technique was based on pair potentials and the Mott-Littleton methodology was used as implemented in the CASCADE code. Both the full charge and the partial charge model were employed. The partial charge model shows better agreement with experimental data reported in the literature. The energetically most favourable spatial configurations for clusters composed of up to eight vacancies were determined and the associated formation energies calculated. The results indicate that the three-dimensional growth of vacancy clusters in MgO is energetically favourable. Next, the activation energies for dissociation of helium atoms from these vacancy clusters were calculated. The activation energy for dissociation of a helium atom from vacancy clusters larger than a monovacancy is approximately 3.6 eV for the partial charge model. Remarkably, the activation energy for dissociation of a helium atom from a monovacancy was found to be higher, 3.9 eV for the partial charge model. This last energy is enhanced by lattice relaxation around the monovacancy. The dissociation energies from large vacancy clusters is in good agreement with the permeation energy of 3.3 ± 0.3 eV obtained experimentally with a permeation experiment in which helium release was monitored with neutron depth profiling (NDP).

  19. 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.

  20. Further characterization of oxygen vacancies and zinc vacancies in electron-irradiated ZnO

    SciTech Connect

    Evans, S. M.; Giles, N. C.; Halliburton, L. E.; Kappers, L. A.

    2008-02-15

    Electron paramagnetic resonance (EPR) has been used to monitor oxygen vacancies and zinc vacancies in a ZnO crystal irradiated near room temperature with 1.5 MeV electrons. Out-of-phase detection at 30 K greatly enhances the EPR signals from these vacancies. Following the electron irradiation, but before illumination, Fe{sup 3+} ions and nonaxial singly ionized zinc vacancies are observed. Illumination with 325 nm laser light at low temperature eliminates the Fe{sup 3+} signal while producing spectra from singly ionized oxygen vacancies, neutral zinc vacancies, and axial singly ionized zinc vacancies. This light also produces EPR spectra from zinc vacancies having a OH{sup -} ion at an adjacent oxygen site. The low-temperature response of the irradiated crystal to illumination wavelengths between 350 and 750 nm is described. Wavelengths shorter than 600 nm convert Fe{sup 3+} ions to Fe{sup 2+} ions and convert neutral oxygen vacancies to singly ionized oxygen vacancies. Neutral zinc vacancies are formed by wavelengths shorter than 500 nm as electrons are removed from isolated singly ionized zinc vacancies. Warming above 120 K in the dark reverses the effect of the illuminations. These wavelength-dependence results suggest that the ground state of the neutral oxygen vacancy is deep, approximately 1.3 eV above the valence band, and that the ground state of the singly ionized zinc vacancy is also deep, about 0.9 eV above the valence band.

  1. 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.

  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. 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.

  4. 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...

  5. 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...

  6. 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...

  7. 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...

  8. 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...

  9. 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...

  10. 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....

  11. 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....

  12. 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....

  13. 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....

  14. 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....

  15. In-situ studies of cascade defect formation at T < 10/sup 0/K

    SciTech Connect

    Haga, K.; Baily, A.C.; King, W.E.; Merkle, K.L.; Meshii, M.

    1983-05-01

    Thin films of Ag and Au were ion-irradiated at temperature (T) < 10/sup 0/K and simultaneously observed using the Argonne National Laboratory high-voltage electron microscope (HVEM) ion-beam interface system. Displacement cascades were produced by Kr/sup +/ ion bombardment in the energy range 20 to 140 keV. For Ag, 20% of the 20-keV cascades and 100% of the 100-keV cascades produced observable contrast. Analysis of the observed dynamical black-white (BW)-contrast indicates that the clusters are of vacancy type. Subcascades were observed in the high-energy irradiations. The present results demonstrate that, during the evolution of displacement cascades in Ag and Au, extensive athermal rearrangement of vacancies occurs which gives rise to clustering and collapse to dislocation loops.

  16. 7 CFR 1150.136 - Vacancies.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... and Orders; Milk), DEPARTMENT OF AGRICULTURE DAIRY PROMOTION PROGRAM Dairy Promotion and Research Order National Dairy Promotion and Research Board § 1150.136 Vacancies. To fill any vacancy occasioned... shall appoint a successor from the most recent list of nominations for the position or from...

  17. 7 CFR 1150.136 - Vacancies.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Marketing Agreements and Orders; Milk), DEPARTMENT OF AGRICULTURE DAIRY PROMOTION PROGRAM Dairy Promotion and Research Order National Dairy Promotion and Research Board § 1150.136 Vacancies. To fill any vacancy...

  18. 7 CFR 1160.205 - Vacancies.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Marketing Agreements and Orders; Milk), DEPARTMENT OF AGRICULTURE FLUID MILK PROMOTION PROGRAM Fluid Milk Promotion Order National Fluid Milk Processor Promotion Board § 1160.205 Vacancies. To fill any vacancy occasioned by...

  19. 22 CFR 506.6 - Publicizing vacancies.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... Employment Offices. (c) Broadcasting Board of Governors Vacancy Announcements. (d) College and University... 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...

  20. 22 CFR 506.6 - Publicizing vacancies.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... Employment Offices. (c) Broadcasting Board of Governors Vacancy Announcements. (d) College and University... 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...

  1. 22 CFR 506.6 - Publicizing vacancies.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... Employment Offices. (c) Broadcasting Board of Governors Vacancy Announcements. (d) College and University... 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...

  2. 22 CFR 506.6 - Publicizing vacancies.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... Employment Offices. (c) Broadcasting Board of Governors Vacancy Announcements. (d) College and University... 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...

  3. 22 CFR 506.6 - Publicizing vacancies.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... Employment Offices. (c) Broadcasting Board of Governors Vacancy Announcements. (d) College and University... 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...

  4. 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...

  5. 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...

  6. 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... Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Marketing...

  7. Effect of collision cascades on dislocations in tungsten: A molecular dynamics study

    NASA Astrophysics Data System (ADS)

    Fu, B. Q.; Fitzgerald, S. P.; Hou, Q.; Wang, J.; Li, M.

    2017-02-01

    Tungsten (W) is the prime candidate material for the divertor and other plasma-facing components in DEMO. The point defects (i.e. vacancies and self-interstitials) produced in collision cascades caused by incident neutrons aggregate into dislocation loops (and voids), which strongly affect the mechanical properties. The point defects also interact with existing microstructural features, and understanding these processes is crucial for modelling the long term microstructural evolution of the material under fusion conditions. In this work, we performed molecular dynamics simulations of cascades interacting with initially straight edge dislocation dipoles. It was found that the residual vacancy number usually exceeds the residual interstitial number for cascades interacting with vacancy type dipoles, but for interstitial type dipoles these are close. We observed that a cascade near a dislocation promotes climb, i.e. it facilitates the movement of point defects along the climb direction. We also observed that the dislocations move easily along the glide direction, and that kinks are formed near the centre of the cascade, which then facilitate the movement of the dipoles. Some dipoles are sheared off by the cascade, and this is dependent on PKA energy, position, direction, and the width of dipole.

  8. 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.

  9. Resonantly excited cascade x-ray emission from La

    SciTech Connect

    Moewes, A.; Wilks, R.G.; Kochur, A.G.; Kurmaev, E.Z.

    2005-08-15

    We are monitoring the intensity of the La 5p-4d emission for La metal while scanning across the deeper lying 3d-4f photoexcitation resonances of the same atom. A strong resonant enhancement in the integral intensity of the La 5p-4d fluorescence emission is observed, which is due to cascading decay of the resonantly excited 3d{sup 9}4f{sup +1} configuration. The corresponding emission spectrum features a complex satellite structure reflecting the multitude of transitions taking place in a variety of multi-vacancy configurations created by the cascade. We calculate the probability of 5p{yields}4d emission produced by the cascading decay and then take into account self-absorption of the emitted photons. This model provides good agreement with the experimental results. The number of 4d vacancies increases immensely due to electronic cascades. We also observe an enhanced integral intensity in the 5p-4d fluorescence compared to our calculations, which we attribute to intra-atomic resonance processes.

  10. 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.

  11. 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)

  12. 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.

  13. 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.

  14. 45 CFR 1176.7 - Publicizing vacancies.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... HUMANITIES NATIONAL ENDOWMENT FOR THE HUMANITIES PART-TIME CAREER EMPLOYMENT § 1176.7 Publicizing vacancies... through various recruiting means, such as: (a) Federal Job Information Centers. (b) State...

  15. 45 CFR 1176.7 - Publicizing vacancies.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... HUMANITIES NATIONAL ENDOWMENT FOR THE HUMANITIES PART-TIME CAREER EMPLOYMENT § 1176.7 Publicizing vacancies... through various recruiting means, such as: (a) Federal Job Information Centers. (b) State...

  16. 45 CFR 1176.7 - Publicizing vacancies.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... HUMANITIES NATIONAL ENDOWMENT FOR THE HUMANITIES PART-TIME CAREER EMPLOYMENT § 1176.7 Publicizing vacancies... through various recruiting means, such as: (a) Federal Job Information Centers. (b) State...

  17. 38 CFR 1.896 - Publicizing vacancies.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... PROVISIONS Part-Time Career Employment Program § 1.896 Publicizing vacancies. When applicants from outside... means, such as: (a) Federal Job Information Centers. (b) State Employment offices. (c) VA...

  18. 38 CFR 1.896 - Publicizing vacancies.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... PROVISIONS Part-Time Career Employment Program § 1.896 Publicizing vacancies. When applicants from outside... means, such as: (a) Federal Job Information Centers. (b) State Employment offices. (c) VA...

  19. 38 CFR 1.896 - Publicizing vacancies.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... PROVISIONS Part-Time Career Employment Program § 1.896 Publicizing vacancies. When applicants from outside... means, such as: (a) Federal Job Information Centers. (b) State Employment offices. (c) VA...

  20. 45 CFR 1176.7 - Publicizing vacancies.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... HUMANITIES NATIONAL ENDOWMENT FOR THE HUMANITIES PART-TIME CAREER EMPLOYMENT § 1176.7 Publicizing vacancies... through various recruiting means, such as: (a) Federal Job Information Centers. (b) State...

  1. Magnetic moments in graphene with vacancies.

    PubMed

    Chen, Jing-Jing; Wu, Han-Chun; Yu, Da-Peng; Liao, Zhi-Min

    2014-08-07

    Vacancies can induce local magnetic moments in graphene, paving the way to make magnetic functional graphene. Due to the interaction between magnetic moments and conduction carriers, the magnetotransport properties of graphene can be modulated. Here, the effects of vacancy induced magnetic moments on the electrical properties of graphene are studied via magnetotransport measurements and spin-polarized density functional theory calculations. We show by quantum Hall measurements that a sharp resonant Vπ state is introduced in the midgap region of graphene with vacancies, resulting in the local magnetic moment. The coupling between the localized Vπ state and the itinerant carrier is tuned by varying the carrier concentration, temperature, magnetic field, and vacancy density, which results in a transition between hopping transport and the Kondo effect and a transition between giant negative magnetoresistance (MR) and positive MR. This modulated magnetotransport is valuable for graphene based spintronic devices.

  2. 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.

  3. Positron trapping at vacancies in electron-irradiated Si at low temperatures

    SciTech Connect

    Maekinen, J.; Corbel, C.; Hautojaervi, P.; Moser, P.; Pierre, F.

    1989-05-15

    Experimental results on positron trapping at vacancies in electron-irradiated silicon are presented. The positron lifetimes 273 +- 3 and 248 +- 2 ps in pure Si and heavily-phosphorus-doped Si ((P) = 10/sup 20/ cm/sup -3/) are assigned to a negative monovacancy V/sup -/ and a negative vacancy-phosphorus pair (V-P)/sup -/, respectively. In pure Si, positron trapping displays a strong negative temperature dependence, and the specific trapping rate reaches very large values (10/sup 17//sup --/10/sup 18/ s/sup -1/) at low temperatures. In Si:P the trapping rate is independent of temperature. These different temperature behaviors are attributed to different positron-trapping mechanisms, a cascade of one-phonon transitions in pure Si, and an Auger process in Si:P.

  4. 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.

  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. 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}.

  7. 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.

  8. 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...

  9. 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...

  10. 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...

  11. 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...

  12. 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...

  13. 7 CFR 1260.146 - Vacancies.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (MARKETING AGREEMENTS 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...

  14. 7 CFR 1210.324 - Vacancies.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 7 Agriculture 10 2011-01-01 2011-01-01 false Vacancies. 1210.324 Section 1210.324 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (MARKETING AGREEMENTS... PLAN Watermelon Research and Promotion Plan National Watermelon Promotion Board § 1210.324...

  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... through various recruiting means, such as: (a) Federal Job Information Centers. (b) State...

  16. 7 CFR 930.27 - Vacancies.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 7 Agriculture 8 2011-01-01 2011-01-01 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...

  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, 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...

  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. 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...

  1. 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...

  2. 7 CFR 945.28 - Vacancies.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 7 Agriculture 8 2011-01-01 2011-01-01 false Vacancies. 945.28 Section 945.28 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Marketing Agreements and Orders; Fruits, Vegetables, Nuts), DEPARTMENT OF AGRICULTURE IRISH POTATOES GROWN IN...

  3. 7 CFR 915.26 - Vacancies.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 7 Agriculture 8 2011-01-01 2011-01-01 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...

  4. 7 CFR 989.34 - Vacancies.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 7 Agriculture 8 2012-01-01 2012-01-01 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...

  5. 7 CFR 989.34 - Vacancies.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 7 Agriculture 8 2011-01-01 2011-01-01 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...

  6. 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...

  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 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...

  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 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...

  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, 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...

  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. 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...

  15. 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...

  16. 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...

  17. 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...

  18. 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...

  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, 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...

  1. 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...

  2. 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...

  3. 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...

  4. 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...

  5. 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...

  6. 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...

  7. 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...

  8. 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...

  9. 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...

  10. 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...

  11. 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...

  12. 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...

  13. 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...

  14. 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...

  15. 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...

  16. 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...

  17. 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...

  18. 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...

  19. 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...

  20. 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...

  1. 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...

  2. 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...

  3. 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...

  4. 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...

  5. 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...

  6. 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...

  7. 7 CFR 946.33 - Vacancies.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 7 Agriculture 8 2010-01-01 2010-01-01 false Vacancies. 946.33 Section 946.33 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Marketing Agreements... event of the death, removal, resignation, or disqualification of any qualified member or alternate,...

  8. 7 CFR 948.58 - Vacancies.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 7 Agriculture 8 2010-01-01 2010-01-01 false Vacancies. 948.58 Section 948.58 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Marketing Agreements... of any person selected as a member or as an alternate to qualify, or in the event of the...

  9. 7 CFR 924.26 - Vacancies.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 7 Agriculture 8 2010-01-01 2010-01-01 false Vacancies. 924.26 Section 924.26 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Marketing Agreements... an alternate member of the committee to qualify, or in the event of the death, removal,...

  10. 7 CFR 945.28 - Vacancies.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 7 Agriculture 8 2010-01-01 2010-01-01 false Vacancies. 945.28 Section 945.28 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Marketing Agreements... member or as an alternate to qualify, or in the event of the death, removal, resignation,...

  11. 7 CFR 916.26 - Vacancies.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 7 Agriculture 8 2010-01-01 2010-01-01 false Vacancies. 916.26 Section 916.26 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Marketing Agreements... any person selected as a member or as an alternate member of the committee to qualify, or in the...

  12. 7 CFR 927.29 - Vacancies.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 7 Agriculture 8 2010-01-01 2010-01-01 false Vacancies. 927.29 Section 927.29 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Marketing Agreements... Committee or the Processed Pear Committee to qualify, or in the event of death, removal, resignation,...

  13. Ab initio study of the formation of vacancy and hydrogen-vacancy complexes in palladium and its hydride

    NASA Astrophysics Data System (ADS)

    Supryadkina, I. A.; Bazhanov, D. I.; Ilyushin, A. S.

    2014-01-01

    We report on the results of ab initio calculations of vacancy and hydrogen-vacancy complexes in palladium and palladium hydride. Comparative analysis of the energies of the formation of defect complexes in palladium and its hydride has revealed that the formation of vacancy clusters is easier in the palladium hydride structure. Investigation of hydrogen-vacancy complexes in bulk crystalline palladium has shown that a hydrogen atom and a vacancy interact to form a stable hydrogen-vacancy (H-Vac) defect complex with a binding energy of E b = -0.21 eV. To investigate the initial stage in the formation of hydrogen-vacancy complexes (H n -Vac m ), we consider the clusterization of defects into clusters containing H-Vac and H2-Vac complexes as a structural unit. It is found that hydrogen-vacancy complexes form 2D defect structures in palladium in the (100)-type planes.

  14. 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

  15. 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.

  16. 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.

  17. Cascades Volcano Observatory

    USGS Publications Warehouse

    Venezky, Dina Y.; Driedger, Carolyn; Pallister, John

    2008-01-01

    Washington's Mount St. Helens volcano reawakens explosively on October 1, 2004, after 18 years of quiescence. Scientists at the U.S. Geological Survey's Cascades Volcano Observatory (CVO) study and observe Mount St. Helens and other volcanoes of the Cascade Range in Washington, Oregon, and northern California that hold potential for future eruptions. CVO is one of five USGS Volcano Hazards Program observatories that monitor U.S. volcanoes for science and public safety. Learn more about Mount St. Helens and CVO at http://vulcan.wr.usgs.gov/.

  18. Triangular rogue wave cascades.

    PubMed

    Kedziora, David J; Ankiewicz, Adrian; Akhmediev, Nail

    2012-11-01

    By numerically applying the recursive Darboux transformation technique, we study high-order rational solutions of the nonlinear Schrödinger equation that appear spatiotemporally as triangular arrays of Peregrine solitons. These can be considered as rogue wave cascades and complement previously discovered circular cluster forms. In this analysis, we reveal a general parametric restriction for their existence and investigate the interplay between cascade and cluster forms. As a result, we demonstrate how to generate many more hybrid rogue wave solutions, including semicircular clusters that resemble claws.

  19. Thermodynamics of impurity-enhanced vacancy formation in metals

    NASA Astrophysics Data System (ADS)

    Bukonte, Laura; Ahlgren, Tommy; Heinola, Kalle

    2017-01-01

    Hydrogen induced vacancy formation in metals and metal alloys has been of great interest during the past couple of decades. The main reason for this phenomenon, often referred to as the superabundant vacancy formation, is the lowering of vacancy formation energy due to the trapping of hydrogen. By means of thermodynamics, we study the equilibrium vacancy formation in fcc metals (Pd, Ni, Co, and Fe) in correlation with the H amounts. The results of this study are compared and found to be in good agreement with experiments. For the accurate description of the total energy of the metal-hydrogen system, we take into account the binding energies of each trapped impurity, the vibrational entropy of defects, and the thermodynamics of divacancy formation. We demonstrate the effect of vacancy formation energy, the hydrogen binding, and the divacancy binding energy on the total equilibrium vacancy concentration. We show that the divacancy fraction gives the major contribution to the total vacancy fraction at high H fractions and cannot be neglected when studying superabundant vacancies. Our results lead to a novel conclusion that at high hydrogen fractions, superabundant vacancy formation takes place regardless of the binding energy between vacancies and hydrogen. We also propose the reason of superabundant vacancy formation mainly in the fcc phase. The equations obtained within this work can be used for any metal-impurity system, if the impurity occupies an interstitial site in the lattice.

  20. Polaronic interactions between oxygen vacancies in rutile Ti O2

    NASA Astrophysics Data System (ADS)

    Zhao, Liang; Magyari-Köpe, Blanka; Nishi, Yoshio

    2017-02-01

    Oxygen vacancy-vacancy interactions in rutile Ti O2 are studied in conjunction with polaron formation trends using density functional theory calculations. It is found that polarons strongly enhance the formation of oxygen vacancies in this material and also mediate the interactions between existing vacancies. At distances below 1 nm, two isolated and charge-neutral vacancies exhibit attractive interactions with an equilibrium distance of about 4 Å. The attractive forces between vacancies partly arise from the polaronic transfer of excess electrons to reduce the potential energy. These discoveries provide microscopic explanations to the vacancy clustering phenomena, as well as a practical approach to stabilize the polarons at arbitrary Ti atoms in Ti O2 .

  1. DISPLACEMENT CASCADE SIMULATION IN TUNGSTEN AT 1025 K

    SciTech Connect

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

    2013-09-30

    Molecular dynamics simulation was employed to investigate the irradiation damage properties of bulk tungsten at 1025 K (0.25 melting temperature). A comprehensive data set of primary cascade damage was generated up to primary knock-on atom (PKA) energies 100 keV. The dependence of the number of surviving Frenkel pairs (NFP) on the PKA energy (E) exhibits three different characteristic domains presumably related to the different cascade morphologies that form. The low-energy regime < 0.2 keV is characterized by a hit-or-miss type of Frenkel pair (FP) production near the displacement threshold energy of 128 eV. The middle regime 0.3 – 30 keV exhibits a sublinear dependence of log(NFP) vs log(E) associated with compact cascade morphology with a slope of 0.73. Above 30 keV, the cascade morphology consists of complex branches or interconnected damage regions. In this extended morphology, large interstitial clusters form from superposition of interstitials from nearby damage regions. Strong clustering above 30 keV results in a superlinear dependence of log(NFP) vs log(E) with a slope of 1.365. At 100 keV, an interstitial cluster of size 92 and a vacancy cluster of size 114 were observed.

  2. 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.

  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. Quantum Cascade Lasers

    DTIC Science & Technology

    2007-11-02

    predicted small linewidth enhancement factor of QC lasers was measured in outside collaboration ( Prof . Shun-Lien Chuang at UIUC) and confirmed to be...Gmachl, Michael C. Wanke, Federico Capasso, Albert L. Hutchinson, Deborah L. Sivco, Sung- Nee G. Chu, and Alfred Y. Cho “Surface plasmon quantum cascade

  6. Hydrogenated vacancies lock dislocations in aluminium

    PubMed Central

    Xie, Degang; Li, Suzhi; Li, Meng; Wang, Zhangjie; Gumbsch, Peter; Sun, Jun; Ma, Evan; Li, Ju; Shan, Zhiwei

    2016-01-01

    Due to its high diffusivity, hydrogen is often considered a weak inhibitor or even a promoter of dislocation movements in metals and alloys. By quantitative mechanical tests in an environmental transmission electron microscope, here we demonstrate that after exposing aluminium to hydrogen, mobile dislocations can lose mobility, with activating stress more than doubled. On degassing, the locked dislocations can be reactivated under cyclic loading to move in a stick-slip manner. However, relocking the dislocations thereafter requires a surprisingly long waiting time of ∼103 s, much longer than that expected from hydrogen interstitial diffusion. Both the observed slow relocking and strong locking strength can be attributed to superabundant hydrogenated vacancies, verified by our atomistic calculations. Vacancies therefore could be a key plastic flow localization agent as well as damage agent in hydrogen environment. PMID:27808099

  7. 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.

  8. Hydrogenated vacancies lock dislocations in aluminium

    NASA Astrophysics Data System (ADS)

    Xie, Degang; Li, Suzhi; Li, Meng; Wang, Zhangjie; Gumbsch, Peter; Sun, Jun; Ma, Evan; Li, Ju; Shan, Zhiwei

    2016-11-01

    Due to its high diffusivity, hydrogen is often considered a weak inhibitor or even a promoter of dislocation movements in metals and alloys. By quantitative mechanical tests in an environmental transmission electron microscope, here we demonstrate that after exposing aluminium to hydrogen, mobile dislocations can lose mobility, with activating stress more than doubled. On degassing, the locked dislocations can be reactivated under cyclic loading to move in a stick-slip manner. However, relocking the dislocations thereafter requires a surprisingly long waiting time of ~103 s, much longer than that expected from hydrogen interstitial diffusion. Both the observed slow relocking and strong locking strength can be attributed to superabundant hydrogenated vacancies, verified by our atomistic calculations. Vacancies therefore could be a key plastic flow localization agent as well as damage agent in hydrogen environment.

  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. 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.

  11. Vacancies at the Cu–Nb semicoherent interface

    NASA Astrophysics Data System (ADS)

    Metsanurk, E.; Tamm, A.; Aabloo, A.; Klintenberg, M.; Caro, A.

    2017-02-01

    We present the 0 K structures and formation energies for vacancy clusters of up to four vacancies and migration barriers for a single vacancy at a semicoherent Kurdjumov–Sachs Cu–Nb interface using ab initio calculations. Two main results emerge from this study, first that the predicted vacancy structure is compact, differing notoriously with predictions based on available empirical potentials, and second that vacancy clusters containing up to four vacancies have a smaller formation energy than monovacancy in bulk. Additionally, the binding energies show that the vacancy clusters are energetically stable for clusters having up to four vacancies. Nudged elastic band calculations of migration barriers show that the migration of a vacancy from one misfit dislocation intersection to another is highly improbable due to the high barriers. These findings suggest that at nonzero temperatures the interface will be preloaded with vacancy clusters with a relatively large capture radius for interstitials in the interface plane, implying that the semicoherent Cu–Nb interface could be a highly effective sink for point defects that form due to irradiation.

  12. 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.

  13. Cascade ICF power reactor

    SciTech Connect

    Hogan, W.J.; Pitts, J.H.

    1986-05-20

    The double-cone-shaped Cascade reaction chamber rotates at 50 rpm to keep a blanket of ceramic granules in place against the wall as they slide from the poles to the exit slots at the equator. The 1 m-thick blanket consists of layers of carbon, beryllium oxide, and lithium aluminate granules about 1 mm in diameter. The x rays and debris are stopped in the carbon granules; the neutrons are multiplied and moderated in the BeO and breed tritium in the LiAlO/sub 2/. The chamber wall is made up of SiO tiles held in compression by a network of composite SiC/Al tendons. Cascade operates at a 5 Hz pulse rate with 300 MJ in each pulse. The temperature in the blanket reaches 1600 K on the inner surface and 1350 K at the outer edge. The granules are automatically thrown into three separate vacuum heat exchangers where they give up their energy to high pressure helium. The helium is used in a Brayton cycle to obtain a thermal-to-electric conversion efficiency of 55%. Studies have been done on neutron activation, debris recovery, vaporization and recondensation of blanket material, tritium control and recovery, fire safety, and cost. These studies indicate that Cascade appears to be a promising ICF reactor candidate from all standpoints. At the 1000 MWe size, electricity could be made for about the same cost as in a future fission reactor.

  14. Strain Relaxation and Vacancy Creation in Thin Platinum Films

    SciTech Connect

    Gruber, W.; Chakravarty, S.; Schmidt, H.; Baehtz, C.; Leitenberger, W.; Bruns, M.; Kobler, A.; Kuebel, C.

    2011-12-23

    Synchrotron based combined in situ x-ray diffractometry and reflectometry is used to investigate the role of vacancies for the relaxation of residual stress in thin metallic Pt films. From the experimentally determined relative changes of the lattice parameter a and of the film thickness L the modification of vacancy concentration and residual strain was derived as a function of annealing time at 130 deg. C. The results indicate that relaxation of strain resulting from compressive stress is accompanied by the creation of vacancies at the free film surface. This proves experimentally the postulated dominant role of vacancies for stress relaxation in thin metal films close to room temperature.

  15. 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.

  16. Stiffness and strength of oxygen-functionalized graphene with vacancies

    SciTech Connect

    Zandiatashbar, A.; Ban, E.; Picu, R. C.

    2014-11-14

    The 2D elastic modulus (E{sup 2D}) and strength (σ{sup 2D}) of defective graphene sheets containing vacancies, epoxide, and hydroxyl functional groups are evaluated at 300 K by atomistic simulations. The fraction of vacancies is controlled in the range 0% to 5%, while the density of functional groups corresponds to O:C ratios in the range 0% to 25%. In-plane modulus and strength diagrams as functions of vacancy and functional group densities are generated using models with a single type of defect and with combinations of two types of defects (vacancies and functional groups). It is observed that in models containing only vacancies, the rate at which strength decreases with increasing the concentration of defects is largest, followed by models containing only epoxide groups and those with only hydroxyl groups. The effect on modulus of vacancies and epoxides present alone in the model is similar, and much stronger than that of hydroxyl groups. When the concentration of defects is large, the combined effect of the functional groups and vacancies cannot be obtained as the superposition of individual effects of the two types of defects. The elastic modulus deteriorates faster (slower) than predicted by superposition in systems containing vacancies and hydroxyl groups (vacancies and epoxide groups)

  17. 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.

  18. 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.

  19. The contribution of collision cascades to sputtering and radiation damage.

    PubMed

    Thompson, M W

    2004-01-15

    Measurement of the velocity distribution of sputtered atoms has tested theories of sputtering and radiation damage. Experiments measuring the time of flight of sputtered atoms in precisely defined directions from the emitting surface, from which the related velocity and energy distributions may be deduced, are described. The energy distribution from polycrystalline targets often fits the form E/(E + Eb)3 derived from a theoretical model in which the bombarding ions initiate collision cascades that eject atoms through the surface. It is assumed that atoms are bound to the surface by a binding force normal to the surface, represented as a binding energy, in the formula. It is shown how this theory relates to that of radiation damage. Departures from the formula seem to correlate with high-energy density in cascades and/or low values of Eb/kT0, with T0 the target temperature. A second component then appears in the energy spectrum approximated by [formula: see text], where deltaT is an effective local temperature rise induced by cascades. The velocity distributions from single crystals are strongly affected by both the direction of ion incidence, indicative of ion channelling, and by emission in directions close to simple crystal axes, indicative of momentum focusing within cascades. Models of the cascade region, and the local heating it causes, have been deduced from sputtering experiments and have advanced our understanding of defect structures caused by radiation damage. Momentum focusing processes are active in creating interstitial-vacancy pairs in both radiation damage and sputtering and their properties have been deduced from these experiments. It is shown how the study of sputtering has enhanced the understanding of radiation damage.

  20. Graphene with vacancies: Supernumerary zero modes

    NASA Astrophysics Data System (ADS)

    Weik, Norman; Schindler, Johannes; Bera, Soumya; Solomon, Gemma C.; Evers, Ferdinand

    2016-08-01

    The density of states ϱ (E ) of graphene is investigated within the tight-binding (Hückel) approximation in the presence of vacancies. They introduce a nonvanishing density of zero modes nzm that act as midgap states, ϱ (E ) =nzmδ (E ) +smooth . As is well known, the actual number of zero modes per sample can, in principle, exceed the sublattice imbalance, Nzm≥|NA-NB| , where NA,NB denote the number of carbon atoms in each sublattice. In this paper, we establish a stronger relation that is valid in the thermodynamic limit and that involves the concentration of zero modes, nzm>|cA-cB| , where cA and cB denote the concentration of vacancies per sublattice; in particular, nzm is nonvanishing even in the case of balanced disorder, NA/NB=1 . Adopting terminology from benzoid graph theory, the excess modes associated with the current carrying backbone (percolation cluster) are called supernumerary. In the simplest cases, such modes can be associated with structural elements such as carbon atoms connected with a single bond, only. Our result suggests that the continuum limit of bipartite hopping models supports nontrivial "supernumerary" terms that escape the present continuum descriptions.

  1. 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

  2. COMPACT CASCADE IMPACTS

    DOEpatents

    Lippmann, M.

    1964-04-01

    A cascade particle impactor capable of collecting particles and distributing them according to size is described. In addition the device is capable of collecting on a pair of slides a series of different samples so that less time is required for the changing of slides. Other features of the device are its compactness and its ruggedness making it useful under field conditions. Essentially the unit consists of a main body with a series of transverse jets discharging on a pair of parallel, spaced glass plates. The plates are capable of being moved incremental in steps to obtain the multiple samples. (AEC)

  3. Crossover behavior in driven cascades.

    PubMed

    Burridge, James

    2013-09-01

    We propose a model which explains how power-law crossover behavior can arise in a system which is capable of experiencing cascading failure. In our model the susceptibility of the system to cascades is described by a single number, the propagation power, which measures the ease with which cascades propagate. Physically, such a number could represent the density of unstable material in a system, its internal connectivity, or the mean susceptibility of its component parts to failure. We assume that the propagation power follows an upward drifting Brownian motion between cascades, and drops discontinuously each time a cascade occurs. Cascades are described by a continuous state branching process with distributional properties determined by the value of the propagation power when they occur. In common with many cascading models, pure power-law behavior is exhibited at a critical level of propagation power, and the mean cascade size diverges. This divergence constrains large systems to the subcritical region. We show that as a result, crossover behavior appears in the cascade distribution when an average is performed over the distribution of propagation power. We are able to analytically determine the exponents before and after the crossover.

  4. 24 CFR 880.611 - Conditions for receipt of vacancy payments.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... PROGRAM, SECTION 202 SUPPORTIVE HOUSING FOR THE ELDERLY PROGRAM AND SECTION 811 SUPPORTIVE HOUSING FOR... administrator of the vacancy or prospective vacancy and the reasons for the vacancy immediately upon learning...

  5. 24 CFR 880.611 - Conditions for receipt of vacancy payments.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... PROGRAM, SECTION 202 SUPPORTIVE HOUSING FOR THE ELDERLY PROGRAM AND SECTION 811 SUPPORTIVE HOUSING FOR... administrator of the vacancy or prospective vacancy and the reasons for the vacancy immediately upon learning...

  6. 24 CFR 880.611 - Conditions for receipt of vacancy payments.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... PROGRAM, SECTION 202 SUPPORTIVE HOUSING FOR THE ELDERLY PROGRAM AND SECTION 811 SUPPORTIVE HOUSING FOR... administrator of the vacancy or prospective vacancy and the reasons for the vacancy immediately upon learning...

  7. 24 CFR 880.611 - Conditions for receipt of vacancy payments.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... PROGRAM, SECTION 202 SUPPORTIVE HOUSING FOR THE ELDERLY PROGRAM AND SECTION 811 SUPPORTIVE HOUSING FOR... administrator of the vacancy or prospective vacancy and the reasons for the vacancy immediately upon learning...

  8. 29 CFR 511.5 - Vacancies and dissolution of committees.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 29 Labor 3 2010-07-01 2010-07-01 false Vacancies and dissolution of committees. 511.5 Section 511.5 Labor Regulations Relating to Labor (Continued) WAGE AND HOUR DIVISION, DEPARTMENT OF LABOR REGULATIONS WAGE ORDER PROCEDURE FOR AMERICAN SAMOA § 511.5 Vacancies and dissolution of committees....

  9. 29 CFR 511.5 - Vacancies and dissolution of committees.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 29 Labor 3 2014-07-01 2014-07-01 false Vacancies and dissolution of committees. 511.5 Section 511.5 Labor Regulations Relating to Labor (Continued) WAGE AND HOUR DIVISION, DEPARTMENT OF LABOR REGULATIONS WAGE ORDER PROCEDURE FOR AMERICAN SAMOA § 511.5 Vacancies and dissolution of committees....

  10. 29 CFR 511.5 - Vacancies and dissolution of committees.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 29 Labor 3 2012-07-01 2012-07-01 false Vacancies and dissolution of committees. 511.5 Section 511.5 Labor Regulations Relating to Labor (Continued) WAGE AND HOUR DIVISION, DEPARTMENT OF LABOR REGULATIONS WAGE ORDER PROCEDURE FOR AMERICAN SAMOA § 511.5 Vacancies and dissolution of committees....

  11. 29 CFR 511.5 - Vacancies and dissolution of committees.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 29 Labor 3 2013-07-01 2013-07-01 false Vacancies and dissolution of committees. 511.5 Section 511.5 Labor Regulations Relating to Labor (Continued) WAGE AND HOUR DIVISION, DEPARTMENT OF LABOR REGULATIONS WAGE ORDER PROCEDURE FOR AMERICAN SAMOA § 511.5 Vacancies and dissolution of committees....

  12. 29 CFR 511.5 - Vacancies and dissolution of committees.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 29 Labor 3 2011-07-01 2011-07-01 false Vacancies and dissolution of committees. 511.5 Section 511.5 Labor Regulations Relating to Labor (Continued) WAGE AND HOUR DIVISION, DEPARTMENT OF LABOR REGULATIONS WAGE ORDER PROCEDURE FOR AMERICAN SAMOA § 511.5 Vacancies and dissolution of committees....

  13. 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.

  14. An Optimal Sample Design for a Job Vacancy Survey.

    ERIC Educational Resources Information Center

    Gonzalez, Maria Elena

    Job vacancy statistics are useful both nationally and locally to manpower policymakers in: (1) measuring labor shortages or surpluses, (2) identifying employment trends in occupations and industries, and (3) matching persons and jobs. The purposes of this study are to analyze the reliability of vacancy estimates and to plan efficient sample…

  15. 29 CFR 452.25 - Vacancies in office.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 29 Labor 2 2010-07-01 2010-07-01 false Vacancies in office. 452.25 Section 452.25 Labor Regulations Relating to Labor OFFICE OF LABOR-MANAGEMENT STANDARDS, DEPARTMENT OF LABOR LABOR-MANAGEMENT... DISCLOSURE ACT OF 1959 Frequency and Kinds of Elections § 452.25 Vacancies in office. Title IV governs...

  16. 75 FR 10818 - Notice of Resource Advisory Council Vacancies

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-03-09

    ... Bureau of Land Management Notice of Resource Advisory Council Vacancies AGENCY: Bureau of Land Management... the Federal Land Policy and Management Act (FLPMA), the Bureau of Land Management (BLM) is seeking... selected to fill the vacancies will complete unexpired terms ending in September 2010 and September...

  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. 5 CFR 330.101 - Methods of filling vacancies.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 5 Administrative Personnel 1 2011-01-01 2011-01-01 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...

  19. Lattice vacancies in silicon film exposed to external electric field

    NASA Astrophysics Data System (ADS)

    Mao, Yuliang; Caliste, Damien; Pochet, Pascal

    2013-07-01

    Density functional calculations based on wavelet basis set are performed to investigate the structure, internal electric-charge distribution, and formation energy of lattice vacancies in silicon film under electric fields. It was found that the formation energies of vacancies both in JT⊥ (Jahn-Teller distortion orthogonal to electric field) and JT‖ (Jahn-Teller distortion parallel to electric field) distortions are decreased with the increasing of field strength, due to the charge polarization in the whole space of silicon film. For the split vacancy, it can lower its energy by moving further away from the split space to form a tetragonal JT⊥ vacancy under electric field. Our results also demonstrate the importance of the potential fluctuations induced by the electric fields on the charge redistribution within the vacancy defects.

  20. Pressure and density of vacancies in solid [sup 4]He

    SciTech Connect

    Bukman, D.J. ); van Leeuwen, J.M.J. )

    1994-01-01

    Crystals of [sup 4]He contain vacancies that move around by a quantum-mechanical hopping process. The density and pressure of these vacancies can be experimentally studied. The accuracy of the experiments is high enough to detect the effect of the Bose statistics of the vacancies. In this paper we examine the effect of the hard-core repulsion between the vacancies, which should also have a measurable effect on their behavior. We set up a virial expansion for a lattice gas of hard-core particles, and calculate the second virial coefficient. It turns out that the vacancies behave as ideal Bose particles at low temperatures, but that the hard-core interaction makes them behave more and more like fermions as the temperature increases.

  1. Vacancy supersaturations produced by high-energy ion implantation

    SciTech Connect

    Venezia, V.C.; Eaglesham, D.J.; Jacobson, D.C.; Gossmann, H.J.; Haynes, T.E.; Agarwal, A. |; Friessnegg, T.; Nielsen, B.

    1998-01-01

    A new technique for detecting the vacancy clusters produced by high-energy ion implantation into silicon is proposed and tested. This technique takes advantage of the fact that metal impurities, such as Au, are gettered near one-half of the projected range ({1/2}R{sub p}) of MeV implants. The vacancy clustered region produced by a 2 MeV Si{sup +} implant into silicon has been labeled with Au diffused in from the front surface. The trapped Au was detected by Rutherford backscattering spectrometry (RBS) to profile the vacancy clusters. Cross section transmission electron microscopy (XTEM) analysis shows that the Au in the region of vacancy clusters is in the form of precipitates. By annealing MeV implanted samples prior to introduction of the Au, changes in the defect concentration within the vacancy clustered region were monitored as a function of annealing conditions.

  2. 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.

  3. 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.

  4. Unsteady turbulence cascades.

    PubMed

    Goto, Susumu; Vassilicos, J C

    2016-11-01

    We have run a total of 311 direct numerical simulations (DNSs) of decaying three-dimensional Navier-Stokes turbulence in a periodic box with values of the Taylor length-based Reynolds number up to about 300 and an energy spectrum with a wide wave-number range of close to -5/3 power-law dependence at the higher Reynolds numbers. On the basis of these runs, we have found a critical time when (i) the rate of change of the square of the integral length scale turns from increasing to decreasing, (ii) the ratio of interscale energy flux to high-pass filtered turbulence dissipation changes from decreasing to very slowly increasing in the inertial range, (iii) the signature of large-scale coherent structures disappears in the energy spectrum, and (iv) the scaling of the turbulence dissipation changes from the one recently discovered in DNSs of forced unsteady turbulence and in wind tunnel experiments of turbulent wakes and grid-generated turbulence to the classical scaling proposed by G. I. Taylor [Proc. R. Soc. London, Ser. A 151, 421 (1935)1364-502110.1098/rspa.1935.0158] and A. N. Kolmogorov [Dokl. Akad. Nauk SSSR 31, 538 (1941)]. Even though the customary theoretical basis for this Taylor-Kolmogorov scaling is a statistically stationary cascade where large-scale energy flux balances dissipation, this is not the case throughout the entire time range of integration in all our DNS runs. The recently discovered dissipation scaling can be reformulated physically as a situation in which the dissipation rates of the small and large scales evolve together. We advance two hypotheses that may form the basis of a theoretical approach to unsteady turbulence cascades in the presence of large-scale coherent structures.

  5. Unsteady turbulence cascades

    NASA Astrophysics Data System (ADS)

    Goto, Susumu; Vassilicos, J. C.

    2016-11-01

    We have run a total of 311 direct numerical simulations (DNSs) of decaying three-dimensional Navier-Stokes turbulence in a periodic box with values of the Taylor length-based Reynolds number up to about 300 and an energy spectrum with a wide wave-number range of close to -5 /3 power-law dependence at the higher Reynolds numbers. On the basis of these runs, we have found a critical time when (i) the rate of change of the square of the integral length scale turns from increasing to decreasing, (ii) the ratio of interscale energy flux to high-pass filtered turbulence dissipation changes from decreasing to very slowly increasing in the inertial range, (iii) the signature of large-scale coherent structures disappears in the energy spectrum, and (iv) the scaling of the turbulence dissipation changes from the one recently discovered in DNSs of forced unsteady turbulence and in wind tunnel experiments of turbulent wakes and grid-generated turbulence to the classical scaling proposed by G. I. Taylor [Proc. R. Soc. London, Ser. A 151, 421 (1935), 10.1098/rspa.1935.0158] and A. N. Kolmogorov [Dokl. Akad. Nauk SSSR 31, 538 (1941)]. Even though the customary theoretical basis for this Taylor-Kolmogorov scaling is a statistically stationary cascade where large-scale energy flux balances dissipation, this is not the case throughout the entire time range of integration in all our DNS runs. The recently discovered dissipation scaling can be reformulated physically as a situation in which the dissipation rates of the small and large scales evolve together. We advance two hypotheses that may form the basis of a theoretical approach to unsteady turbulence cascades in the presence of large-scale coherent structures.

  6. Role of melting temperature on the properties of displacement cascades

    SciTech Connect

    Smalinskas, K.; Robertson, I.M.; Averback, R.S. . Dept. of Materials Science and Engineering); Kirk, M.A. )

    1990-04-01

    The defect structure produced in Cu-Ni alloys by room temperature heavy-ion irradiation have been investigated by TEM. This system exhibits complete solid solubility over the entire composition range and therefore allows the role of melting temperature on the properties of displacement cascades to be assessed. The probability of a dislocation loop forming in the Cu-Ni alloy system is highest in pure Cu and decreases with increasing Ni content. However, the change in formation probability with melting temperature is not a simple one as it is found that loops form more readily in pure nickel than in Cu-90%Ni. It was also found that the size of the dislocation loops varies markedly with alloy content. The higher the nickel content the smaller the loops. These results will be correlated with ion-beam mixing experiments to assess the role of vacancy mobility in the loop formation process. 21 refs., 4 figs., 1 tab.

  7. Vacancy-controlled ultrastable nanoclusters in nanostructured ferritic alloys

    DOE PAGES

    Zhang, Z. W.; Yao, L.; Wang, X. -L.; ...

    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

  8. 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

  9. Suppression of vacancy cluster growth in concentrated solid solution alloys

    SciTech Connect

    Zhao, Shijun; Velisa, Gihan; Xue, Haizhou; Bei, Hongbin; Weber, William J.; Zhang, Yanwen

    2016-12-13

    Large vacancy clusters, such as stacking-fault tetrahedra, are detrimental vacancy-type defects in ion-irradiated structural alloys. Suppression of vacancy cluster formation and growth is highly desirable to improve the irradiation tolerance of these materials. In this paper, we demonstrate that vacancy cluster growth can be inhibited in concentrated solid solution alloys by modifying cluster migration pathways and diffusion kinetics. The alloying effects of Fe and Cr on the migration of vacancy clusters in Ni concentrated alloys are investigated by molecular dynamics simulations and ion irradiation experiment. While the diffusion coefficients of small vacancy clusters in Ni-based binary and ternary solid solution alloys are higher than in pure Ni, they become lower for large clusters. This observation suggests that large clusters can easily migrate and grow to very large sizes in pure Ni. In contrast, cluster growth is suppressed in solid solution alloys owing to the limited mobility of large vacancy clusters. Finally, the differences in cluster sizes and mobilities in Ni and in solid solution alloys are consistent with the results from ion irradiation experiments.

  10. Suppression of vacancy cluster growth in concentrated solid solution alloys

    DOE PAGES

    Zhao, Shijun; Velisa, Gihan; Xue, Haizhou; ...

    2016-12-13

    Large vacancy clusters, such as stacking-fault tetrahedra, are detrimental vacancy-type defects in ion-irradiated structural alloys. Suppression of vacancy cluster formation and growth is highly desirable to improve the irradiation tolerance of these materials. In this paper, we demonstrate that vacancy cluster growth can be inhibited in concentrated solid solution alloys by modifying cluster migration pathways and diffusion kinetics. The alloying effects of Fe and Cr on the migration of vacancy clusters in Ni concentrated alloys are investigated by molecular dynamics simulations and ion irradiation experiment. While the diffusion coefficients of small vacancy clusters in Ni-based binary and ternary solid solutionmore » alloys are higher than in pure Ni, they become lower for large clusters. This observation suggests that large clusters can easily migrate and grow to very large sizes in pure Ni. In contrast, cluster growth is suppressed in solid solution alloys owing to the limited mobility of large vacancy clusters. Finally, the differences in cluster sizes and mobilities in Ni and in solid solution alloys are consistent with the results from ion irradiation experiments.« less

  11. On the localization of positrons in metal vacancies

    NASA Astrophysics Data System (ADS)

    Babich, A. V.; Pogosov, V. V.; Reva, V. I.

    2015-11-01

    The probability of localization of positrons in single vacancies of Al, Cu, and Zn as a function of temperature has been calculated. Vacancy has been simulated by a cavity with a radius of the Wigner-Seitz cell in the stabilized jellium model. A formula for the rate of trapping of a positron by a vacancy as a function of the positron energy has been obtained using the "golden" rule for transitions under the assumption that the positron energy is spent on excitation of electron-hole pairs. The temperature dependence of the localization rate has been calculated for thermalized positrons. It has been found that, in the vicinity of the triple point, the localization rate is close in order of magnitude to the annihilation rate. Based on the results reported in our previous publications devoted to the evaluation of the influence of vacancies on the work function of free positrons, it has been assumed that, near the surface of the metal, there are vacancies charged by positrons. In the approximation of a two-dimensional superlattice, the near-surface vacancy barrier has been estimated. The experimentally revealed shift of the energy distribution of re-emitted positrons has been assumed to be caused by the reflection of low-energy positrons from the vacancy barrier back into the bulk of the metal where they annihilate.

  12. Oxygen vacancy induced surface stabilization: (110) terminated magnetite

    NASA Astrophysics Data System (ADS)

    Walls, B.; Lübben, O.; Palotás, K.; Fleischer, K.; Walshe, K.; Shvets, I. V.

    2016-10-01

    Scanning tunneling microscopy (STM) measurements of the (110) surface of magnetite showed the coexistence of two reconstructions: the known (1 ×3 ) row reconstruction and a surprising atomic structure of high complexity which occupies a small fraction of the surface. Oxygen vacancies on the Fe3O4 (110) B-terminated surface have previously been determined to be the most energetically favorable surface termination of those considered [Li et al., Surf. Sci. 601, 876 (2007), 10.1016/j.susc.2006.10.037]. However, this study only investigated oxygen vacancies which were threefold coordinated. Here, first principles calculations indicate that twofold coordinated oxygen represents the most energetically stable oxygen vacancy on the B-terminated (110) surface of magnetite. STM simulations reveal that the structure that occupies a small fraction of the surface corresponds to this energetically favorable B-terminated Fe3O4 (110) surface. The oxygen vacancies form an ordered array: Along the [1 ¯10 ] direction, every second twofold coordinated oxygen atom is vacant, and vacancies are separated by 6 Å. In adjacent twofold coordinated oxygen rows, the vacancies are shifted in the [1 ¯10 ] direction by 3 Å. Density functional theory calculations of the spin density distributions indicate that surface and subsurface octahedrally coordinated iron atoms are charge ordered. The charge ordering and existence of oxygen vacancies act to reduce the surface charge. However, other polarity compensation mechanisms may be at play to stabilize the surface.

  13. 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.

  14. Persistence of strong and switchable ferroelectricity despite vacancies

    NASA Astrophysics Data System (ADS)

    Raeliarijaona, Aldo; Fu, Huaxiang

    2017-01-01

    Vacancies play a pivotal role in affecting ferroelectric polarization and switching properties, and there is a possibility that ferroelectricity may be utterly eliminated when defects render the system metallic. However, sufficient quantitative understandings of the subject have been lacking for decades due to the fact that vacancies in ferroelectrics are often charged and polarization in charged systems is not translationally invariant. Here we perform first-principles studies to investigate the influence of vacancies on ferroelectric polarization and polarization switching in prototypical BaTiO3 of tetragonal symmetry. We demonstrate using the modern theory of polarization that, in contrast to common wisdom, defective BaTiO3 with a large concentration of vacancies (or , or ) possesses a strong nonzero electric polarization. Breaking of Ti-O bonds is found to have little effect on the magnitude of polarization, which is striking. Furthermore, a previously unrecognized microscopic mechanism, which is particularly important when vacancies are present, is proposed for polarization switching. The mechanism immediately reveals that (i) the switching barrier in the presence of is small with ΔE = 8.3 meV per bulk formula cell, and the polarization is thus switchable even when vacancies exist; (ii) The local environment of vacancy is surprisingly insignificant in polarization switching. These results provide profound new knowledge and will stimulate more theoretical and experimental interest on defect physics in FEs.

  15. Persistence of strong and switchable ferroelectricity despite vacancies

    PubMed Central

    Raeliarijaona, Aldo; Fu, Huaxiang

    2017-01-01

    Vacancies play a pivotal role in affecting ferroelectric polarization and switching properties, and there is a possibility that ferroelectricity may be utterly eliminated when defects render the system metallic. However, sufficient quantitative understandings of the subject have been lacking for decades due to the fact that vacancies in ferroelectrics are often charged and polarization in charged systems is not translationally invariant. Here we perform first-principles studies to investigate the influence of vacancies on ferroelectric polarization and polarization switching in prototypical BaTiO3 of tetragonal symmetry. We demonstrate using the modern theory of polarization that, in contrast to common wisdom, defective BaTiO3 with a large concentration of vacancies (or , or ) possesses a strong nonzero electric polarization. Breaking of Ti-O bonds is found to have little effect on the magnitude of polarization, which is striking. Furthermore, a previously unrecognized microscopic mechanism, which is particularly important when vacancies are present, is proposed for polarization switching. The mechanism immediately reveals that (i) the switching barrier in the presence of is small with ΔE = 8.3 meV per bulk formula cell, and the polarization is thus switchable even when vacancies exist; (ii) The local environment of vacancy is surprisingly insignificant in polarization switching. These results provide profound new knowledge and will stimulate more theoretical and experimental interest on defect physics in FEs. PMID:28120941

  16. DISPLACEMENT CASCADE SIMULATION IN TUNGSTEN UP TO 200 KEV OF DAMAGE ENERGY AT 300, 1025, AND 2050 K

    SciTech Connect

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

    2015-09-22

    We generated molecular dynamics database of primary defects that adequately covers the range of tungsten recoil energy imparted by 14-MeV neutrons. During this semi annual period, cascades at 150 and 200 keV at 300 and 1025 K were simulated. Overall, we included damage energy up to 200 keV at 300 and 1025 K, and up to 100 keV at 2050 K. We report the number of surviving Frenkel pairs (NF) and the size distribution of defect clusters. The slope of the NF curve versus cascade damage energy (EMD), on a log-log scale, changes at a transition energy (μ). For EMD > μ, the cascade forms interconnected damage regions that facilitate the formation of large clusters of defects. At 300 K and EMD = 200 keV, the largest size of interstitial cluster and vacancy cluster is 266 and 335, respectively. Similarly, at 1025 K and EMD = 200 keV, the largest size of interstitial cluster and vacancy cluster is 296 and 338, respectively. At 2050 K, large interstitial clusters also routinely form, but practically no large vacancy clusters do

  17. Error bounds in cascading regressions

    USGS Publications Warehouse

    Karlinger, M.R.; Troutman, B.M.

    1985-01-01

    Cascading regressions is a technique for predicting a value of a dependent variable when no paired measurements exist to perform a standard regression analysis. Biases in coefficients of a cascaded-regression line as well as error variance of points about the line are functions of the correlation coefficient between dependent and independent variables. Although this correlation cannot be computed because of the lack of paired data, bounds can be placed on errors through the required properties of the correlation coefficient. The potential meansquared error of a cascaded-regression prediction can be large, as illustrated through an example using geomorphologic data. ?? 1985 Plenum Publishing Corporation.

  18. Terahertz quantum cascade lasers

    NASA Astrophysics Data System (ADS)

    Koehler, Ruedeger; Tredicucci, Alessandro; Beltram, Fabio; Beere, Harvey E.; Linfield, Edmund H.; Davies, A. G.; Ritchie, David A.

    2003-07-01

    The terahertz region (1-10 THz) of the electromagnetic spectrum offers ample opportunities in spectroscopy, free space communications, remote sensing and medical imaging. Yet, the use of THz radiation in all these fields has been hampered by the lack of appropriate, convenient sources. We here report on unipolar semiconductor injection lasers that emit at THz frequencies (4.3 THz, λ ~ 69μm and 3.5 THz, λ ~ 85μm) and possess the potential for device-like implementation. They are based on the quantum cascade scheme employing interminiband transitions in the technologically mature AlGaAs/GaAs material system and feature a novel kind of waveguide loosely relying on the surface plasmon concpt. Continuous-wave laser emission is achieved with low thresholds of a few hundred A/cm2 up to 45 K heat sink temperature and maximum output powers of more than 4mW. Under pulsed excitation, peak output powers of 4.5mW at low temperatures and still 1 mW at 65 K are measured. The amximum operating temperature is 67 K.

  19. Trophic cascades across ecosystems.

    PubMed

    Knight, Tiffany M; McCoy, Michael W; Chase, Jonathan M; McCoy, Krista A; Holt, Robert D

    2005-10-06

    Predation can be intense, creating strong direct and indirect effects throughout food webs. In addition, ecologists increasingly recognize that fluxes of organisms across ecosystem boundaries can have major consequences for community dynamics. Species with complex life histories often shift habitats during their life cycles and provide potent conduits coupling ecosystems. Thus, local interactions that affect predator abundance in one ecosystem (for example a larval habitat) may have reverberating effects in another (for example an adult habitat). Here we show that fish indirectly facilitate terrestrial plant reproduction through cascading trophic interactions across ecosystem boundaries. Fish reduce larval dragonfly abundances in ponds, leading to fewer adult dragonflies nearby. Adult dragonflies consume insect pollinators and alter their foraging behaviour. As a result, plants near ponds with fish receive more pollinator visits and are less pollen limited than plants near fish-free ponds. Our results confirm that strong species interactions can reverberate across ecosystems, and emphasize the importance of landscape-level processes in driving local species interactions.

  20. 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

  1. 24 CFR 891.790 - Conditions for receipt of vacancy payments for assisted units.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... vacancy payments for assisted units. (a) General. Vacancy payments under the PAC will not be made unless... leased as of the effective date of the PAC, the Borrower is entitled to vacancy payments in the amount of... violating the lease, the PAC, or any applicable law; (2) Notified HUD of the vacancy or prospective...

  2. 24 CFR 891.790 - Conditions for receipt of vacancy payments for assisted units.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... vacancy payments for assisted units. (a) General. Vacancy payments under the PAC will not be made unless... leased as of the effective date of the PAC, the Borrower is entitled to vacancy payments in the amount of... violating the lease, the PAC, or any applicable law; (2) Notified HUD of the vacancy or prospective...

  3. 24 CFR 891.790 - Conditions for receipt of vacancy payments for assisted units.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... vacancy payments for assisted units. (a) General. Vacancy payments under the PAC will not be made unless... leased as of the effective date of the PAC, the Borrower is entitled to vacancy payments in the amount of... violating the lease, the PAC, or any applicable law; (2) Notified HUD of the vacancy or prospective...

  4. 24 CFR 891.790 - Conditions for receipt of vacancy payments for assisted units.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... vacancy payments for assisted units. (a) General. Vacancy payments under the PAC will not be made unless... leased as of the effective date of the PAC, the Borrower is entitled to vacancy payments in the amount of... violating the lease, the PAC, or any applicable law; (2) Notified HUD of the vacancy or prospective...

  5. 24 CFR 891.790 - Conditions for receipt of vacancy payments for assisted units.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... vacancy payments for assisted units. (a) General. Vacancy payments under the PAC will not be made unless... leased as of the effective date of the PAC, the Borrower is entitled to vacancy payments in the amount of... violating the lease, the PAC, or any applicable law; (2) Notified HUD of the vacancy or prospective...

  6. 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.

  7. The effects of vacancy and oxidation on black phosphorus nanoresonators

    NASA Astrophysics Data System (ADS)

    Wang, Cui-Xia; Zhang, Chao; Jiang, Jin-Wu; Rabczuk, T.

    2017-03-01

    Black phosphorene (BP) is not stable at ambient conditions, so atomic defects and oxidation effects are unavoidable in BP samples in the experiment. The effects of these defects on the performance of the BP nanoresonators are still unclear. Here, we perform classical molecular dynamics to investigate the effects of the vacancy and oxidation on single-layer BP nanoresonators at different temperatures. We find that the vacancy causes a strong reduction in the quality factor of the nanoresonators, while the oxidation has a weaker effect on the nanoresonators. More specifically, a 2% concentration of randomly distributed single vacancies is able to reduce the quality factor by about 80% and 40% at 4.2 K and 50 K, respectively. We also find that the quality factor of the nanoresonators is not sensitive to the distribution pattern of the vacancy defects.

  8. The effects of vacancy and oxidation on black phosphorus nanoresonators.

    PubMed

    Wang, Cui-Xia; Zhang, Chao; Jiang, Jin-Wu; Rabczuk, T

    2017-03-01

    Black phosphorene (BP) is not stable at ambient conditions, so atomic defects and oxidation effects are unavoidable in BP samples in the experiment. The effects of these defects on the performance of the BP nanoresonators are still unclear. Here, we perform classical molecular dynamics to investigate the effects of the vacancy and oxidation on single-layer BP nanoresonators at different temperatures. We find that the vacancy causes a strong reduction in the quality factor of the nanoresonators, while the oxidation has a weaker effect on the nanoresonators. More specifically, a 2% concentration of randomly distributed single vacancies is able to reduce the quality factor by about 80% and 40% at 4.2 K and 50 K, respectively. We also find that the quality factor of the nanoresonators is not sensitive to the distribution pattern of the vacancy defects.

  9. 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...

  10. 24 CFR 882.411 - Payments for vacancies.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 202 SUPPORTIVE HOUSING FOR THE ELDERLY PROGRAM AND SECTION 811 SUPPORTIVE HOUSING FOR PERSONS WITH...) of this section unless the Owner: (i) Immediately upon learning of the vacancy, has notified the...

  11. 24 CFR 882.411 - Payments for vacancies.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 202 SUPPORTIVE HOUSING FOR THE ELDERLY PROGRAM AND SECTION 811 SUPPORTIVE HOUSING FOR PERSONS WITH...) of this section unless the Owner: (i) Immediately upon learning of the vacancy, has notified the...

  12. 24 CFR 882.411 - Payments for vacancies.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 202 SUPPORTIVE HOUSING FOR THE ELDERLY PROGRAM AND SECTION 811 SUPPORTIVE HOUSING FOR PERSONS WITH...) of this section unless the Owner: (i) Immediately upon learning of the vacancy, has notified the...

  13. 24 CFR 882.411 - Payments for vacancies.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 202 SUPPORTIVE HOUSING FOR THE ELDERLY PROGRAM AND SECTION 811 SUPPORTIVE HOUSING FOR PERSONS WITH...) of this section unless the Owner: (i) Immediately upon learning of the vacancy, has notified the...

  14. 24 CFR 882.411 - Payments for vacancies.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 202 SUPPORTIVE HOUSING FOR THE ELDERLY PROGRAM AND SECTION 811 SUPPORTIVE HOUSING FOR PERSONS WITH...) of this section unless the Owner: (i) Immediately upon learning of the vacancy, has notified the...

  15. An observable for vacancy characterization and diffusion in crystals

    NASA Astrophysics Data System (ADS)

    Geslin, Pierre-Antoine; Ciccotti, Giovanni; Meloni, Simone

    2013-04-01

    To locate the position and characterize the dynamics of a vacancy in a crystal, we propose to represent it as the ground state density of a pseudo-quantum probe particle associated to the Hamiltonian which has, for the potential energy, the field generated by the atoms in the sample. In this description, the coefficient of the kinetic energy term is a tunable parameter controlling the density localization in the regions of the relevant minima of the potential energy field. Based on this description, we derive a set of collective variables that we use in rare event simulations to identify some of the vacancy diffusion paths in a 2D crystal. Our simulations reveal that the vacancy migrates according to local and non-local mechanisms, the second involving several lattice sites and producing a long range migration. We also observed a vacancy induced crystal reorientation process.

  16. 76 FR 33773 - Navigation Safety Advisory Council; Vacancies

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-06-09

    ... SECURITY Coast Guard Navigation Safety Advisory Council; Vacancies AGENCY: Coast Guard, DHS. ACTION: Request for applications. SUMMARY: The Coast Guard seeks applications for membership on the Navigation... the Road, navigation regulations and equipment, routing measures, marine information, diving...

  17. 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...

  18. Enzymatically Controlled Vacancies in Nanoparticle Crystals

    SciTech Connect

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

    2016-08-01

    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.

  19. 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.

  20. Ultrarelativistic cascades and strangeness production

    SciTech Connect

    Kahana, D.E.; Kahana, S.H.

    1998-02-01

    A two phase cascade, LUCIFER II, developed for the treatment of ultra high energy Ion-Ion collisions is applied to the production of strangeness at SPS energies. This simulation is able to simultaneously describe both hard processes such as Drell-Yan and slower, soft processes such as the production of light mesons by separating the dynamics into two steps, a fast cascade involving only the nucleons in the original colliding relativistic ions followed, after an appropriate delay, by a normal multiscattering of the resulting excited baryons and mesons produced virtually in the first step. No energy loss can take place in the short time interval over which the first cascade takes place. The chief result is a reconciliation of the important Drell-Yan measurements with the apparent success of standard cascades to describe the nucleon stopping and meson production in heavy ion experiments at the CERN SPS.

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. Aeroelasticity in Turbomachine-Cascades.

    DTIC Science & Technology

    1982-11-10

    STABLE -180 UNSTABLE -360 ’ - ’ - -180 0. 󈧖O DIAGRAM 3 AERODYNAMIC LIFT (OENT)COEFFICIENTI AND PHASE LEADS IN DEPENDANCE OF FLOM GUANTATIES AND CASCADE...ABL -0.8 0.0 -5 0. -5 DIAGRAM ’. AERODYNAMIC NORK AND DAMPING COEFFICIENTS (FOR A RIGID NOTION) IN DEPENDANCE OF FLOW OURNTATIES AND CASCADE GEOMETRY...coefficients on blades + blade vibration + vizualization in the transonic flow domain (Schlieren) + instability dependance on flow conditions, blade

  7. 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.

  8. Hydrogen-vacancy-dislocation interactions in α-Fe

    NASA Astrophysics Data System (ADS)

    Tehranchi, A.; Zhang, X.; Lu, G.; Curtin, W. A.

    2017-02-01

    Atomistic simulations of the interactions between dislocations, hydrogen atoms, and vacancies are studied to assess the viability of a recently proposed mechanism for the formation of nanoscale voids in Fe-based steels in the presence of hydrogen. Quantum-mechanics/molecular-mechanics method calculations confirm molecular statics simulations based on embedded atom method (EAM) potential showing that individual vacancies on the compressive side of an edge dislocation can be transported with the dislocation as it glides. Molecular dynamics simulations based on EAM potential then show, however, that vacancy clusters in the glide plane of an approaching dislocation are annihilated or reduced in size by the creation of a double-jog/climb process that is driven by the huge reduction in energy accompanying vacancy annihilation. The effectiveness of annihilation/reduction processes is not reduced by the presence of hydrogen in the vacancy clusters because typical V-H cluster binding energies are much lower than the vacancy formation energy, except at very high hydrogen content in the cluster. Analysis of a range of configurations indicates that hydrogen plays no special role in stabilizing nanovoids against jog formation processes that shrink voids. Experimental observations of nanovoids on the fracture surfaces of steels must be due to as-yet undetermined processes.

  9. 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.

  10. Quantum transport in graphene Hall bars: Effects of vacancy disorder

    NASA Astrophysics Data System (ADS)

    Petrović, M. D.; Peeters, F. M.

    2016-12-01

    Using the tight-binding model, we investigate the influence of vacancy disorder on electrical transport in graphene Hall bars in the presence of quantizing magnetic fields. Disorder, induced by a random distribution of monovacancies, breaks the graphene sublattice symmetry and creates states localized on the vacancies. These states are observable in the bend resistance, as well as in the total DOS. Their energy is proportional to the square root of the magnetic field, while their localization length is proportional to the cyclotron radius. At the energies of these localized states, the electron current flows around the monovacancies and, as we show, it can follow unexpected paths depending on the particular arrangement of vacancies. We study how these localized states change with the vacancy concentration, and what are the effects of including the next-nearest-neighbor hopping term. Our results are also compared with the situation when double vacancies are present in the system. Double vacancies also induce localized states, but their energy and magnetic field dependencies are different. Their localization energy scales linearly with the magnetic field, and their localization length appears not to depend on the field strength.

  11. 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.

  12. Slow relaxation of cascade-induced defects in Fe

    DOE PAGES

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

    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

  13. 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.

  14. 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.

  15. Effect of mass of the primary knock-on atom on displacement cascade debris in alpha-iron

    SciTech Connect

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

    2008-01-01

    Results are presented from molecular dynamics (MD) simulations of displacement cascades created in -iron (Fe) by primary knock-on atoms (PKAs) with energy from 5 to 20 keV and mass chosen to represent C, Fe and Bi. Molecular Bi2 has also been simulated using two Bi PKAs, and PKA-Fe interaction potential has also been varied. Four effects are reported. First, the PKA mass has a major effect on cascade damage while the interaction potential has little if any. Second, the total number of point defects produced in a cascade decreases with increasing PKA mass. This fact is not accounted for in models used conventionally for estimating damage. Third, interstitial loops of <111> type and both vacancy and interstitial loops of <100> type are formed, the latter being observed in MD simulation for the first time. The probability of <100> loop appearance increases with increasing PKA mass as well as energy. Finally, there is a correlation between production of large vacancy and interstitial clusters in the same cascade.

  16. Shallow halogen vacancies in halide optoelectronic materials

    DOE PAGES

    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

  17. 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.

  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. 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.

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

    PubMed

    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.

  1. Vacancy relaxation in cuprous oxide (Cu2-xO1-y)

    NASA Astrophysics Data System (ADS)

    Frazer, Laszlo; Chang, Kelvin B.; Schaller, Richard D.; Poeppelmeier, Kenneth R.; Ketterson, John B.

    2017-03-01

    Phonons are produced when an excited vacancy in cuprous oxide (Cu$_2$O) relaxes. Time resolved luminescence was used to find the excited copper vacancy (acceptor) and oxygen vacancy (donor) trap levels and lifetimes. It was also used to determine the typical energy and number of phonons in the phonon pulses emitted by vacancies. The vacancy properties of cuprous oxide are controlled by several synthesis parameters and by the temperature. We directly demonstrate the absorption of light by oxygen vacancies with transient absorption. Copper and oxygen vacancies behave differently, in part because the two kinds of traps capture carriers from different states. For example, the copper vacancy luminescence lifetime is around 25 times greater at low temperature. However, both kinds of vacancy luminescence are consistent with a Poissonian multiple phonon emission model.

  2. 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.

  3. 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.

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

    DOE PAGES

    Aidhy, Dilpuneet S.; Liu, Bin; Zhang, Yanwen; ...

    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

  5. 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.

  6. Vacancy behavior in a compressed fcc Lennard-Jones crystal

    SciTech Connect

    Beeler, J.R. Jr.

    1981-12-01

    This computer experiment study concerns the determination of the stable vacancy configuration in a compressed fcc Lennard-Jones crystal and the migration of this defect in a compressed crystal. Isotropic and uniaxial compression stress conditions were studied. The isotropic and uniaxial compression magnitudes employed were 0.94 less than or equal to eta less than or equal to 1.5, and 1.0 less than or equal to eta less than or equal to 1.5, respectively. The site-centered vacancy (SCV) was the stable vacancy configuration whenever cubic symmetry was present. This includes all of the isotropic compression cases and the particular uniaxial compression case (eta = ..sqrt..2) that give a bcc structure. In addition, the SCV was the stable configuration for uniaxial compression eta < 1.29. The out-of-plane split vacancy (SV-OP) was the stable vacancy configuration for uniaxial compression 1.29 < eta less than or equal to 1.5 and was the saddle-point configuration for SCV migration when the SCV was the stable form. For eta > 1.20, the SV-OP is an extended defect and, therefore, a saddle point for SV-OP migration could not be determined. The mechanism for the transformation from the SCV to the SV-OP as the stable form at eta = 1.29 appears to be an alternating sign (101) and/or (011) shear process.

  7. Role of vacancies and solute atoms on grain boundary sliding

    SciTech Connect

    Vetrano, J.S.; Henager, C.H. Jr.; Simonen, E.P.

    2000-07-01

    It is necessary for grain boundary dislocations to slide and climb during the grain boundary sliding process that dominates fine-grained superplastic deformation. The process of climb requires either an influx of vacancies to the grain boundary plane or a local generation of vacancies. Transmission electron microscopy (TEM) observations of grain boundaries in superplastically deformed Al-Mg-Mn alloys quenched under load from the deformation temperature have revealed the presence of nano-scale cavities resulting from a localized supersaturation of vacancies at the grain boundary. Compositional measurements along interfaces have also shown an effect of solute atoms on the local structure. This is shown to result from a coupling of vacancy and solute atom flows during deformation and quenching. Calculations of the localized vacancy concentration indicate that the supersaturation along the grain boundary can be as much as a factor of ten. The effects of the local supersaturation and solute atom movement on deformation rates and cavity nucleation and growth is discussed.

  8. Role of Vacancies and Solute Atoms on Grain Boundary Sliding

    SciTech Connect

    Vetrano, John S.; Henager, Charles H.; Simonen, Edward P.

    2000-10-30

    It is necessary for grain boundary dislocations to slide and climb during the grain boundary sliding process that dominates fine-grained superplastic deformation. The process of climb requires either an influx of vacancies to the grain boundary plane or a local generation of vacancies. Transmission electron microscopy (TEM) observations of grain boundaries in superplastically deformed Al-Mg-Mn alloys quenched under load from the deformation temperature have revealed the presence of nano-scale cavities resulting from a localized supersaturation of vacancies at the grain boundary. Compositional measurements along interfaces have also shown an effect of solute atoms on the local structure. This is shown to result from a coupling of vacancy and solute atom flows during deformation and quenching. Calculations of the localized vacancy concentration indicate that the supersaturation along the grain boundary can be as much as a factor of five. The effects of the local supersaturation and solute atom movement on deformation rates and cavity nucleation and growth will be discussed.

  9. A computational study of H-Fe vacancy interaction

    NASA Astrophysics Data System (ADS)

    Pistonesi, C.; Garcia, A.; Brizuela, G.; Juan, A.

    1998-03-01

    The semi-empirical atom superposition and electron delocalization molecular orbital (ASED-MO) theory was used to study the H-Fe interaction near a Fe vacancy. Calculations were carried out using clusters of the type 0022-3727/31/5/016/img7 and simulating the absorption of a hydrogen atom near a vacancy located at the centre of the cluster. The formation of H-H pairs was also considered. Our calculations involve a system in which experiments are difficult to perform and could contribute to a better understanding or insight based on microscopic exploration. The results indicate that in general the H-Fe interaction gets stronger when the H atom is close to the vacancy but not at its centre due to a strong indirect interaction mediated by the Fe matrix. Minima regions are obtained at eccentric positions. A H-H pair is suggested to be formed near the vacancy region. The relaxation of the first neighbour Fe atoms towards the vacancy is also addressed in the presence and absence of H. For all situations studied, the most stable configuration corresponds to a cluster contraction.

  10. Cascade Reservoirs Floodwater Resources Utilization

    NASA Astrophysics Data System (ADS)

    Wang, Y.

    2015-12-01

    A reasonable floodwater resources utilization method is put forward by dynamic controlling of cascade reservoirs flood control limited level in this paper. According to the probability distribution of the beginning time of the first flood and the ending time of the final flood from July to September, the Fuzzy Statistic Analysis was used to divide the main flood season. By fitting the flood season membership functions of each period, the cascade reservoirs flood control limited water level for each period were computed according to the characteristic data of reservoirs. In terms of the benefit maximization and risk minimum principle, the reasonable combination of flood control limited water level of cascade reservoirs was put forward.

  11. 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.

  12. 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.

  13. Cascading dynamics in modular networks

    NASA Astrophysics Data System (ADS)

    Galstyan, Aram; Cohen, Paul

    2007-03-01

    In this paper we study a simple cascading process in a structured heterogeneous population, namely, a network composed of two loosely coupled communities. We demonstrate that under certain conditions the cascading dynamics in such a network has a two-tiered structure that characterizes activity spreading at different rates in the communities. We study the dynamics of the model using both simulations and an analytical approach based on annealed approximation and obtain good agreement between the two. Our results suggest that network modularity might have implications in various applications, such as epidemiology and viral marketing.

  14. 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

  15. 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

    2016-07-05

    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.

  16. Molecular-dynamic investigation of the interaction of vacancies with symmetrical tilt grain boundaries in aluminum

    NASA Astrophysics Data System (ADS)

    Weckman, A. V.; Demyanov, B. F.; Dragunov, A. S.

    2015-06-01

    The molecular-dynamic method has been used to study the interaction of lattice vacancies with symmetrical grain boundaries (GBs) in aluminum. The fraction of trapped vacancies has been found to depend linearly on the distance to the GB plane. The average velocity of the vacancy migration toward the boundary decreases exponentially with an increase in the distance between the GB plane and vacancy. The radius of the region of trapping of a vacancy by the boundary is limited to two to three lattice parameters and grows with an increase in temperature. Four types of boundaries, which are characterized by different capability for the trapping of vacancies, have been determined.

  17. 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.

  18. 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.

  19. 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.

  20. 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.

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

    DOE PAGES

    Jang, H.; Kerr, G.; Lim, 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

  2. Exact Model of Vacancy-Mediated Solute Transport in Magnesium

    NASA Astrophysics Data System (ADS)

    Agarwal, Ravi; Trinkle, Dallas R.

    2017-03-01

    Most substitutional solutes in solids diffuse via vacancies. However, widely used analytic models for diffusivity make uncontrolled approximations in the relations between atomic jump rates that reduce accuracy. Symmetry analysis of the hexagonal close packed crystal identifies more distinct vacancy transitions than prior models, and a Green function approach computes diffusivity exactly for solutes in magnesium. We find large differences for the solute drag of Al, Zn, and rare earth solutes, and improved diffusion activation energies—highlighting the need for exact analytic transport models.

  3. Jamming probabilities for a vacancy in the dimer model.

    PubMed

    Poghosyan, V S; Priezzhev, V B; Ruelle, P

    2008-04-01

    Following the recent proposal made by [J. Bouttier, Phys. Rev. E 76, 041140 (2007)], we study analytically the mobility properties of a single vacancy in the close-packed dimer model on the square lattice. Using the spanning web representation, we find determinantal expressions for various observable quantities. In the limiting case of large lattices, they can be reduced to the calculation of Toeplitz determinants and minors thereof. The probability for the vacancy to be strictly jammed and other diffusion characteristics are computed exactly.

  4. Vacancy-mediated diffusion in biaxially strained Si

    NASA Astrophysics Data System (ADS)

    Caliste, Damien; Rushchanskii, Konstantin Z.; Pochet, Pascal

    2011-01-01

    We present an analysis of stress-enhanced vacancy-mediated diffusion in biaxially deformed Si (100) films as measured by the strain derivative (Q') of the activation energy. The strain dependence of Q' is demonstrated by means of a reanalysis of previously published experimental data, which both take into account the temperature dependence of and highlight the differences between tensile and compressive stress. Based on ab initio calculations, we predict that Q' in pure silicon is higher under compressive conditions due to a broken degeneracy of the split-vacancy configuration.

  5. 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.

  6. Influence of oxygen vacancies on the dielectric properties of hafnia: First-principles calculations

    NASA Astrophysics Data System (ADS)

    Cockayne, Eric

    2007-03-01

    First-principles calculations were used to study the effects of neutral and 2+ charged oxygen vacancies on the dielectric properties of crystalline HfO2 . In agreement with previous results, the neutral vacancy is more stable on four fold-coordinated site, while the charged vacancy is more stable on a three fold-coordinated site. For both vacancy positions, HfO2 remains insulating whether the vacancy is neutral or in the 2+ charge state. The dynamical matrix, Born effective charges, and electronic dielectric tensor were calculated for each structure. With one oxygen vacancy per 64 oxygen atoms, the static dielectric constant κs is increased by 1%-2% for neutral vacancies and suppressed by 1%-3% for 2+ charged vacancies, with the larger changes for three fold-coordinated vacancies. The exact result in the case of a charged vacancy depends on how the neutralizing charge necessary for macroscopic charge neutrality is modeled. The increase in κs for neutral oxygen vacancies arises from an enhancement of the electronic dielectric response due to a pair of electrons occupying an easily polarizable F -center defect state. The suppression in κs for charged oxygen vacancies is due to phonon hardening, which reduces the ionic response. No evidence is found for characteristic localized phonons induced by oxygen vacancies that could be detected by infrared or Raman spectroscopy.

  7. Unsteady transonic flow in cascades

    NASA Technical Reports Server (NTRS)

    Surampudi, S. P.; Adamczyk, J. J.

    1984-01-01

    There is a need for methods to predict the unsteady air loads associated with flutter of turbomachinery blading at transonic speeds. The results of such an analysis in which the steady relative flow approaching a cascade of thin airfoils is assumed to be transonic, irrotational, and isentropic is presented. The blades in the cascade are allowed to undergo a small amplitude harmonic oscillation which generates a small unsteady flow superimposed on the existing steady flow. The blades are assumed to oscillate with a prescribed motion of constant amplitude and interblade phase angle. The equations of motion are obtained by linearizing about a uniform flow the inviscid nonheat conducting continuity and momentum equations. The resulting equations are solved by employing the Weiner Hopf technique. The solution yields the unsteady aerodynamic forces acting on the cascade at Mach number equal to 1. Making use of an unsteady transonic similarity law, these results are compared with the results obtained from linear unsteady subsonic and supersonic cascade theories. A parametric study is conducted to find the effects of reduced frequency, solidity, stagger angle, and position of pitching axis on the flutter.

  8. Engineering Light: Quantum Cascade Lasers

    ScienceCinema

    Claire Gmachl

    2016-07-12

    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.

  9. 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.

  10. CASCADE: Introducing AI into CBT.

    ERIC Educational Resources Information Center

    Hendley, R. J.; Jurascheck, N.

    1992-01-01

    Discusses changes in training requirements of commerce and industry in the United Kingdom and describes a project, CASCADE, that was developed to investigate and implement the introduction of artificial intelligence (AI) techniques into computer-based training (CBT). An overview of pilot projects in higher education settings is provided. (eight…

  11. Activation Cascading in Sign Production

    ERIC Educational Resources Information Center

    Navarrete, Eduardo; Peressotti, Francesca; Lerose, Luigi; Miozzo, Michele

    2017-01-01

    In this study, we investigated how activation unfolds in sign production by examining whether signs that are not produced have their representations activated by semantics (cascading of activation). Deaf signers were tested with a picture-picture interference task. Participants were presented with pairs of overlapping pictures and named the green…

  12. Dynamics robustness of cascading systems.

    PubMed

    Young, Jonathan T; Hatakeyama, Tetsuhiro S; Kaneko, Kunihiko

    2017-03-01

    A most important property of biochemical systems is robustness. Static robustness, e.g., homeostasis, is the insensitivity of a state against perturbations, whereas dynamics robustness, e.g., homeorhesis, is the insensitivity of a dynamic process. In contrast to the extensively studied static robustness, dynamics robustness, i.e., how a system creates an invariant temporal profile against perturbations, is little explored despite transient dynamics being crucial for cellular fates and are reported to be robust experimentally. For example, the duration of a stimulus elicits different phenotypic responses, and signaling networks process and encode temporal information. Hence, robustness in time courses will be necessary for functional biochemical networks. Based on dynamical systems theory, we uncovered a general mechanism to achieve dynamics robustness. Using a three-stage linear signaling cascade as an example, we found that the temporal profiles and response duration post-stimulus is robust to perturbations against certain parameters. Then analyzing the linearized model, we elucidated the criteria of when signaling cascades will display dynamics robustness. We found that changes in the upstream modules are masked in the cascade, and that the response duration is mainly controlled by the rate-limiting module and organization of the cascade's kinetics. Specifically, we found two necessary conditions for dynamics robustness in signaling cascades: 1) Constraint on the rate-limiting process: The phosphatase activity in the perturbed module is not the slowest. 2) Constraints on the initial conditions: The kinase activity needs to be fast enough such that each module is saturated even with fast phosphatase activity and upstream changes are attenuated. We discussed the relevance of such robustness to several biological examples and the validity of the above conditions therein. Given the applicability of dynamics robustness to a variety of systems, it will provide a

  13. 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...

  14. 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...

  15. 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...

  16. 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...

  17. 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...

  18. Vacancy clustering and its dissociation process in electroless deposited copper films studied by monoenergetic positron beams

    NASA Astrophysics Data System (ADS)

    Uedono, A.; Yamashita, Y.; Tsutsui, T.; Dordi, Y.; Li, S.; Oshima, N.; Suzuki, R.

    2012-05-01

    Positron annihilation was used to probe vacancy-type defects in electroless deposited copper films. For as-deposited films, two different types of vacancy-type defects were found to coexist; these were identified as vacancy aggregates (V3-V4) and larger vacancy clusters (˜V10). After annealing at about 200 °C, the defects started to diffuse toward the surface and aggregate. The same tendency has been observed for sulfur only, suggesting the formation of complexes between sulfur and vacancies. The defect concentration near the Cu/barrier-metal interface was high even after annealing above 600 °C, and this was attributed to an accumulation of vacancy-impurity complexes. The observed defect reactions were attributed to suppression of the vacancy diffusion to sinks through the formation of impurity-vacancy complexes. It was shown that electroless plating has a high potential to suppress the formation of voids/hillocks caused by defect migration.

  19. Cascaded Bragg scattering in fiber optics.

    PubMed

    Xu, Y Q; Erkintalo, M; Genty, G; Murdoch, S G

    2013-01-15

    We report on a theoretical and experimental study of cascaded Bragg scattering in fiber optics. We show that the usual energy-momentum conservation of Bragg scattering can be considerably relaxed via cascade-induced phase-matching. Experimentally we demonstrate frequency translation over six- and 11-fold cascades, in excellent agreement with derived phase-matching conditions.

  20. Identification of electron and hole traps in lithium tetraborate (Li{sub 2}B{sub 4}O{sub 7}) crystals: Oxygen vacancies and lithium vacancies

    SciTech Connect

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

    2010-06-15

    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 (Li{sub 2}B{sub 4}O{sub 7}) crystals. Our study includes a crystal with the natural abundances of {sup 10}B and {sup 11}B and a crystal highly enriched with {sup 10}B. 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 {sup 10}B and {sup 11}B 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.

  1. 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.

  2. Atomic vacancy-induced friction on the graphite surface: observation by lateral force microscopy.

    PubMed

    Paredes, J I; Martínez-Alonso, A; Tascón, J M D

    2003-05-01

    Lateral force microscopy has been employed to investigate the frictional behaviour of atomic vacancies on the graphite surface. Such a study was only made possible by the controlled expansion of originally single-atom vacancies into multiatom vacancies, employing oxygen plasma etching for this purpose. Enhanced friction was observed on the vacancy regions compared with pristine areas of graphite, the origin of which is examined and discussed.

  3. 77 FR 31631 - Towing Safety Advisory Committee; Vacancies

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-05-29

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

  4. 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,...

  5. Vacancy diffusion in magnetite-hercynite solid solution

    NASA Astrophysics Data System (ADS)

    Yamauchi, Shigeru; Nakamura, Akio; Shimizu, Toshiaki; Fueki, Kazuo

    1983-11-01

    To extend the chemical relaxation technique to ternary oxide systems, theoretical analysis was made to obtain an expression for the chemical diffusion coefficient in terms of the vacancy diffusion coefficient. An equation, D˜ = [ {C O}/{(C 1 + C 2) }] D v( {1}/{2})( {∂ ln P( O2) }/{∂ ln C v}) , was derived. This is similar to the one for the binary oxide system. Chemical relaxation experiments were made on the magnetite-hercynite solid solutions, (Fe 1- yAl y) 3-δO 4 with y = 0.0, 0.067, 0.133, and 0.20, at temperatures between 1300 and 1400°C. The vacancy diffusion coefficient decreased remarkably with an increase in y. The activation energy was found to be 20.8 ± 3.7, 33.5 ± 4.2, 50.4 ± 3.6, and 66.3 ± 4.5 kcal/mole for y = 0.0, 0.067, 0.133, and 0.20, respectively. A strong dependence on y was also found. The dependence of the vacancy diffusion coefficient on y was interpreted to indicate that the jump frequency of cation vacancies is decreased by the introduction of aluminium ion.

  6. 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:...

  7. 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...

  8. 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,...

  9. Interaction mechanism of biomolecules on vacancy defected 2D materials

    NASA Astrophysics Data System (ADS)

    Gürel, Hikmet Hakan; Salmankurt, Bahadır

    2017-02-01

    In this work, we present a first principles study of the adsorption of Adenine which is a nucleobases, Histide and Leucine molecules, which are the amino acids, on vacancy defected single layer materials such as graphene and phosphorene. Among these materials, graphene, which is a single layer honeycomb structure of carbon. Also, phosphorene is recently synthesized by mechanical exfoliation of the black phosphorus. Phosphorene forming a puckered honeycomb structure similar to silicene. However, unlike zero-bandgap graphene and silicene, phosphorene is a direct band gap semiconductor, which makes it very attractive for the nanoelectronic devices. According to the studies, local defects can always exist at any temperature. The most probable defect type is the single vacancy in the single layer honeycomb structures. Vacancy defects can be emerged during growth process and they change the properties of materials significantly. In this study, we show that how to manipulate interaction and binding mechanisms of biomolecules with 2D materials with increased chemical activity by vacancy defects.

  10. 78 FR 18618 - National Offshore Safety Advisory Committee; Vacancies

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-03-27

    ... offshore drilling; (c) One member representing companies, organizations, enterprises or similar entities... entities engaged in offshore oil exploration and production on the Outer Continental Shelf of Alaska. To be... SECURITY Coast Guard National Offshore Safety Advisory Committee; Vacancies AGENCY: United States...

  11. 76 FR 11503 - National Offshore Safety Advisory Committee; Vacancies

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-03-02

    ... offshore supply vessels or other vessels, of offshore mineral and oil operations including geophysical; (b... environmental interests; and, (e) One person representing enterprises specializing in offshore drilling. To be... SECURITY Coast Guard National Offshore Safety Advisory Committee; Vacancies AGENCY: Coast Guard,...

  12. Vacancy Interlayer Migration in Multi-layered Graphene

    NASA Astrophysics Data System (ADS)

    Liu, Lili; Gao, Junfeng; Zhang, Xiuyun; Yan, Tianying; Ding, Feng

    2014-03-01

    Graphene has innumerous applications due to its exceptional properties. Various defects that may be introduced into the graphene lattice during synthesis and/or post-treatments are known have significantly impact on these properties. So engineering graphene by introducing or annealing of defects is an important technology to achieve desired properties for various applications. Therefore a comprehensive understanding on the behavior of defects in graphene is critically important. Here, interlayer migration of the vacancies in multi-layered graphene (MLG) was investigated by density functional tight-binding molecular dynamic simulations and first principle calculations. Our study reveals that, although the direct vacancy migration between neighboring graphene layers (NGLs) is prohibited by a very high barrier up to ~ 7 eV, the interaction between vacancies or vacancy and holes in NGLs can greatly reduce the barrier to ~ 3 eV and expedites the migration process. Our study reveals a new mechanism of the defect self-healing in MLG and multi-walled carbon nanotubes and it can be used to engineer desired graphene materials.

  13. 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.

  14. 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: Request for applications. SUMMARY: The United States Coast Guard (the Coast Guard) is requesting... Safety Advisory Committee (TSAC). TSAC advises the Coast Guard on matters relating to shallow-...

  15. 17 CFR 140.13 - Vacancy in position of Chairman.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... ORGANIZATION, FUNCTIONS, AND PROCEDURES OF THE COMMISSION Functions § 140.13 Vacancy in position of Chairman... of the Commission shall elect a member to serve as acting Chairman who shall exercise the executive and administrative functions of the Commission that would otherwise be exercised by a Chairman...

  16. 17 CFR 140.13 - Vacancy in position of Chairman.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... ORGANIZATION, FUNCTIONS, AND PROCEDURES OF THE COMMISSION Functions § 140.13 Vacancy in position of Chairman... of the Commission shall elect a member to serve as acting Chairman who shall exercise the executive and administrative functions of the Commission that would otherwise be exercised by a Chairman...

  17. 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... fitness and without regard to political or religious affiliations, marital status, or race....

  18. Greatly facilitated oxygen vacancy formation in ceria nanocrystallites.

    PubMed

    Migani, Annapaola; Vayssilov, Georgi N; Bromley, Stefan T; Illas, Francesc; Neyman, Konstantin M

    2010-08-28

    The formation of oxygen vacancies in nanoparticles Ce(n)O(2n) (n < or = 80), studied using density-functional calculations, is found to be greatly facilitated compared to extended surfaces, which explains the observed spectacular reactivity of nanostructured ceria.

  19. 77 FR 15784 - Navigation Safety Advisory Council; Vacancies

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-03-16

    ... SECURITY Coast Guard Navigation Safety Advisory Council; Vacancies AGENCY: Coast Guard, DHS. ACTION: Request for applications. SUMMARY: The Coast Guard seeks applications for membership on the Navigation..., rammings, and groundings, Inland Rules of the Road, International Rules of the Road, navigation...

  20. 78 FR 32412 - Navigation Safety Advisory Council; Vacancies

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-05-30

    ... SECURITY Coast Guard Navigation Safety Advisory Council; Vacancies AGENCY: Coast Guard, DHS. ACTION: Request for applications. SUMMARY: The Coast Guard seeks applications for membership on the Navigation..., rammings, and groundings; Inland Rules of the Road; International Rules of the Road; navigation...

  1. 75 FR 49508 - Navigation Safety Advisory Council; Vacancies

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-08-13

    ... SECURITY Coast Guard Navigation Safety Advisory Council; Vacancies AGENCY: Coast Guard, DHS. ACTION: Request for applications. SUMMARY: The Coast Guard seeks applications for membership on the Navigation... ] related to navigation safety such as the prevention of collisions, rammings, and groundings. This...

  2. 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...

  3. 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.

  4. 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....

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

    DOE PAGES

    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

  6. Interaction of primary cascades with different atomic grain boundaries in α-Zr: An atomic scale study

    NASA Astrophysics Data System (ADS)

    Hatami, F.; Feghhi, S. A. H.; Arjhangmehr, A.; Esfandiarpour, A.

    2016-11-01

    In this paper, we investigate interaction of primary cascades with grain boundaries (GBs) in α-Zr using the atomistic-scale simulations, and intend to study the influence of different GB structures on production and evolution of defects on picosecond timescale. We observe that, contrary to the previous results in cubic metals, GBs in α-Zr are not necessarily biased toward interstitials, and can preferentially absorb vacancies. Further, in terms of energetic and kinetic behavior, we find that GBs act as defect sinks due to the substantial reduction of defect formation energies and migration barriers in close vicinity of the GB center, with either a preference toward interstitials or vacancies which depends on the atomic structure of the boundaries. Finally, using continuous ion bombardment, we investigate the stability of GBs in sever irradiation environment. The results indicate that the sink strength and efficiency of boundaries varies with increasing accumulated defects in GB region.

  7. 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....

  8. 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....

  9. 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....

  10. 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... HOUSING AND URBAN DEVELOPMENT PUBLIC HOUSING MANAGEMENT ASSESSMENT PROGRAM § 901.10 Indicator #1, vacancy rate and unit turnaround time. This indicator examines the vacancy rate, a PHA's progress in...

  11. Detection of vacancy defects in gallium arsenide by positron lifetime spectroscopy

    SciTech Connect

    Saarinen, K.; Kuisma, S.; Hautojaervi, P.

    1996-12-01

    Vacancy-related native defects were studied in semi-insulating GaAs by positron life-time measurements. Both gallium and arsenic vacancies are observed at concentrations of 10{sup 15} - 10{sup 16} cm{sup -3}. The experiments in the dark after illumination manifest the vacancy nature of the metastable state of the EL2 center.

  12. 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...

  13. Cascade aeroacoustics including steady loading effects

    NASA Astrophysics Data System (ADS)

    Chiang, Hsiao-Wei D.; Fleeter, Sanford

    A mathematical model is developed to analyze the effects of airfoil and cascade geometry, steady aerodynamic loading, and the characteristics of the unsteady flow field on the discrete frequency noise generation of a blade row in an incompressible flow. The unsteady lift which generates the noise is predicted with a complex first-order cascade convected gust analysis. This model was then applied to the Gostelow airfoil cascade and variations, demonstrating that steady loading, cascade solidity, and the gust direction are significant. Also, even at zero incidence, the classical flat plate cascade predictions are unacceptable.

  14. 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.

  15. 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

  16. Cascade Mountain Range in Oregon

    USGS Publications Warehouse

    Sherrod, David R.

    2016-01-01

    Along its Oregon segment, the Cascade Range is almost entirely volcanic in origin. The volcanoes and their eroded remnants are the visible magmatic expression of the Cascadia subduction zone, where the offshore Juan de Fuca tectonic plate is subducted beneath North America. Subduction occurs as two lithospheric plates collide, and an underthrusted oceanic plate is commonly dragged into the mantle by the pull of gravity, carrying ocean-bottom rock and sediment down to where heat and pressure expel water. As this water rises, it lowers the melting temperature in the overlying hot mantle rocks, thereby promoting melting. The molten rock supplies the volcanic arcs with heat and magma. Cascade Range volcanoes are part of the Ring of Fire, a popular term for the numerous volcanic arcs that encircle the Pacific Ocean.

  17. 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.

  18. 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.

  19. Dynamics robustness of cascading systems

    PubMed Central

    Kaneko, Kunihiko

    2017-01-01

    A most important property of biochemical systems is robustness. Static robustness, e.g., homeostasis, is the insensitivity of a state against perturbations, whereas dynamics robustness, e.g., homeorhesis, is the insensitivity of a dynamic process. In contrast to the extensively studied static robustness, dynamics robustness, i.e., how a system creates an invariant temporal profile against perturbations, is little explored despite transient dynamics being crucial for cellular fates and are reported to be robust experimentally. For example, the duration of a stimulus elicits different phenotypic responses, and signaling networks process and encode temporal information. Hence, robustness in time courses will be necessary for functional biochemical networks. Based on dynamical systems theory, we uncovered a general mechanism to achieve dynamics robustness. Using a three-stage linear signaling cascade as an example, we found that the temporal profiles and response duration post-stimulus is robust to perturbations against certain parameters. Then analyzing the linearized model, we elucidated the criteria of when signaling cascades will display dynamics robustness. We found that changes in the upstream modules are masked in the cascade, and that the response duration is mainly controlled by the rate-limiting module and organization of the cascade’s kinetics. Specifically, we found two necessary conditions for dynamics robustness in signaling cascades: 1) Constraint on the rate-limiting process: The phosphatase activity in the perturbed module is not the slowest. 2) Constraints on the initial conditions: The kinase activity needs to be fast enough such that each module is saturated even with fast phosphatase activity and upstream changes are attenuated. We discussed the relevance of such robustness to several biological examples and the validity of the above conditions therein. Given the applicability of dynamics robustness to a variety of systems, it will provide a

  20. Turbulence: Does Energy Cascade Exist?

    NASA Astrophysics Data System (ADS)

    Josserand, Christophe; Le Berre, Martine; Lehner, Thierry; Pomeau, Yves

    2016-11-01

    To answer the question whether a cascade of energy exists or not in turbulence, we propose a set of correlation functions able to test if there is an irreversible transfert of energy, step by step, from large to small structures. These tests are applied to real Eulerian data of a turbulent velocity flow, taken in the wind grid tunnel of Modane, and also to a prototype model equation for wave turbulence. First we demonstrate the irreversible character of the flow by using multi-time correlation function at a given point of space. Moreover the unexpected behavior of the test function leads us to connect irreversibility and finite time singularities (intermittency). Secondly we show that turbulent cascade exists, and is a dynamical process, by using a test function depending on time and frequency. The cascade shows up only in the inertial domain where the kinetic energy is transferred more rapidly (on average) from the wavenumber k1 to k2 than from k1 to k'2 larger than k2.

  1. Demixing cascades in cluster crystals.

    PubMed

    Wilding, Nigel B; Sollich, Peter

    2014-09-07

    In a cluster crystal, each lattice site is occupied by multiple soft-core particles. As the number density is increased at zero temperature, a "cascade" of isostructural phase transitions can occur between states whose site occupancy differs by unity. For low but finite temperature, each of these transitions terminates in a critical point. Using tailored Monte Carlo simulation techniques, we have studied such demixing cascades in systems of soft particles interacting via potentials of the generalized exponential form u(r) = ε exp [-(r/σ)(n)]. We have estimated the critical parameters of the first few transitions in the cascade as a function of the softness parameter n. The critical temperature and pressure exhibit non-monotonic behavior as n is varied, although the critical chemical potential remains monotonic. The trends for the pressure and chemical potential are confirmed by cell model calculations at zero temperature. As n → 2(+), all the transitions that we have observed are preempted by melting although we cannot rule out that clustering transitions survive at high density.

  2. Enantioselective organo-cascade catalysis.

    PubMed

    Huang, Yong; Walji, Abbas M; Larsen, Catharine H; MacMillan, David W C

    2005-11-02

    A new strategy for organocatalysis based on the biochemical blueprints of biosynthesis has enabled a new laboratory approach to cascade catalysis. Imidazolidinone-based catalytic cycles, involving iminium and enamine activation, have been successfully combined to allow a large diversity of nucleophiles (furans, thiophenes, indoles, butenolides, hydride sources, tertiary amino lactone equivalents) and electrophiles (fluorinating and chlorinating reagents) to undergo sequential addition with a wide array of alpha,beta-unsaturated aldehydes. These new cascade catalysis protocols allow the invention of enantioselective transformations that were previously unknown, including the asymmetric catalytic addition of the elements of HF across a trisubstituted olefin. Importantly, these domino catalysis protocols can be mediated by a single imidazolidinone catalyst or using cycle-specific amine catalysts. In the latter case, cascade catalysis pathways can be readily modulated to provide a required diastereo- and enantioselective outcome via the judicious selection of the enantiomeric series of the amine catalysts. A central benefit of combining multiple asymmetric organocatalytic events into one sequence is the intrinsic requirement for enantioenrichment in the second induction cycle, as demonstrated by the enantioselectivities obtained throughout this study (>/=99% ee in all cases).

  3. 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.

  4. Fuzzy clustering methods: An application to atomic displacement cascades in solids

    NASA Astrophysics Data System (ADS)

    Hou, M.

    1989-03-01

    Representations based on the concepts of the theory of fuzzy sets are suggested to apply to a wide variety of problems in physics. A grade of membership is associated to each element in a set, which is a measure of its distance to a prototype. Fuzzy representations are thus adequate for dealing with situations where the belongingness of an object or a phenomenon to a class is uncertain, or to situations where the classes have no exact definition. An explicit relation is shown between fuzzy representation and dimensionality. Unambiguous definitions of the degree of fuzziness, cluster overlap, and isolated points are given on the basis of an anisotropic grade of membership function. The example is treated of collision cascades generated by xenon atoms incident on a polycrystalline gold surface with energies ranging from 20 keV to 1 MeV. The cascades are simulated in the binary collision approximation with the Marlowe computer code. They are shown to germinate from simultaneously growing collisions clusters. The displacement cascades are found to be only partially space filling. This is emphasized on the basis of their fuzzy geometrical characteristics, without need of any assumption concerning self-similarity. Their possible overlap and lumping are identified on the basis of the grade of membership of each vacated lattice site to each cluster. The final cluster pattern of the vacancy distributions is shown to depend on the degree of fuzziness. The sensitivity of several properties of vacancy clusters on the degree of fuzziness is discussed. This sensitivity is suggested to be a consequence of their granular structure. Consequently, their experimental characterization may be influenced by the resolution of the observation method. Fuzzy analysis is suggested as a tool to establish the relation between measures at different scales of the same phenomenon.

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. Transition Metal and Vacancy Defect Complexes in Phosphorene

    NASA Astrophysics Data System (ADS)

    Kabir, Mukul; Babar, Rohit

    Inducing magnetic moment in otherwise nonmagnetic two-dimensional semiconducting materials is the first step to design spintronic material. Here, we study the adsorption of transition-metals on pristine and defected phosphorene, within density functional theory. We predict that increased transition-meal diffusivity on the pristine phosphorene would hinder controlled magnetism. In contrast, point-defects anchor the transiton-metal to reduce metal diffusivity. The di-vacancy complex is more important in this context due to their increased thermodynamic stability over the mono-vacancy. For most cases, the defect-transition metal complexes retain the intrinsic semiconducting properties, and induce a local moment. We provide a simple microscopic model which describe the local moment of these transition metal and defect complexes.

  10. 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.

  11. Electronic structure of Si vacancy centers in SiC

    NASA Astrophysics Data System (ADS)

    Soykal, Oney; Dev, Pratibha; Economou, Sophia

    2015-03-01

    The spin state of silicon vacancies in SiC is a promising candidate for applications in solid state quantum information technologies due to its long coherence time at room temperature, its technological availability and wide range of polytypism. Until recently, the electronic structure of this vacancy was not well understood. We have developed a group theoretical model that correctly predicts the spin 3/2 structure seen in recent experiments for the 4H-SiC defect. We have included several different mechanisms involved in the mixing of its spin states, such as crystal field splitting, spin-orbit coupling, spin-spin coupling, strain and Jahn-Teller interactions. We have also carried out DFT calculations that support and complement our analytical results.

  12. A single-volume approach for vacancy formation thermodynamics calculations

    NASA Astrophysics Data System (ADS)

    Bochkarev, A. S.; Zamulko, S. O.; Gorbatov, O. I.; Sidorenko, S. I.; Puschnig, P.; Ruban, A. V.

    2016-10-01

    The vacancy formation Gibbs free energy, enthalpy and entropy in fcc Al, Ag, Pd, Cu, and bcc Mo are determined by first-principles calculations using the quasi-harmonic approximation to account for vibrational contributions. We show that the Gibbs free energy can be determined with sufficient accuracy in a single-volume approach using the fixed equilibrium volume of the defect-free supercell. Although the partial contributions to the Gibbs free energy, namely, the formation enthalpy and entropy exhibit substantial errors when obtained directly in this approach, they can be computed from the Gibbs free energy using the proper thermodynamic relations. Compared to experimental data, the temperature dependence of the vacancy formation Gibbs free energy is accounted for at low temperatures, while it overestimates the measurements at high temperature, which is attributed to the neglect of anharmonic effects.

  13. Kinetic processes in solid helium involving impurities and vacancies (Review)

    NASA Astrophysics Data System (ADS)

    Maidanov, V. A.; Rudavskii, E. Ya.; Sokolov, S. S.

    2017-01-01

    A brief review is given of the kinetic behavior of impurities and vacancies in solid helium, which Andreev and Lifshitz predicted should be delocalized and converted into unique quasiparticles. Primary attention is devoted to the unusual diffusion processes in solid 3He-4He solutions as they undergo phase separation. Because mechanical stresses develop in the crystal during separation, the diffusive flow is substantially reduced and the effective diffusion coefficient becomes smaller than the coherent quantum diffusion coefficient. During the inverse transition from a separated mixture into the homogeneous state, anomalously rapid mass transfer is observed which can be explained qualitatively in terms of a model in which 3He inclusions are dissolved in three stages. Experimental data on the kinetics of phase separation are compared with a diffusive description of the process that takes into account the difference between diffusion processes outside and inside a nucleus of the new phase. Good agreement is obtained between a theoretical calculation and the experimental data. A homogeneous nucleation model is used to estimate the concentration of nuclei. For the first time, the coefficient of mass diffusion is estimated over the entire range of the concentration of the solutions. The behavior of delocalized vacancies in 4He and 3He solid solutions is studied near the separation temperature. The observed features of the pressure in this kind of system during repeated temperature cycling are explained by the formation of pure 4He vacancy clusters. Although the crystal itself has no strict periodicity owing to the random separation of 3He and 4He atoms at the lattice sites, a periodic structure is realized within a cluster and vacancies become delocalized.

  14. Vacancy-associated Te sites in GaAs

    NASA Astrophysics Data System (ADS)

    Wuyts, K.; Langouche, G.; van Rossum, M.; Silverans, R. E.

    1992-03-01

    Defect structures, observed by 129I Mössbauer spectroscopy in high-dose Te-doped GaAs, are identified by a reference study of the semiconducting compound Ga2Te3. The formation of TeAs-VGa complexes (tellurium atoms quasisubstitutional on an As site with a gallium vacancy in the first-neighbor shell) is proposed, in agreement with theoretical predictions. The relevance of this assignment in relation to the earlier proposed Te DX configuration is also discussed.

  15. 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.

  16. 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.

  17. Oxygen vacancies and ferromagnetism in Co-doped anatase

    NASA Astrophysics Data System (ADS)

    Jaffe, John

    2005-03-01

    Cobalt-doped titanium dioxide, or CTO, has emerged in the past few years as a semiconducting, transparent, room-temperature ferromagnet. Very recently it has been shown that the magnetism in anatase-structure CTO often originates in surface nanoparticles or Co-rich regions that have a much-enhanced substitutional Co content up to 40% of Ti sites, so that magnetic CTO is not a true dilute magnetic semiconductor (DMS), but rather a fairly high-density spin system. In this work we describe a computational study of Co-rich CTO using the Generalized Gradient Approximation (GGA) to density functional theory (DFT) within the supercell model. Our total energy calculations show a strong tendency for Co-atom clustering or segregation on Ti sites. There is also a strong tendency for the oxygen vacancies to form complexes with the Co atoms. In addition, we find that the oxygen stoichiometry plays an essential role in determining the system's magnetic order. The largest ordered moments require at least enough oxygen vacancies to put all of the Co atoms in the +2 charge state, as they indeed appear to be experimentally, so that the conventional DMS mechanism could only apply via n-type carriers. We find a small but not negligible spin density associated with Ti atoms near the vacancy sites, suggesting an F-center-mediated interaction between the much larger Co moments.

  18. Vacancy-Induced Low-Energy States in Undoped Graphene

    NASA Astrophysics Data System (ADS)

    Sanyal, Sambuddha; Damle, Kedar; Motrunich, Olexei I.

    2016-09-01

    We demonstrate that a nonzero concentration nv of static, randomly placed vacancies in graphene leads to a density w of zero-energy quasiparticle states at the band center ɛ =0 within a tight-binding description with nearest-neighbor hopping t on the honeycomb lattice. We show that w remains generically nonzero in the compensated case (exactly equal number of vacancies on the two sublattices) even in the presence of hopping disorder and depends sensitively on nv and correlations between vacancy positions. For low, but not-too-low, |ɛ |/t in this compensated case, we show that the density of states ρ (ɛ ) exhibits a strong divergence of the form ρDyson(ɛ )˜|ɛ |-1/[log (t /|ɛ |)](y+1 ), which crosses over to the universal low-energy asymptotic form (modified Gade-Wegner scaling) expected on symmetry grounds ρGW(ɛ )˜|ɛ |-1e-b [log (t /|ɛ |)]2/3 below a crossover scale ɛc≪t . ɛc is found to decrease rapidly with decreasing nv, while y decreases much more slowly.

  19. Deuterium thermal desorption from vacancy clusters in tungsten

    NASA Astrophysics Data System (ADS)

    Ryabtsev, S.; Gasparyan, Yu.; Zibrov, M.; Shubina, A.; Pisarev, A.

    2016-09-01

    Deuterium interaction with vacancy clusters in tungsten was studied by means of thermal desorption spectroscopy (TDS). A recrystallized W foil was used as a sample, and the vacancy clusters were formed in the bulk by irradiation with 10 keV/D ions to the fluence of 3 × 1019 D/m2 and subsequent annealing at the temperature of 800 K. Then the sample was loaded with deuterium (0.67 keV/D ions with a fluence of 1 × 1019 D/m2), and TDS measurements with varying heating rates β in the range of 0.25-4 K/s were performed. The high temperature peak with the maximum at around 700 K was attributed to deuterium desorption from vacancy clusters and the detrapping energy for this type of defects was determined from the slope of the Arrhenius-like plot ln (β / Tm2) versus 1 /Tm , where Tm is the peak position. The detrapping energy calculated this way is 2.10 ± 0.02 eV.

  20. Strain control of oxygen vacancies in epitaxial strontium cobaltite films

    DOE PAGES

    Jeen, Hyoung Jeen; Choi, Woo Seok; Reboredo, Fernando A.; ...

    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. Strain Control of Oxygen Vacancies in Epitaxial Strontium Cobaltite Films

    SciTech Connect

    Petrie, Jonathan R.; Mitra, Chandrima; Jeen, Hyoungjeen; Choi, Woo Seok; Meyer, Tricia L.; Reboredo, Fernando A.; Freeland, John W.; Eres, Gyula; Lee, Ho Nyung

    2016-03-08

    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 degrees C. By applying a small biaxial tensile strain (2%), the oxygen activation energy barrier decreases by approximate to 30%, resulting in a tunable oxygen defi cient 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.

  2. Strain control of oxygen vacancies in epitaxial strontium cobaltite films

    SciTech Connect

    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 in 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.

  3. 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

  4. 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.

  5. Cascades on clique-based graphs.

    PubMed

    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. E 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.

  6. Power Grid Defense Against Malicious Cascading Failure

    DTIC Science & Technology

    2014-05-01

    Power Grid Defense Against Malicious Cascading Failure Paulo Shakarian Dept. EECS and Network Science Center U.S. Military Academy West Point, NY...adversary looking to disrupt a power grid may look to target certain substations and sources of power genera- tion to initiate a cascading failure that...graph and introduce the cascad - ing failure game in which both the defender and attacker choose a subset of power stations such as to minimize (max

  7. Hydraulic machine with non-uniform cascade

    NASA Astrophysics Data System (ADS)

    Haluza, M.; Pochylý, F.; Habán, V.

    2012-11-01

    In this article is introduced the sentence of an extension of operational zone of hydraulic machines. The problems of its extending is based on the design of non-uniform cascade. The non-uniform cascade is connected with other factors. The change of own frequency of the runner of a hydraulic machine and pressure pulsations. The suitable construction of non-uniform cascade is introduced on the results of computational simulation and experiment.

  8. 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.

  9. Dynamics of cavitating cascades and inducer pumps

    NASA Technical Reports Server (NTRS)

    Brennen, C. E.; Acosta, A. J.

    1981-01-01

    Report chronicles advances in understanding and predicting unsteady dynamic characteristics of cavitating cascades and inducer pumps. It includes bibliography of 19 papers authored between 1972 and 1980.

  10. Molecular dynamics simulation on mechanical properties of crystalline CoSb3 with vacancy defect

    NASA Astrophysics Data System (ADS)

    Yang, Xu-qiu; Zhai, Peng-cheng; Liu, Li-sheng; Zhang, Qing-jie

    2012-06-01

    The present work has investigated the tensile mechanical behavior of the skutterudite CoSb3 single-crystal in the presence of antimony vacancies, since the antimony atoms in CoSb3 are active and are usually easy to lose in practice. The molecular dynamics simulation method is employed. The vacancy atoms, whose fraction is limited up to 5%, are chosen randomly. The virtual uniaxial tension is carried out by strain controlling along a principal crystallographic direction at 300 K. The specimens with vacancies show similar stress-strain response features to there of the perfect crystal. However, the effective Young's modulus decreases linearly with the increase of the vacancy content, and the ultimate strength drops substantially from no vacancy to even a small vacancy fraction. Temperature dependence of the simulation results is also considered. Both Young's modulus and the ultimate strength exhibit an approximately linear reduction with increasing temperature for a specific vacancy fraction, and moreover, the reduction rate is comparable for different vacancy fractions. The Vacancy distribution effect is briefly discussed as well. As the vacancy concentration becomes uniform, the ultimate strength of the material would be promoted significantly.

  11. 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.

  12. Vacancy dynamic in Ni-Mn-Ga ferromagnetic shape memory alloys

    SciTech Connect

    Merida, D.; Sánchez-Alarcos, V.; Pérez-Landazábal, J. I.; Recarte, V.; Plazaola, F.

    2014-06-09

    Vacancies control any atomic ordering process and consequently most of the order-dependent properties of the martensitic transformation in ferromagnetic shape memory alloys. Positron annihilation spectroscopy demonstrates to be a powerful technique to study vacancies in NiMnGa alloys quenched from different temperatures and subjected to post-quench isothermal annealing treatments. Considering an effective vacancy type the temperature dependence of the vacancy concentration has been evaluated. Samples quenched from 1173 K show a vacancy concentration of 1100 ± 200 ppm. The vacancy migration and formation energies have been estimated to be 0.55 ± 0.05 eV and 0.90 ± 0.07 eV, respectively.

  13. Tailoring oxygen vacancies at ZnO( 1 1 ¯ 00 ) surface: An ab initio study

    NASA Astrophysics Data System (ADS)

    Korir, K. K.; Catellani, A.; Cicero, G.

    2016-09-01

    Oxygen vacancies in ZnO crystals have significant impacts on its properties and applications. On the basis of ab initio results, we describe the oxygen vacancy distribution and diffusion paths away from the ZnO( 1 1 ¯ 00 ) surface, aiming to elucidate thermodynamics and kinetic stability of the vacancies and a possible control mechanism. In view of defect engineering and sensor applications, we propose efficient routes to chemically control the equilibrium concentration of the oxygen vacancies at ZnO surfaces by exposure to specific reactive gases: we show that the oxygen vacancy concentration can be increased using sulfur oxide as post-growth treatment, while under exposure to ozone, no significant amount of oxygen vacancies can be sustained on the surface.

  14. Vacancies in functional materials for clean energy storage and harvesting: the perfect imperfection.

    PubMed

    Li, Guowei; Blake, Graeme R; Palstra, Thomas T M

    2017-03-21

    Vacancies exist throughout nature and determine the physical properties of materials. By manipulating the density and distribution of vacancies, it is possible to influence their physical properties such as band-gap, conductivity, magnetism, etc. This can generate exciting applications in the fields of water treatment, energy storage, and physical devices such as resistance-change memories. In this review, we focus on recent progress in vacancy engineering for the design of materials for energy harvesting applications. A brief discription of the concept of vacancies, the way to create and control them, as well as their fundamental properties, is first provided. Then, emphasis is placed on the strategies used to tailor vacancies for metal-insulator transitions, electronic structures, and introducing magnetism in non-magnetic materials. Finally, we present representative applications of different structures with vacancies as active electrode materials of lithium or sodium ion batteries, catalysts for water splitting, and hydrogen evolution.

  15. Properties of Vacancy Complexes with Hydrogen and Helium Atoms in Tungsten from First Principles

    SciTech Connect

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

    2016-12-03

    Tungsten and its alloys are the primary candidate materials for plasma-facing components in fusion reactors. The material is exposed to high-energy neutrons and the high flux of helium and hydrogen atoms. In this paper, we have studied the properties of vacancy clusters and their interaction with H and He in W using density functional theory. Convergence of calculations with respect to modeling cell size was investigated. It is demonstrated that vacancy cluster formation energy converges with small cells with a size of 6 × 6 × 6 (432 lattice sites) enough to consider a microvoid of up to six vacancies with high accuracy. Most of the vacancy clusters containing fewer than six vacancies are unstable. Introducing He or H atoms increases their binding energy potentially making gas-filled bubbles stable. Finally, according to the results of the calculations, the H2 molecule is unstable in clusters containing six or fewer vacancies.

  16. 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

  17. Cascading costs: an economic nitrogen cycle.

    PubMed

    Moomaw, William R; Birch, Melissa B L

    2005-12-01

    The chemical nitrogen cycle is becoming better characterized in terms of fluxes and reservoirs on a variety of scales. Galloway has demonstrated that reactive nitrogen can cascade through multiple ecosystems causing environmental damage at each stage before being denitrified to N2. We propose to construct a parallel economic nitrogen cascade (ENC) in which economic impacts of nitrogen fluxes can be estimated by the costs associated with each stage of the chemical cascade. Using economic data for the benefits of damage avoided and costs of mitigation in the Chesapeake Bay basin, we have constructed an economic nitrogen cascade for the region. Since a single tonne of nitrogen can cascade through the system, the costs also cascade. Therefore evaluating the benefits of mitigating a tonne of reactive nitrogen released needs to consider the damage avoided in all of the ecosystems through which that tonne would cascade. The analysis reveals that it is most cost effective to remove a tonne of nitrogen coming from combustion since it has the greatest impact on human health and creates cascading damage through the atmospheric, terrestrial, aquatic and coastal ecosystems. We will discuss the implications of this analysis for determining the most cost effective policy option for achieving environmental quality goals.

  18. Cascading costs: an economic nitrogen cycle.

    PubMed

    Moomaw, William R; Birch, Melissa B L

    2005-09-01

    The chemical nitrogen cycle is becoming better characterized in terms of fluxes and reservoirs on a variety of scales. Galloway has demonstrated that reactive nitrogen can cascade through multiple ecosystems causing environmental damage at each stage before being denitrified to N(2). We propose to construct a parallel economic nitrogen cascade (ENC) in which economic impacts of nitrogen fluxes can be estimated by the costs associated with each stage of the chemical cascade. Using economic data for the benefits of damage avoided and costs of mitigation in the Chesapeake Bay basin, we have constructed an economic nitrogen cascade for the region. Since a single ton of nitrogen can cascade through the system, the costs also cascade. Therefore evaluating the benefits of mitigating a ton of reactive nitrogen released needs to consider the damage avoided in all of the ecosystems through which that ton would cascade. The analysis reveals that it is most cost effective to remove a ton of nitrogen coming from combustion since it has the greatest impact on human health and creates cascading damage through the atmospheric, terrestrial, aquatic and coastal ecosystems. We will discuss the implications of this analysis for determining the most cost effective policy option for achieving environmental quality goals.

  19. Geothermal Resources of the Cascades: USGS Workshop

    NASA Astrophysics Data System (ADS)

    Guffanti, Marianne; Muffler, Patrick

    Since 1979, the Geothermal Research Program of the U.S. Geological Survey (USGS) has carried out a multidisciplinary research effort in the Cascade Range. The goal of this effort is to understand the tectonics, geology, and hydrology of the Cascades as a framework for characterizing and quantifying its geothermal resources. In May 1985, 5 years after an initial USGS-sponsored Cascades conference [Bacon, 1980], the Geothermal Research Program again sponsored a workshop on geothermal resources of the Cascade Range. Motivation for the workshop came primarily from the conviction within the Geothermal Research Program that the Cascade effort had advanced sufficiently that a forum with an explicitly geothermal focus was needed to promote the synthesis of ideas from diverse research projects. In addition, it was thought that research drilling plans in the Cascades that were being formulated by various other agencies also could benefit from the examination and evaluation that a workshop would foster. Accordingly, the workshop was designed to develop a common understanding of the status of various investigations among USGS and other scientists working in the Cascades, to stimulate renewed interest in understanding the geothermal regime of this volcanic chain, and to encourage the tectonic, geologic, and hydrologic synthesis necessary for a quantitative assessment of geothermal resources of the Cascades, a major objective of the USGS Geothermal Research Program.

  20. 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...

  1. 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.

  2. 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.

  3. Cascade Joule-Thomson refrigerators

    NASA Technical Reports Server (NTRS)

    Tward, E.; Steyert, W. A.

    1983-01-01

    The design criteria for cascade Joule-Thomson refrigerators for cooling in the temperature range from 300 K to 4.2 K were studied. The systems considered use three or four refrigeration stages with various working gases to achieve the low temperatures. Each stage results in cooling to a progressively lower temperature and provides cooling at intermediate temperatures to remove the substantial amount of parasitic heat load encountered in a typical dewar. With careful dewar design considerable cooling can be achieved with moderate gas flows. For many applications, e.g., in the cooling of sensitive sensors, the fact that the refrigerator contains no moving parts and may be remotely located from the gas source is of considerable advantage. A small compressor suitable for providing the gas flows required was constructed.

  4. Physics of cosmological cascades and observable properties

    NASA Astrophysics Data System (ADS)

    Fitoussi, T.; Belmont, R.; Malzac, J.; Marcowith, A.; Cohen-Tanugi, J.; Jean, P.

    2017-04-01

    TeV photons from extragalactic sources are absorbed in the intergalactic medium and initiate electromagnetic cascades. These cascades offer a unique tool to probe the properties of the universe at cosmological scales. We present a new Monte Carlo code dedicated to the physics of such cascades. This code has been tested against both published results and analytical approximations, and is made publicly available. Using this numerical tool, we investigate the main cascade properties (spectrum, halo extension and time delays), and study in detail their dependence on the physical parameters (extragalactic magnetic field, extragalactic background light, source redshift, source spectrum and beaming emission). The limitations of analytical solutions are emphasized. In particular, analytical approximations account only for the first generation of photons and higher branches of the cascade tree are neglected.

  5. 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.

  6. Sampling the diffusion paths of a neutral vacancy in silicon with quantum mechanical calculations

    NASA Astrophysics Data System (ADS)

    El-Mellouhi, Fedwa; Mousseau, Normand; Ordejón, Pablo

    2004-11-01

    We report a first-principles study of vacancy-induced self-diffusion in crystalline silicon. Starting from a fully relaxed configuration with a neutral vacancy, we proceed to search for local diffusion paths. The diffusion of the vacancy proceeds by hops to first nearest neighbor with an energy barrier of 0.40eV in agreement with experimental results. Competing mechanisms are identified, such as the reorientation, and the recombination of dangling bonds by Wooten-Winer-Weaire process.

  7. Suppression of vacancy defects in epitaxial La-doped SrTiO{sub 3} films

    SciTech Connect

    Keeble, D. J.; Kanda, G.; Jalan, B.; Stemmer, S.; Ravelli, L.; Egger, W.

    2011-12-05

    Variable energy positron annihilation lifetime spectroscopy of high-mobility La-doped SrTiO{sub 3} grown by molecular beam epitaxy found that the films contained sufficiently low concentrations of Sr vacancies and vacancy cluster defects to allow the observation of positron annihilation events from the perfect lattice. This enabled the concentrations of charged cation vacancies to be estimated, and these were found to be at least an order of magnitude below the La-dopant concentrations.

  8. 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.

  9. The interaction of oxygen vacancies with grain boundaries in monoclinic HfO2

    NASA Astrophysics Data System (ADS)

    McKenna, Keith; Shluger, Alexander

    2009-11-01

    The diffusion and segregation of oxygen vacancies near a grain boundary in m-HfO2 is investigated by first principles calculations. We find that both neutral and positive vacancies segregate to the grain boundary. Positive vacancies, which are mobile in the bulk with activation energies for diffusion ˜0.7 eV, have enhanced mobility parallel to the boundary plane but once at the boundary face high barriers to climb out.

  10. Vacancy-induced mechanical stabilization of cubic tungsten nitride

    NASA Astrophysics Data System (ADS)

    Balasubramanian, Karthik; Khare, Sanjay; Gall, Daniel

    2016-11-01

    First-principles methods are employed to determine the structural, mechanical, and thermodynamic reasons for the experimentally reported cubic WN phase. The defect-free rocksalt phase is both mechanically and thermodynamically unstable, with a negative single crystal shear modulus C44=-86 GPa and a positive enthalpy of formation per formula unit Hf=0.623 eV with respect to molecular nitrogen and metallic W. In contrast, WN in the NbO phase is stable, with C44=175 GPa and Hf=-0.839 eV . A charge distribution analysis reveals that the application of shear strain along [100] in rocksalt WN results in an increased overlap of the t2 g orbitals which causes electron migration from the expanded to the shortened W-W <110 > bond axes, yielding a negative shear modulus due to an energy reduction associated with new bonding states 8.1-8.7 eV below the Fermi level. A corresponding shear strain in WN in the NbO phase results in an energy increase and a positive shear modulus. The mechanical stability transition from the NaCl to the NbO phase is explored using supercell calculations of the NaCl structure containing Cv=0 %-25 % cation and anion vacancies, while keeping the N-to-W ratio constant at unity. The structure is mechanically unstable for Cv<5 % . At this critical vacancy concentration, the isotropic elastic modulus E of cubic WN is zero, but increases steeply to E =445 GPa for Cv=10 % , and then less steeply to E =561 GPa for Cv=25 % . Correspondingly, the hardness estimated using Tian's model increases from 0 to 15 to 26 GPa as Cv increases from 5% to 10% to 25%, indicating that a relatively small vacancy concentration stabilizes the cubic WN phase and that the large variations in reported mechanical properties of WN can be attributed to relatively small changes in Cv.

  11. 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).

  12. 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.

  13. Lattice Distortions and Oxygen Vacancies Produced in Au+-Irradiated Nanocrystalline Cubic Zirconia

    SciTech Connect

    Edmondson, P. D.; Weber, William J.; Namavar, Fereydoon; Zhang, Yanwen

    2011-07-13

    The oxygen ion conductivity, attributed to an oxygen vacancy mechanism, of yttria-stabilized zirconia membranes used in solid oxide fuel cells is restricted due to trapping limitations. In this work, a high concentration of oxygen vacancies has been deliberately introduced into nanocrystalline stabilizer-free zirconia through ion-irradiation. Oxygen vacancies with different charge states can be produced by varying irradiation temperatures. Due to the reduced trapping sites and high oxygen vacancy concentration, this work suggests that the efficiency of solid oxide fuel cells can be improved.

  14. Manipulation of Single Oxygen Vacancies on TiO2(110)

    NASA Astrophysics Data System (ADS)

    Acharya, Danda; Sutter, Peter

    2009-03-01

    Oxygen vacancies are among the primary chemically active defects on the surface of reducible transition metal oxides, playing a key role in surface chemistry, catalysis, and photocatalysis. We report the controlled manipulation of individual O-vacancies on reduced TiO2(110)-1x1 using a low temperature scanning tunneling microscope. Localized voltage pulses trigger the hopping of single vacancies along a bridging oxygen (Obr) row. We discuss the microscopic manipulation mechanism and demonstrate atomic-scale control by constructing linear and more complex arrangements of vacancies. Single defect manipulation is used to probe the interaction of closely spaced vacancies, and to establish the possibility of forming highly reactive double and a triple O-vacancy clusters. Detailed experimental and theoretical analysis reveals that bridge-bonded O-vacancy pairs are stable and have lower energy than pairs of vacancies separated by two or more lattice spacings. The existence of stable vacancy pairs with exposed low-coordinated Ti atoms has implications on the reactivity of TiO2(110) and of similar metal oxide surfaces.

  15. Electronic properties and STM images of vacancy clusters and chains in functionalized silicene and germanene

    NASA Astrophysics Data System (ADS)

    Jamdagni, Pooja; Kumar, Ashok; Sharma, Munish; Thakur, Anil; Ahluwalia, P. K.

    2017-01-01

    Electronic properties and STM topographical images of X (=F, H, O) functionalized silicene and germanene have been investigated by introducing various kind of vacancy clusters and chain patterns in monolayers within density functional theory (DFT) framework. The relative ease of formation of vacancy clusters and chain patterns is found to be energetically most favorable in hydrogenated silicene and germanene. F- and H-functionalized silicene and germanene are direct bandgap semiconducting with bandgap ranging between 0.1-1.9 eV, while O-functionalized monolayers are metallic in nature. By introducing various vacancy clusters and chain patterns in both silicene and germanene, the electronic and magnetic properties get modified in significant manner e.g. F- and H-functionalized silicene and germanene with hexagonal and rectangle vacancy clusters are non-magnetic semiconductors with modified bandgap values while pentagonal and triangle vacancy clusters induce metallicity and magnetic character in monolayers; hexagonal vacancy chain patterns induce direct-to-indirect gap transition while zigzag vacancy chain patterns retain direct bandgap nature of monolayers. Calculated STM topographical images show distinctly different characteristics for various type of vacancy clusters and chain patterns which may be used as electronic fingerprints to identify various vacancy patterns in silicene and germanene created during the process of functionalization.

  16. Strain-tuning of vacancy-induced magnetism in graphene nanoribbons

    NASA Astrophysics Data System (ADS)

    Midtvedt, Daniel; Croy, Alexander

    2016-02-01

    Vacancies in graphene lead to the appearance of localized electronic states with non-vanishing spin moments. Using a mean-field Hubbard model and an effective double-quantum dot description we investigate the influence of strain on localization and magnetic properties of the vacancy-induced states in semiconducting armchair nanoribbons. We find that the exchange splitting of a single vacancy and the singlet-triplet splitting for two vacancies can be widely tuned by applying uniaxial strain, which is crucial for spintronic applications.

  17. Nitrogen-vacancy centres: New life for hard-disk write heads

    NASA Astrophysics Data System (ADS)

    Mamin, H. Jonathon

    2017-01-01

    Broadband nitrogen-vacancy centre magnetometry demonstrates how commercial hard-disk write heads may become useful experimental tools for nanoscale applications involving magnetism and magnetic resonance.

  18. Investigation of oxygen vacancy and photoluminescence in calcium tungstate nanophosphors with different particle sizes

    SciTech Connect

    Li, Yezhou; Wang, Zhaofeng; Sun, Luyi; Wang, Zhilong; Wang, Shiqin; Liu, Xiong; Wang, Yuhua

    2014-02-01

    Highlights: • CaWO{sub 4} nanophosphors with different particle sizes were prepared by hydrothermal processes through controlling the concentration of surfactant. • Green emission band of oxygen vacancy in CaWO{sub 4} nanophosphor was clearly observed upon the irradiation of 350 nm excitation. • The concentration of oxygen vacancy in CaWO{sub 4} nanophosphor could be increased by reducing its size. - Abstract: Calcium tungstate (CaWO{sub 4}) nanophosphors with the particle sizes from 35 to 90 nm were synthesized by a hydrothermal process through exactly controlling the pre-treated conditions. The influence of particle size on oxygen vacancy and photoluminescence properties in CaWO{sub 4} nanophosphors was investigated and discussed. The crystal structure of the CaWO{sub 4} nanophosphors presented a certain level of distortion due to the high concentration of oxygen vacancy. Under 350 nm excitation, a clear green emission aroused by oxygen vacancy was observed. The possible luminescence processes for the matrix and oxygen vacancy were proposed. The luminescence spectra of the nanophosphors revealed that the emission and absorption intensity aroused by oxygen vacancy were both enhanced when the size is decreased. On the basis of the above results, the essential relationship between particle size and oxygen vacancy in CaWO{sub 4} nanophosphors was concluded that the concentration of oxygen vacancy could be increased by reducing its size, which was further confirmed by decay lifetimes.

  19. Migration of defect clusters and xenon-vacancy clusters in uranium dioxide

    SciTech Connect

    Chen, Dong; Gao, Fei; Deng, Huiqiu; Hu, Wangyu; Sun, Xin

    2014-07-01

    The possible transition states, minimum energy paths and migration mechanisms of defect clusters and xenon-vacancy defect clusters in uranium dioxide have been investigated using the dimer and the nudged elastic-band methods. The nearby O atom can easily hop into the oxygen vacancy position by overcoming a small energy barrier, which is much lower than that for the migration of a uranium vacancy. A simulation for a vacancy cluster consisting of two oxygen vacancies reveals that the energy barrier of the divacancy migration tends to decrease with increasing the separation distance of divacancy. For an oxygen interstitial, the migration barrier for the hopping mechanism is almost three times larger than that for the exchange mechanism. Xe moving between two interstitial sites is unlikely a dominant migration mechanism considering the higher energy barrier. A net migration process of a Xe-vacancy pair containing an oxygen vacancy and a xenon interstitial is identified by the NEB method. We expect the oxygen vacancy-assisted migration mechanism to possibly lead to a long distance migration of the Xe interstitials in UO2. The migration of defect clusters involving Xe substitution indicates that Xe atom migrating away from the uranium vacancy site is difficult.

  20. Oxygen vacancy migration in ceria and Pr-doped ceria: a DFT+U study.

    PubMed

    Dholabhai, Pratik P; Adams, James B; Crozier, Peter; Sharma, Renu

    2010-03-07

    Oxygen vacancy formation and migration in ceria (CeO(2)) is central to its performance as an ionic conductor. It has been observed that ceria doped with suitable aliovalent cationic dopants improves its ionic conductivity. To investigate this phenomenon, we present total energy calculations within the framework of density functional theory to study oxygen vacancy migration in ceria and Pr-doped ceria (PDC). We report activation energies for oxygen vacancy formation and migration in undoped ceria and for different migration pathways in PDC. The activation energy value for oxygen vacancy migration in undoped ceria was found to be in reasonable agreement with the available experimental and theoretical results. Conductivity values for reduced undoped ceria calculated using theoretical activation energy and attempt frequency were found in reasonably good agreement with the experimental data. For PDC, oxygen vacancy formation and migration were investigated at first, second, and third nearest neighbor positions to a Pr ion. The second nearest neighbor site is found to be the most favorable vacancy formation site. Vacancy migration between first, second, and third nearest neighbors was calculated (nine possible jumps), with activation energies ranging from 0.41 to 0.78 eV for first-nearest-neighbor jumps. Overall, the presence of Pr significantly affects vacancy formation and migration, in a complex manner requiring the investigation of many different migration events. We propose a relationship illuminating the role of additional dopants toward lowering the activation energy for vacancy migration in PDC.

  1. Role of exchange interaction in nitrogen vacancy center based magnetometry

    NASA Astrophysics Data System (ADS)

    Ho, Cong Son; Tan, Seng Ghee; Jalil, Mansoor B. A.; Chen, Zilong; Krivitsky, Leonid A.

    2016-12-01

    We propose a multilayer device comprising a thin-film-based ferromagnetic heterostructure (FMH) deposited on a diamond layer doped with nitrogen vacancy centers (NVC's). We find that when the NVC's are in close proximity (1-2 nm) to the FMH, the exchange energy is comparable to, and may even surpass, the magnetostatic interaction energy. This calls forth the need to consider and utilize both effects in magnetometry based on NVC's in diamond. As the distance between the FMH and NVC is decreased to the subnanometer scale, the exponential increase in the exchange energy suggests spintronic applications of NVC's beyond magnetometry, such as detection of spin Hall effect or spin currents.

  2. 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.

  3. 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.

  4. 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.

  5. Knight shifts around vacancies in the 2D Heisenberg model.

    PubMed

    Anfuso, Fabrizio; Eggert, Sebastian

    2006-01-13

    The local response to a uniform field around vacancies in the two-dimensional spin-1/2 Heisenberg antiferromagnet is determined by numerical quantum Monte Carlo simulations as a function of temperature. It is possible to separate the Knight shifts into uniform and staggered contributions on the lattice which are analyzed and understood in detail. The contributions show interesting long- and short-range behavior that may be of relevance in NMR and susceptibility measurements. For more than one impurity, remarkable nonlinear enhancement and cancellation effects take place. We predict that the Curie impurity susceptibility will be observable for a random impurity concentration even in the thermodynamic limit.

  6. 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.

  7. The body size dependence of trophic cascades.

    PubMed

    DeLong, John P; Gilbert, Benjamin; Shurin, Jonathan B; Savage, Van M; Barton, Brandon T; Clements, Christopher F; Dell, Anthony I; Greig, Hamish S; Harley, Christopher D G; Kratina, Pavel; McCann, Kevin S; Tunney, Tyler D; Vasseur, David A; O'Connor, Mary I

    2015-03-01

    Trophic cascades are indirect positive effects of predators on resources via control of intermediate consumers. Larger-bodied predators appear to induce stronger trophic cascades (a greater rebound of resource density toward carrying capacity), but how this happens is unknown because we lack a clear depiction of how the strength of trophic cascades is determined. Using consumer resource models, we first show that the strength of a trophic cascade has an upper limit set by the interaction strength between the basal trophic group and its consumer and that this limit is approached as the interaction strength between the consumer and its predator increases. We then express the strength of a trophic cascade explicitly in terms of predator body size and use two independent parameter sets to calculate how the strength of a trophic cascade depends on predator size. Both parameter sets predict a positive effect of predator size on the strength of a trophic cascade, driven mostly by the body size dependence of the interaction strength between the first two trophic levels. Our results support previous empirical findings and suggest that the loss of larger predators will have greater consequences on trophic control and biomass structure in food webs than the loss of smaller predators.

  8. Oxygen-vacancy driven tunnelling spintronics across MgO

    NASA Astrophysics Data System (ADS)

    Halisdemir, U.; Schleicher, F.; Kim, D. J.; Taudul, B.; Lacour, D.; Choi, W. S.; Gallart, M.; Boukari, S.; Schmerber, G.; Davesne, V.; Panissod, P.; Halley, D.; Majjad, H.; Henry, Y.; Leconte, B.; Boulard, A.; Spor, D.; Beyer, N.; Kieber, C.; Sternitzky, E.; Cregut, O.; Ziegler, M.; Montaigne, F.; Arabski, J.; Beaurepaire, E.; Jo, W.; Alouani, M.; Gilliot, P.; Hehn, M.; Bowen, M.

    2016-10-01

    The conservation of an electron's spin and symmetry as it undergoes solid-state tunnelling within magnetic tunnel junctions (MTJs) is thought to be best understood using MgO-based MTJs1. Yet the very large experimental values of tunnelling magnetoresistance (TMR) that justify this perception are often associated with tunnelling barrier heights well below those suggested by the MgO optical band gap. This combination of high TMR and low RA-product, while spawning spin-transfer/spin-orbit torque experiments and considerable industrial interest, cannot be explained by standard theory. Noting the impact of a tunnel barrier's altered stoichiometry on TMR2, we reconcile this 10+year-old contradiction between theory and experiment by considering the impact of the MgO barrier's structural defects3-5. We find that the ground and excited states of oxygen vacancies can promote localized states within the band gap with differing electronic character. By setting symmetry- and temperature-dependent tunnelling barrier heights, they alter symmetry-polarized tunnelling and thus TMR. We will examine how annealing, depending on MgO growth conditions, can alter the nature of these localized states. This oxygen vacancy paradigm of inorganic tunnelling spintronics opens interesting perspectives into endowing the MTJ with additional functionalities, such as optically manipulating the MTJ's spintronic response.

  9. Surface effects on nitrogen vacancy centers neutralization in diamond

    NASA Astrophysics Data System (ADS)

    Newell, Arthur N.; Dowdell, Dontray A.; Santamore, D. H.

    2016-11-01

    The performance of nitrogen vacancy (NV-) based magnetic sensors strongly depends on the stability of nitrogen vacancy centers near the diamond surface. The sensitivity of magnetic field detection is diminished as the NV- turns into the neutralized charge state NV0. We investigate the neutralization of NV- and calculate the ratio of NV0 to total NV (NV-+NV0) caused by a hydrogen terminated diamond with a surface water layer. We find that NV- neutralization exhibits two distinct regions: near the surface, where the NV- is completely neutralized, and in the bulk, where the neutralization ratio is inversely proportional to depth following the electrostatic force law. In addition, small changes in concentration can lead to large differences in neutralization behavior. This phenomenon allows one to carefully control the concentration to decrease the NV- neutralization. The presence of nitrogen dopant greatly reduces NV- neutralization as the nitrogen ionizes in preference to NV- neutralization at the same depth. The water layer pH also affects neutralization. If the pH is very low due to cleaning agent residue, then we see a change in the band bending and the reduction of the two-dimensional hole gas region. Finally, we find that dissolved carbon dioxide resulting from direct contact with the atmosphere at room temperature hardly affects the NV- neutralization.

  10. Electrical conductivity of diopside: evidence for oxygen vacancies

    USGS Publications Warehouse

    Huebner, J.S.; Voigt, D.E.

    1988-01-01

    Impedance spectra for two natural single crystals of diopside were obtained at 800 to 1300??C and 1-bar pressure over the frequency range 0.001 Hz to 100 kHz in a system closed to all components but oxygen. At both higher and lower fO2 values, no fO2 dependence of conductivity was observed, indicating the presence of different conduction mechanisms. At temperatures less than 1000??C, the activation energy is 1.3 eV, also suggesting a different conduction mechanism. Thus, at least four regimes are necessary to describe the conductivity of this diopside in T-fO2 space. The approximately -1/(7 ?? 1) value of d(log ??)/d(log fO2) in a high-temperature geologic region suggests a reaction by which oxygen vacancies control the conductivity. This relatively pure diopside is much less conducting than olivine or orthopyroxene. A second diopside with greater Fe content but otherwise similar in composition to the near-end-member diopside, is more conducting, has a smaller activation energy (1.0 eV) over the range 1050 to 1225??C, and shows only a weak negative fO2 dependence; suggesting that oxygen vacancies are present but are not the dominant defect in controlling the conductivity. -from Authors

  11. Photon induced L3 vacancy alignment at tuned photon energies

    NASA Astrophysics Data System (ADS)

    Bansal, Himani; Kaur, Gurpreet; Tiwari, Manoj K.; Mittal, Raj

    2016-04-01

    Photon induced L3 X-ray measurements for Lα/Lℓ cross-section ratios in elements, 66 ⩽ Z ⩽ 83, at tuned photon energies on synchrotron Beamline-16 at Indus-2, India have been used to study the effect of Coster-Kronig (CK) transitions and photon energies on alignment of L3 vacancies. Certainty and reliability of the measurements were checked from comparison of measured Lα and Lℓ fluorescence cross-sections at E1 excitation with available theoretical/empirical/experimental values that required additional measurements for source, geometry and efficiency factor S0GɛLα/ℓ in the used set-up. Fall/rise trend of the ratios with energy for different Z's was found to resemble the off/on-set pattern of CK transitions as pointed out by Bambynek et al. and Campbell. Evaluated alignment parameter A2 values are very much within the limits, 0.05 vacancies only in L3 are aligned (A2 ≦ 0.2) in all the cases. The pattern of A'2 (Coster-Kronig corrected A2) variation with energy for Dy, W, Pt, Hg and Bi resembles our previously reported theoretical patterns that lends mutual support for both current measurements and earlier theoretical results.

  12. Living With Volcanic Risk in the Cascades

    USGS Publications Warehouse

    Dzurisin, Daniel; Stauffer, Peter H.; Hendley, James W.

    1997-01-01

    The Cascade Range of the Pacific Northwest has more than a dozen potentially active volcanoes. Cascade volcanoes tend to erupt explosively, and on average two eruptions occur per century?the most recent were at Mount St. Helens, Washington (1980?86 and 2004?8), and Lassen Peak, California (1914?17). To help protect the Pacific Northwest?s rapidly expanding population, USGS scientists at the Cascades Volcano Observatory in Vancouver, Washington, monitor and assess the hazards posed by the region?s volcanoes.

  13. 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.

  14. 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.

  15. Nonlocal effects and countermeasures in cascading failures.

    PubMed

    Witthaut, Dirk; Timme, Marc

    2015-09-01

    We study the propagation of cascading failures in complex supply networks with a focus on nonlocal effects occurring far away from the initial failure. It is shown that a high clustering and a small average path length of a network generally suppress nonlocal overloads. These properties are typical for many real-world networks, often called small-world networks, such that cascades propagate mostly locally in these networks. Furthermore, we analyze the spatial aspects of countermeasures based on the intentional removal of additional edges. Nonlocal actions are generally required in networks that have a low redundancy and are thus especially vulnerable to cascades.

  16. 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.

  17. Calculations of the Probability of Positron Trapping by a Vacancy in a Metal and the Estimation of the Vacancy Contribution to the Work Function of Electrons and Positrons

    NASA Astrophysics Data System (ADS)

    Babich, A. V.; Pogosov, V. V.; Reva, V. I.

    2016-03-01

    The probabilities of the localization of positrons in monovacancies of Al and Cu have been calculated as functions of the energy and temperature. The vacancy was simulated by a void with a radius equal to the radius of the Wigner—Seitz cell in the model of stable jellium. Using the Fermi—Dirac golden rule for transitions, the formula for the rate of positron trapping by a vacancy has been derived as the function of the positron energy. For the thermalized positrons, the rate of localization near the triple point proved to be, on the order of magnitude, close to the rate of annihilation. Within the framework of our previously proposed models, the contribution of vacancies to the work function of electrons and positrons has been demonstrated based on the example of Al. The physical situations where the vacancy effect can manifest have been considered.

  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. Cascading blockages in channel bundles.

    PubMed

    Barré, C; Talbot, J

    2015-11-01

    Flow in channel networks may involve a redistribution of flux following the blockage or failure of an individual link. Here we consider a simplified model consisting of N(c) parallel channels conveying a particulate flux. Particles enter these channels according to a homogeneous Poisson process and an individual channel blocks if more than N particles are simultaneously present. The behavior of the composite system depends strongly on how the flux of entering particles is redistributed following a blockage. We consider two cases. In the first, the intensity on each open channel remains constant while in the second the total intensity is evenly redistributed over the open channels. We obtain exact results for arbitrary N(c) and N for a system of independent channels and for arbitrary N(c) and N=1 for coupled channels. For N>1 we present approximate analytical as well as numerical results. Independent channels block at a decreasing rate due to a simple combinatorial effect, while for coupled channels the interval between successive blockages remains constant for N=1 but decreases for N>1. This accelerating cascade is due to the nonlinear dependence of the mean blocking time of a single channel on the entering particle flux that more than compensates for the decrease in the number of active channels.

  20. Cascading blockages in channel bundles

    NASA Astrophysics Data System (ADS)

    Barré, C.; Talbot, J.

    2015-11-01

    Flow in channel networks may involve a redistribution of flux following the blockage or failure of an individual link. Here we consider a simplified model consisting of Nc parallel channels conveying a particulate flux. Particles enter these channels according to a homogeneous Poisson process and an individual channel blocks if more than N particles are simultaneously present. The behavior of the composite system depends strongly on how the flux of entering particles is redistributed following a blockage. We consider two cases. In the first, the intensity on each open channel remains constant while in the second the total intensity is evenly redistributed over the open channels. We obtain exact results for arbitrary Nc and N for a system of independent channels and for arbitrary Nc and N =1 for coupled channels. For N >1 we present approximate analytical as well as numerical results. Independent channels block at a decreasing rate due to a simple combinatorial effect, while for coupled channels the interval between successive blockages remains constant for N =1 but decreases for N >1 . This accelerating cascade is due to the nonlinear dependence of the mean blocking time of a single channel on the entering particle flux that more than compensates for the decrease in the number of active channels.

  1. 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.

  2. 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.

  3. Thermodynamics, structure, and charge state of hydrogen-vacancy complexes in δ-plutonium

    NASA Astrophysics Data System (ADS)

    Taylor, Christopher D.; Francis, Michael F.; Schwartz, Daniel S.

    2014-06-01

    Hydrogen-vacancy complexes can form in a material due to the exothermic binding of hydrogen atoms to vacancy sites. We explore the structure and electronic properties of hydrogen-vacancy complexes in δ-Pu using a density functional theory supercell approach, with up to eight hydrogen atoms stored in the vacancy site. We find that the hydrogen atoms bind to the inner edge of the vacancy site, preferring pseudo-octahedral configurations that optimize the Pu-H bond length. Hydrogen binding to the vacancy site remains exothermic, with binding energies around -0.4 eV/H atom. A statistical mechanics analysis is derived and applied to reveal the range of hydrogen chemical potentials that would lead to hydrogen-vacancy complex formation. We find that these chemical potentials are higher than those required to form the hydride phase, indicating that hydriding should occur before any appreciable concentration of vacancy-hydrogen complexes is realized. Some remarks are made comparing this theoretical finding to the experimental work on this topic, with suggestions given for future work that may help reconcile some apparent contradictions.

  4. Metallic filament formation by aligned oxygen vacancies in ZnO-based resistive switches

    SciTech Connect

    Gu, Tingkun

    2014-05-28

    The electronic structure of ZnO with defects of oxygen vacancies were investigated by using first-principles methods. Some structure models were constructed in order to investigate the effects of the distribution of oxygen vacancies on the electronic properties of ZnO. By analyzing the calculated results, we found that only the aligned oxygen vacancies can form the conducting channel in ZnO, and the transformation of the oxygen vacancy from charged state to neutral state is consistent with the energetics rule of the forming aligned oxygen vacancies. As for the heterojunction of Pt/ZnO/Pt, the oxygen vacancies near the interface of Pt/ZnO depress the local Schottky barrier effectively, and the aligned oxygen vacancies in ZnO form a conducting filament connecting two Pt electrodes. The metallic filament formation in Pt/ZnO/Pt resistive switching cells should be closely related to the carrier injection from Pt electrode into ZnO and the arrangement of oxygen vacancies in ZnO slab.

  5. Vacancies in a 3D-Kitaev model on hyper-honeycomb lattice

    NASA Astrophysics Data System (ADS)

    Sreejith, G. J.; Bhattacharjee, Subhro; Moessner, Roderich

    We study the properties of isolated single and pairs of vacancies in an exactly solvable Kitaev model on a three dimensional hyper-honeycomb lattice. We show that each vacancy in the lattice is associated with a low energy spin like degree of freedom, similar to the case of previously studied honeycomb model. We calculate the contribution from these vacancy spin-moments to the low field magnetization response to a z-directed field. Isolated vacancies in the gapped phase act as free spins. In the gapless phase, these spins interact with the surrounding spin-liquid suppressing the low-field magnetization to 1/√{ ln [ 1 /hz ] }. Pair of vacancies have a sublattice-dependent, anisotropic, spin-liquid mediated interaction with each other. In the gapless phase, interaction between vacancies in the same (opposite) sublattice enhances (suppresses) the low-field magnetization, indicating a ferromagnetic (anti-ferromagnetic) nature. We also show that, unlike vacancies in the honeycomb lattice, the vacancies here do not bind a flux at low-energies.

  6. Numerical Modeling of the Stability of Face-Centered Cubic Metals with High Vacancy Concentration

    SciTech Connect

    Brian P. Somerday; M. I. Baskes

    1998-12-01

    The objective of this research is to assess the possibility of forming an atomically porous structure in a low-density metal, e.g., Al with vacancies up to 0.20/lattice site; and to examine the effects of hydrogen and vacancy concentration on the stability of an atomically porous structure that has been experimentally produced in nickel. The approach involves numerical modeling using the Embedded-Atom Method (EAM). High vacancy concentrations cause the Al lattice to disorder at 300K. In contrast, Ni retains the face-centered-cubic structure at 300K for vacancy concentrations up to 0.15 Vac/lattice site. Unexpectedly, the lattice with 0.15 Vac/lattice site is more stable than the lattice with 0.10 or 0.20 Vac/lattice site. The Ni systems with 0.10 and 0.15 Vac/lattice site exhibit domains consisting of uniform lattice rotations. The Ni lattice with 0.15 Vac/lattice site is more stable with an initial distribution of random vacancies compared to ordered vacancies. The equilibrium lattice structures of Ni a d Al containing vacancies and H are less ordered to structures with vacancies only at 300K.

  7. Ab initio prediction of vacancy properties in concentrated alloys: The case of fcc Cu-Ni

    NASA Astrophysics Data System (ADS)

    Zhang, Xi; Sluiter, Marcel H. F.

    2015-05-01

    Vacancy properties in concentrated alloys continue to be of great interest because nowadays ab initio supercell simulations reach a scale where even defect properties in disordered alloys appear to be within reach. We show that vacancy properties cannot generally be extracted from supercell total energies in a consistent manner without a statistical model. Essential features of such a model are knowledge of the chemical potential and imposition of invariants. In the present work, we derive the simplest model that satisfies these requirements and we compare it with models in the literature. As illustration we compute ab initio vacancy properties of fcc Cu-Ni alloys as a function of composition and temperature. Ab initio density functional calculations were performed for SQS supercells at various compositions with and without vacancies. Various methods of extracting alloy vacancy properties were examined. A ternary cluster expansion yielded effective cluster interactions (ECIs) for the Cu-Ni-Vac system. Composition and temperature dependent alloy vacancy concentrations were obtained using statistical thermodynamic models with the ab initio ECIs. An Arrhenius analysis showed that the heat of vacancy formation was well represented by a linear function of temperature. The positive slope of the temperature dependence implies a negative configurational entropy contribution to the vacancy formation free energy in the alloy. These findings can be understood by considering local coordination effects.

  8. Detection of Ga vacancies in electron irradiated GaAs by positrons

    SciTech Connect

    Hautojaervi, P.; Moser, P.; Stucky, M.; Corbel, C.; Plazaola, F.

    1986-03-24

    Positron lifetime measurements have been used to study the recovery of electron irradiated GaAs between 77 and 800 K. Below room temperature positrons are trapped by vacancies in Ga sublattices. The Ga vacancies recover between 200 and 350 K.

  9. Charged vacancy diffusion in chromium oxide crystal: DFT and DFT+U predictions

    NASA Astrophysics Data System (ADS)

    Gray, Corinne; Lei, Yinkai; Wang, Guofeng

    2016-12-01

    In this work, we computationally studied the lattice diffusion through the ion-vacancy exchange mechanism in α-Cr2O3 crystal using the first-principles density functional theory (DFT) and DFT+U calculation methods. For both O and Cr vacancies, we have identified four elementary diffusion paths in α-Cr2O3 crystal. Our DFT+U calculations predict that the O vacancy with charge +2 ( VO2 + ) is stable when Fermi energy is near to valence band maximum, whereas the Cr vacancy with charge -3 ( VCr 3 - ) is stable when Fermi energy is close to conduction band minimum. Moreover, the DFT+U calculations predict that the migration energy for VO2 + diffusion varies from 1.18 to 2.98 eV, whereas that for VCr 3 - diffusion varies from 2.02 to 2.59 eV, close to experimental data. Both DFT and DFT+U results indicate that the migration energy of neutral vacancies ( VO0 and VCr 0 ) is higher than that of the charged vacancies ( VO2 + and VCr 3 - ) along any diffusive path. Importantly, it is found that the DFT+U method describes α-Cr2O3 crystal better in terms of the magnetism, band gap, charge state of vacancies, and migration energies for charged vacancy diffusion as compared to the DFT method.

  10. 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.

  11. 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.

  12. 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.

  13. On Asymmetric Classifier Training for Detector Cascades

    SciTech Connect

    Gee, Timothy Felix

    2006-01-01

    This paper examines the Asymmetric AdaBoost algorithm introduced by Viola and Jones for cascaded face detection. The Viola and Jones face detector uses cascaded classifiers to successively filter, or reject, non-faces. In this approach most non-faces are easily rejected by the earlier classifiers in the cascade, thus reducing the overall number of computations. This requires earlier cascade classifiers to very seldomly reject true instances of faces. To reflect this training goal, Viola and Jones introduce a weighting parameter for AdaBoost iterations and show it enforces a desirable bound. During their implementation, a modification to the proposed weighting was introduced, while enforcing the same bound. The goal of this paper is to examine their asymmetric weighting by putting AdaBoost in the form of Additive Regression as was done by Friedman, Hastie, and Tibshirani. The author believes this helps to explain the approach and adds another connection between AdaBoost and Additive Regression.

  14. Secondary factors influencing cascade damage formation

    NASA Astrophysics Data System (ADS)

    Stoller, Roger E.; Guiriec, Sylvain G.

    2004-08-01

    Primary cascade damage production in iron has been extensively investigated by molecular dynamics, and the average defect production as a function of cascade energy and temperature is well characterized. However, preliminary results indicate several factors alter `normal' cascade evolution, leading to quite different defect production behavior. Further investigation of three such factors has been carried out: (1) primary knock-on atom (PKA) direction, (2) nearby free surfaces, and (3) pre-existing effects. Results of the investigation confirm these factors significantly impact damage production. Effects include: enhanced defect survival for PKA directions lying in close-packed {1 1 0} planes, increased point defect clustering and larger defect clusters in cascades initiated near a surface, and reduced defect survival in material containing defects. The origin and implications of these effects are discussed relative to the interpretation of certain experimental observations and parameters used in other modeling studies.

  15. Spatial filtering by using cascading plasmonic gratings.

    PubMed

    Wang, Chih-Ming; Chang, Yia-Chung; Tsai, Din Ping

    2009-04-13

    In this study, the optical properties of a plasmonic multilayer structure, consisting of two longitudinally cascaded gratings with a half pitch off-set, are investigated. The proposed structure, which is a system mixing extended and localized surface plasmon, forms transversely cascaded metal/insulator/metal cavities. The angle dependent reflection spectrum of the proposed structure displays a resonance peak at a specific angle. The full-width at half maximum (FWHM) of the resonant peak is smaller than 3 degrees. The angular dispersion of the cascading plasmonic gratings is about d theta/d lambda =0.15 degrees/nm. The cascading plasmonic gratings can be used as a spatial filter to improve the spatial coherence of a light source.

  16. 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.

  17. Coloration and oxygen vacancies in wide band gap oxide semiconductors: Absorption at metallic nanoparticles induced by vacancy clustering—A case study on indium oxide

    SciTech Connect

    Albrecht, M. Schewski, R.; Irmscher, K.; Galazka, Z.; Markurt, T.; Naumann, M.; Schulz, T.; Uecker, R.; Fornari, R.; Meuret, S.; Kociak, M.

    2014-02-07

    In this paper, we show by optical and electron microscopy based investigations that vacancies in oxides may cluster and form metallic nanoparticles that induce coloration by extinction of visible light. Optical extinction in this case is caused by generation of localized surface plasmon resonances at metallic particles embedded in the dielectric matrix. Based on Mie's approach, we are able to fit the absorption due to indium nanoparticles in In{sub 2}O{sub 3} to our absorption measurements. The experimentally found particle distribution is in excellent agreement with the one obtained from fitting by Mie theory. Indium particles are formed by precipitation of oxygen vacancies. From basic thermodynamic consideration and assuming theoretically calculated activation energies for vacancy formation and migration, we find that the majority of oxygen vacancies form just below the melting point. Since they are ionized at this temperature they are Coulomb repulsive. Upon cooling, a high supersaturation of oxygen vacancies forms in the crystal that precipitates once the Fermi level crosses the transition energy level from the charged to the neutral charge state. From our considerations we find that the ionization energy of the oxygen vacancy must be higher than 200 meV.

  18. Innovation cascades: artefacts, organization and attributions

    PubMed Central

    2016-01-01

    Innovation cascades inextricably link the introduction of new artefacts, transformations in social organization, and the emergence of new functionalities and new needs. This paper describes a positive feedback dynamic, exaptive bootstrapping, through which these cascades proceed, and the characteristics of the relationships in which the new attributions that drive this dynamic are generated. It concludes by arguing that the exaptive bootstrapping dynamic is the principal driver of our current Innovation Society. PMID:26926284

  19. Cascaded Second-Order Nonlinearities in Waveguides.

    NASA Astrophysics Data System (ADS)

    Sundheimer, Michael Lee

    The cascaded second-order nonlinearity arising from the second-harmonic generation process in noncentrosymmetric media is a novel approach to achieving the nonlinear phase shifts required for all-optical signal processing. The research presented in this dissertation demonstrated and measured the cascaded second-order nonlinearity for the first time in viable integrated optical waveguide formats. Cascaded self-phase modulation was measured in potassium titanyl phosphate (KTiOPO_4 or KTP) segmented quasi-phasematched waveguides at wavelengths near 855 nm and in the optical fiber telecommunications window near 1.585 μm using picosecond and femtosecond pulses, respectively. Spectral modulation and broadening were observed on the output fundamental spectrum and compared to predictions from pulsed second -harmonic generation theory under conditions of group-velocity mismatch (temporal walk-off) and group-velocity dispersion. Peak cascaded phase shifts of the fundamental of approximately pi at 855 nm were inferred with 690 W of peak guided power. Peak cascaded phase shifts of approximately pi/2 were inferred at 1.585 μm with 760 W of peak power in the guide. Direct interferometric measurements of the magnitude and sign of the cascaded nonlinear phase shift of the fundamental were performed in temperature-tuned lithium niobate (LiNbO _3) channel waveguides at 1.32 mum. The cascaded phase shift was shown to change sign upon passing through the phasematching condition, as required by theory. Peak cascaded phase shifts of +0.53 pi and -0.13 pi were measured for 86 W peak power in these waveguides. A non-uniform temperature profile along the waveguide led to a non-uniform wavevector-mismatch along the guide, resulting in an enhanced positive phase shift and an increased temperature bandwidth for the phase shift. The phase shifts achieved in this research are large enough to be suitable for some all-optical signal processing functions.

  20. Supersonic Chordwise Bending Flutter in Cascades

    DTIC Science & Technology

    1975-05-31

    such a flutter boundary can be made by utilizing the trend lines predicted from a supersonic analysis based on supersonic cascade theory (Appendix I...bonding agent was injected via hypodermic needles after the blade tabs were properly inserted, The integrity and repeatability of the mounting of the indi...in conjunction with NASTRAN predictions and supersonic cascade aerodynamic computa- tions. Comparisons between theory and experiment are discussed. DD