Science.gov

Sample records for 5f electron behavior

  1. 5f band dispersion in the highly correlated electronic structure of uranium compounds

    NASA Astrophysics Data System (ADS)

    Moore, D. P.; Joyce, J. J.; Arko, A. J.; Morales, L.; Sarrao, J.

    2000-07-01

    Despite the fact that the 5f shell of the light actinides is less than half filled, the relatively short radial extent of 5f-electron wave functions yields at most minimal f-f overlap (the critical actinide-actinide spacing for which f-f overlap is no longer viable was first quantified by H. Hill and found to be 3.4 Å. The spacing for both USb2 and UAsSe is about 4.5. Å) and results in a myriad of phenomena collectively called correlated electron behavior. We present data from angle resolved photoemission studies of USb2 and UAsSe on correlated electron behavior.

  2. Magnetic properties of actinide elements having the 5f/sup 6/ and 5f/sup 7/ electronic configurations

    SciTech Connect

    Nave, S.E.; Haire, R.G.; Huray, P.G.

    1983-09-01

    Magnetic susceptibility measurements have been made on multimicrogram quantities of /sup 243/AmF/sub 3/, /sup 248/CmF/sub 4/, /sup 248/CmO/sub 2/, and /sup 248/CmBaO/sub 3/ samples (nominally the 5f/sup 6/ electronic configuration) and on /sup 248/Cm/sub 2/O/sub 3/, /sup 248/CmF/sub 3/, /sup 249/BkF/sub 4/, and /sup 249/BkO/sub 2/ (nominally the 5f/sup 7/ electronic configuration) in the temperature range 4.2--300 K and in magnetic fields up to 1650 G. The experimentally determined effective magnetic moments and the Curie-Weiss constants for these compounds are presented. The deviation of the moments for the 5f/sup 6/ compounds from those expected from classic theory is discussed in terms of low-lying excited states, chemical composition, crystal-field perturbations, and realistic electronic structure.

  3. Effects of 5f-elements on electronic structures and spectroscopic properties of gold superatom model

    NASA Astrophysics Data System (ADS)

    Gao, Yang; Wang, Zhigang

    2016-08-01

    5f-elements encaged in a gold superatomic cluster are capable of giving rise to unique optical properties due to their hyperactive valence electrons and great radial components of 5f/6d orbitals. Herein, we review our first-principles studies on electronic structures and spectroscopic properties of a series of actinide-embedded gold superatomic clusters with different dimensions. The three-dimensional (3D) and two-dimensional (2D) superatom clusters possess the 18-electron configuration of 1S21P61D10 and 10-electron configuration of 1S21P41D4, respectively. Importantly, their electronic absorption spectra can also be effectively explained by the superatom orbitals. Specifically, the charge transfer (CT) transitions involved in surface-enhance Raman spectroscopy (SERS) spectra for 3D and 2D structures are both from the filled 1D orbitals, providing the enhancement factors of the order of ˜ 104 at 488 nm and ˜ 105 at 456 nm, respectively. This work implies that the superatomic orbital transitions involved in 5f-elements can not only lead to a remarkable spectroscopic performance, but also a new direction for optical design in the future. Project supported by the National Natural Science Foundation of China (Grant No. 11374004), the Science and Technology Development Program of Jilin Province, China (Grant No. 20150519021JH), the Fok Ying Tung Education Foundation, China (Grant No. 142001), and the Support from the High Performance Computing Center (HPCC) of Jilin University, China.

  4. Probing ultrafast dynamics of 5f electrons in crystalline UO2

    SciTech Connect

    An, Yong Q; Taylor, Antoinette J; Durakiewicz, Tomasz; Rodriguez, George

    2010-01-01

    The electronic structure and ultrafast dynamics of photoexcited carriers of Mott insulators attracts considerable attention in modern condensed matter physics. Cubic structured UO{sub 2} is a model system for understanding the physics of strongly correlated electrons in Mott insulators. Its 5f electrons may produce special electronic states and dynamics because of their complex nature. It shows an anti ferromagnetic transition at T{sub N} = 30.8 K. Several recent theoretical works have predicted the ground states and Mott characteristics of crystalline UO{sub 2}. It is believed that the band gap of UO{sub 2} is on the order of {approx} 2 eV and excitations across the gap are of the f-f character. We have performed ultrafast optical studies of carrier dynamics related to the Mott gap and its Hubbard bands with femtosecond pump-probe transient reflection measurements. From pump-probe reflectance measurements, we find the lifetimes of photoexcited 5f electrons in crystalline UO{sub 2}, {approx} 1.2 ns for midgap states and {approx} 2 {mu}s for upper Hubbard band states at low temperatures, and identify magnetic transitions.

  5. Electron correlation and relativity of the 5f electrons in the U-Zr alloy system

    NASA Astrophysics Data System (ADS)

    Söderlind, P.; Sadigh, B.; Lordi, V.; Landa, A.; Turchi, P. E. A.

    2014-01-01

    ] and VASP [4] codes. The Wien2K computations are set up with an APW + lo basis for the expansion of the wave functions within the muffin-tin spheres (with radius RMT = 2.5 a.u.) in partial waves with angular momenta up to l = 3, and an LAPW basis for all higher angular momenta up to l = 10. The plane-wave cutoff (Kmax) for the expansion of the wave functions in the interstitial region is chosen such that RMT × Kmax = 10. We apply the LSDA + U scheme proposed by Anisimov et al. [5] (Wien2K) and Dudarev et al. [6] (VASP) to the uranium f orbitals, which approximately corrects for their electron self interaction. An effective Ueff = U - J is chosen to be 2 eV (J = 0), which appears to be realistic for uranium systems [7]. The spin-orbit interaction is included using the second-variation method with scalar-relativistic orbitals as basis. This basis includes all Eigen states with energy less than 70 eV. For reason to improve the description of the relativistic orbitals, the p1/2 local orbitals are added to the basis set. For actinide metals, this technique for the spin-orbit coupling equals, with good approximation, that of the complete four-spinor Dirac formalism [8-10]. All calculations use a 12 × 12 × 12 Monkhorst-Pack k-point grid and a plane-wave cutoff of 23 Ry.In Table 1 we show our calculated equilibrium volumes (V) and bulk moduli (B) obtained with and without spin-orbit coupling (SOC) for bcc (γ) uranium metal using the Wien2K (VASP) codes. (The other component, Zr, is a light metal where relativistic effects are not important). The changes in V and B due to SOC are indeed quite small, consistent with results from previous studies [9,11], and within the scatter of the experimental data. The reason why the volume expands slightly is that the separation of the 5f5/2 and 5f7/2 states, due to spin-orbit coupling, weakens the cohesion of the bonding electrons. The separation is very small, as seen in Fig. 1[11] where we plot the total electronic density

  6. Electron Attachment and Detachment, and the Electron Affinities of C(5)F(5)N and C(5)HF(4)N

    DTIC Science & Technology

    2005-09-19

    detachment rate at 303 K was 520 ± 180 s-1. The attachment/detachment equilibrium yielded experimental electron affinities EA(CsF 5N) = 0.70-0.05 eV and EA...are in good agreement with the present experimental results. 15. SUBJECT TERMS Electron attachment Electron affinity Electron detachment Rate constant...attachment/detachment equilibrium yielded experimental electron affinities EA(C5F5 N)=0.70±0.05 eV and EA(2,3,5,6-C5HF 4N)=0.40±0.08 eV. Electronic

  7. Electron attachment and detachment, and the electron affinities of C5F5N and C5HF4N

    NASA Astrophysics Data System (ADS)

    Van Doren, Jane M.; Kerr, Donna M.; Miller, Thomas M.; Viggiano, A. A.

    2005-09-01

    Rate constants have been measured for electron attachment to C5F5N (297-433K) and to 2,3,5,6-C5HF4N (303K) using a flowing-afterglow Langmuir-probe apparatus (at a He gas pressure of 133Pa). In both cases only the parent anion was formed in the attachment process. The attachment rate constants measured at room temperature are 1.8±0.5×10-7 and 7±3×10-10cm-3s-1, respectively. Rate constants were also measured for thermal electron detachment from the parent anions of these molecules. For C5F5N- detachment is negligible at room temperature, but increases to 2530±890s-1 at 433K. For 2,3,5,6-C5HF4N-, the detachment rate at 303K was 520±180s-1. The attachment/detachment equilibrium yielded experimental electron affinities EA(C5F5N )=0.70±0.05eV and EA(2,3,5,6-C5HF4N )=0.40±0.08eV. Electronic structure calculations were carried out for these molecules and related C5HxF5-xN using density-functional theory and the G3(MP2)‖B3LYP compound method. The EAs are found to decrease by 0.25eV, on average, with each F substitution by H. The calculated EAs are in good agreement with the present experimental results.

  8. Electron attachment and detachment, and the electron affinities of C5F5N and C5HF4N.

    PubMed

    Van Doren, Jane M; Kerr, Donna M; Miller, Thomas M; Viggiano, A A

    2005-09-15

    Rate constants have been measured for electron attachment to C5F5N (297-433 K) and to 2, 3, 5, 6-C5HF4N (303 K) using a flowing-afterglow Langmuir-probe apparatus (at a He gas pressure of 133 Pa). In both cases only the parent anion was formed in the attachment process. The attachment rate constants measured at room temperature are 1.8 +/- 0.5 X 10(-7) and 7 +/- 3 X 10(-10) cm(-3) s(-1), respectively. Rate constants were also measured for thermal electron detachment from the parent anions of these molecules. For C5F5N- detachment is negligible at room temperature, but increases to 2530 +/- 890 s(-1) at 433 K. For 2, 3, 5, 6-C5HF4N-, the detachment rate at 303 K was 520 +/- 180 s(-1). The attachment/detachment equilibrium yielded experimental electron affinities EA(C5F5N)=0.70 +/- 0.05 eV and EA(2, 3, 5, 6-C5HF4N)=0.40 +/- 0.08 eV. Electronic structure calculations were carried out for these molecules and related C5HxF5-xN using density-functional theory and the G3(MP2)//B3LYP compound method. The EAs are found to decrease by 0.25 eV, on average, with each F substitution by H. The calculated EAs are in good agreement with the present experimental results.

  9. The degree of 5f electron localization in URu2Si2: electron energy-loss spectroscopy and spin-orbit sum rule analysis

    SciTech Connect

    Jeffries, J R; Moore, K T; Butch, N P; Maple, M B

    2010-05-19

    We examine the degree of 5f electron localization in URu{sub 2}Si{sub 2} using spin-orbit sum rule analysis of the U N{sub 4,5} (4d {yields} 5f) edge. When compared to {alpha}-U metal, US, USe, and UTe, which have increasing localization of the 5f states, we find that the 5f states of URu{sub 2}Si{sub 2} are more localized, although not entirely. Spin-orbit analysis shows that intermediate coupling is the correct angular momentum coupling mechanism for URu{sub 2}Si{sub 2} when the 5f electron count is between 2.6 and 2.8. These results have direct ramifications for theoretical assessment of the hidden order state of URu{sub 2}Si{sub 2}, where the degree of localization of the 5f electrons and their contribution to the Fermi surface are critical.

  10. Localized 5f electrons in superconducting PuCoIn₅: consequences for superconductivity in PuCoGa₅.

    PubMed

    Bauer, E D; Altarawneh, M M; Tobash, P H; Gofryk, K; Ayala-Valenzuela, O E; Mitchell, J N; McDonald, R D; Mielke, C H; Ronning, F; Griveau, J-C; Colineau, E; Eloirdi, R; Caciuffo, R; Scott, B L; Janka, O; Kauzlarich, S M; Thompson, J D

    2012-02-08

    The physical properties of the first In analog of the PuMGa(5) (M = Co, Rh) family of superconductors, PuCoIn(5), are reported. With its unit cell volume being 28% larger than that of PuCoGa(5), the characteristic spin-fluctuation energy scale of PuCoIn(5) is three to four times smaller than that of PuCoGa(5), which suggests that the Pu 5f electrons are in a more localized state relative to PuCoGa(5). This raises the possibility that the high superconducting transition temperature T(c) = 18.5 K of PuCoGa(5) stems from the proximity to a valence instability, while the superconductivity at T(c) = 2.5 K of PuCoIn(5) is mediated by antiferromagnetic spin fluctuations associated with a quantum critical point.

  11. Response to letter "Electron correlation and relativity of the 5f electrons in the Usbnd Zr alloy system"

    NASA Astrophysics Data System (ADS)

    Xie, Wei; Marianetti, Chris A.; Morgan, Dane

    2016-08-01

    In the Letter [Söderlind et al., J. Nucl. Mater. 444, 356 (2014)], Söderlind et al. state their interpretation that 1) we view electron correlation to be strong and including spin-orbit coupling (SOC) to be necessary for U metal and Usbnd Zr alloy in our article [Xiong et al., J. Nucl. Mater. 443, 331 (2013)]. Further, they argue that 2) density functional theory (DFT) without adding the Hubbard U potential, especially when solved using all electron methods, already models U and Usbnd Zr accurately, and 3) adding the Hubbard U potential to DFT in DFT + U models U and Usbnd Zr worse than DFT according to volume, bulk modulus, and magnetic moments predicted from their calculations of the γU phase of elemental U metal. With respect to Söderlind et al.'s interpretation 1), we clarify that our opinions are that U and Usbnd Zr are not strongly, but weakly to moderately correlated and that including SOC is beneficial but not necessary for modeling most ground state properties of U and Usbnd Zr. With respect to Söderlind et al.'s argument 2) we demonstrate that previously neglected and very recent experimental data suggest that DFT in Söderlind's full-potential linear muffin-tin orbital calculations [Söderlind, Phys. Rev. B 66, 085113 (2002)] in fact models the bulk modulus and elastic constants of αU with errors considerably larger than other related elements, e.g., most transition metals. With respect to Söderlind et al.'s argument 3) we argue that they have inappropriately focused on just one phase (the BCC γU phase of U metal), neglecting the other phases which represent the majority of our evidence, and made overgeneralizations based on results at only one Ueff value of 2 eV. We therefore maintain our original conclusion that the accuracy of DFT for modeling U and Usbnd Zr has room for improvement and DFT + U can be of value for this purpose on at least some ground state properties.

  12. Gas-phase reactions of doubly charged actinide cations with alkanes and alkenes--probing the chemical activity of 5f electrons from Th to Cm.

    PubMed

    Marçalo, Joaquim; Santos, Marta; Gibson, John K

    2011-11-07

    Small alkanes (methane, ethane, propane, n-butane) and alkenes (ethene, propene, 1-butene) were used to probe the gas-phase reactivity of doubly charged actinide cations, An(2+) (An = Th, Pa, U, Np, Pu, Am, Cm), by means of Fourier transform ion cyclotron resonance mass spectrometry. Different combinations of doubly and singly charged ions were observed as reaction products, comprising species formed via metal-ion induced eliminations of small molecules, simple adducts and ions resulting from electron, hydride or methide transfer channels. Th(2+), Pa(2+), U(2+) and Np(2+) preferentially yielded doubly charged products of hydrocarbon activation, while Pu(2+), Am(2+) and Cm(2+) reacted mainly through transfer channels. Cm(2+) was also capable of forming doubly charged products with some of the hydrocarbons whereas Pu(2+) and Am(2+) were not, these latter two ions conversely being the only for which adduct formation was observed. The product distributions and the reaction efficiencies are discussed in relation to the electronic configurations of the metal ions, the energetics of the reactions and similar studies previously performed with doubly charged lanthanide and transition metal cations. The conditions for hydrocarbon activation to occur as related to the accessibility of electronic configurations with one or two 5f and/or 6d unpaired electrons are examined and the possible chemical activity of the 5f electrons in these early actinide ions, particularly Pa(2+), is considered.

  13. Fermi energy 5f spectral weight variation in uranium alloys

    SciTech Connect

    Denlinger, J.D.; Clack, J.; Allen, J.W.

    1997-04-01

    Uranium materials display a wide range of thermal, electrical and magnetic properties, often exotic. For more than a decade there have been efforts to use photoemission spectroscopy to develop a systematic and unified understanding of the 5f electron states giving rise to this behavior. These efforts have been hampered by a paucity of systems where changes in transport properties are accompanied by substantial spectral changes, so as to allow an attempt to correlate the two kinds of properties within some model. The authors have made resonant photoemission measurements to extract the 5f spectral weight in three systems which show varying degrees of promise of permitting such an attempt, Y{sub 1{minus}x}U{sub x}Pd{sub 3}, U(Pd{sub x}Pt{sub 1{minus}x}){sub 3} and U(Pd{sub x}Cu{sub 1{minus}x}){sub 5}. They have also measured U 4f core level spectra. The 4f spectra can be modeled with some success by the impurity Anderson model (IAM), and the 5f spectra are currently being analyzed in that framework. The IAM characterizes the 5f-electrons of a single site by an f binding energy {epsilon}{sub f}, an f Coulomb interaction and a hybridization V to conduction electrons. Latent in the model are the phenomena of 5f mixed valence and the Kondo effect.

  14. Investigations of electron attachment to the perfluorocarbon molecules c-C4F8, 2-C4F8, 1,3 C4F6, and c-C5F8

    NASA Astrophysics Data System (ADS)

    Feil, Stefan; Märk, Tilmann D.; Mauracher, Andreas; Scheier, Paul; Mayhew, Chris A.

    2008-11-01

    Non-dissociative and dissociative electron attachment to a series of gas-phase perfluorocarbons (PFCs), namely octafluorocyclobutane, c-C4F8, octafluorobut-2-ene (perfluoro-2-butene), 2-C4F8, hexafluorobuta-1,3-diene (1,3 perfluorobutadiene), 1,3 C4F6, and octafluorocyclopentene (perfluorocyclopentene), c-C5F8, of importance to technological plasmas, have been investigated using two different, but complimentary, instruments available in Innsbruck over the electron energy range 0-20 eV. Anion yields as a function of electron energy have been recorded, with the positions and intensities of the electron attachment resonances being determined. One of these instruments is a double focusing sector field mass spectrometer (VG-ZAB-2SEQ), which has been used for measurements requiring high sensitivity and for obtaining accurate relative anion yields. It has also been used to determine the electron detachment lifetimes of the parent anions under various accelerating voltages, and these results are also presented. The second instrument (CELIA) is a trochoidal electron monochromator coupled to a quadrupole mass filter with a pulse counting system for detecting product anionic species. This provides a much higher energy resolution than the VG-ZAB, which makes it a better instrument to investigate narrow energy resonances close to 0 eV. The results of anion yields, peak positions and the relative intensities presented in this paper are compared with previous data of electron attachment to the above PFCs, including investigations by Professor Eugen Illenberger.

  15. Band structures of 4f and 5f materials studied by angle-resolved photoelectron spectroscopy

    NASA Astrophysics Data System (ADS)

    Fujimori, Shin-ichi

    2016-04-01

    Recent remarkable progress in angle-resolved photoelectron spectroscopy (ARPES) has enabled the direct observation of the band structures of 4f and 5f materials. In particular, ARPES with various light sources such as lasers (hν ∼ 7~\\text{eV} ) or high-energy synchrotron radiations (hν ≳ 400~\\text{eV} ) has shed light on the bulk band structures of strongly correlated materials with energy scales of a few millielectronvolts to several electronvolts. The purpose of this paper is to summarize the behaviors of 4f and 5f band structures of various rare-earth and actinide materials observed by modern ARPES techniques, and understand how they can be described using various theoretical frameworks. For 4f-electron materials, ARPES studies of \\text{Ce}M\\text{I}{{\\text{n}}5} (M=\\text{Rh} , \\text{Ir} , and \\text{Co} ) and \\text{YbR}{{\\text{h}}2}\\text{S}{{\\text{i}}2} with various incident photon energies are summarized. We demonstrate that their 4f electronic structures are essentially described within the framework of the periodic Anderson model, and that the band-structure calculation based on the local density approximation cannot explain their low-energy electronic structures. Meanwhile, electronic structures of 5f materials exhibit wide varieties ranging from itinerant to localized states. For itinerant \\text{U}~5f compounds such as \\text{UFeG}{{\\text{a}}5} , their electronic structures can be well-described by the band-structure calculation assuming that all \\text{U}~5f electrons are itinerant. In contrast, the band structures of localized \\text{U}~5f compounds such as \\text{UP}{{\\text{d}}3} and \\text{U}{{\\text{O}}2} are essentially explained by the localized model that treats \\text{U}~5f electrons as localized core states. In regards to heavy fermion \\text{U} -based compounds such as the hidden-order compound \\text{UR}{{\\text{u}}2}\\text{S}{{\\text{i}}2} , their electronic structures exhibit complex behaviors. Their overall band structures

  16. Band structures of 4f and 5f materials studied by angle-resolved photoelectron spectroscopy.

    PubMed

    Fujimori, Shin-ichi

    2016-04-20

    Recent remarkable progress in angle-resolved photoelectron spectroscopy (ARPES) has enabled the direct observation of the band structures of 4f and 5f materials. In particular, ARPES with various light sources such as lasers (hν ~ 7 eV) or high-energy synchrotron radiations (hν >/~ 400 eV) has shed light on the bulk band structures of strongly correlated materials with energy scales of a few millielectronvolts to several electronvolts. The purpose of this paper is to summarize the behaviors of 4f and 5f band structures of various rare-earth and actinide materials observed by modern ARPES techniques, and understand how they can be described using various theoretical frameworks. For 4f-electron materials, ARPES studies of CeMIn5(M = Rh, Ir, and Co) and YbRh2Si2 with various incident photon energies are summarized. We demonstrate that their 4f electronic structures are essentially described within the framework of the periodic Anderson model, and that the band-structure calculation based on the local density approximation cannot explain their low-energy electronic structures. Meanwhile, electronic structures of 5f materials exhibit wide varieties ranging from itinerant to localized states. For itinerant U5f compounds such as UFeGa5, their electronic structures can be well-described by the band-structure calculation assuming that all U5f electrons are itinerant. In contrast, the band structures of localized U5f compounds such as UPd3 and UO2 are essentially explained by the localized model that treats U5f electrons as localized core states. In regards to heavy fermion U-based compounds such as the hidden-order compound URu2Si2, their electronic structures exhibit complex behaviors. Their overall band structures are generally well-explained by the band-structure calculation, whereas the states in the vicinity of EF show some deviations due to electron correlation effects. Furthermore, the electronic structures of URu2Si2 in the paramagnetic and hidden-order phases are

  17. 5f Resonant photoemission from plutonium

    NASA Astrophysics Data System (ADS)

    Terry, J.; Schulze, R. K.; Farr, J. D.; Zocco, T.; Heinzelman, K.; Rotenberg, E.; Shuh, D. K.; Van der Laan, G.; Arena, D. A.; Tobin, J. G.

    2002-02-01

    Experimental resonant photoemission (ResPes) results for α-Pu and δ-Pu bulk samples are presented and compared to the results of an atomic model calculation. Both Pu samples exhibit limited agreement with the atomic model calculations. As expected, α-Pu appears to have more 5f valence band delocalization than δ-Pu. Evidence of an enhanced sensitivity to surface corruption, by using synchrotron radiation as the excitation, is presented.

  18. Probing the population of the spin-orbit split levels in the actinide 5f states.

    PubMed

    Moore, K T; van der Laan, G; Tobin, J G; Chung, B W; Wall, M A; Schwartz, A J

    2006-03-01

    Spin-orbit interaction in the 5f states is believed to strongly influence exotic behaviors observed in actinide metals and compounds. Understanding these interactions and how they relate to the actinide series is of considerable importance. To address this issue, the branching ratio of the white-line peaks of the N4,5 edge for the light actinide metals, alpha-Th, alpha-U, and alpha-Pu were recorded using electron energy-loss spectroscopy (EELS) in a transmission electron microscope (TEM) and synchrotron-radiation-based X-ray absorption spectroscopy (XAS). Using the spin-orbit sum rule and the branching ratios from both experimental spectra and many-electron atomic spectral calculations, accurate values of the spin-orbit interaction, and thus the relative occupation of the j = 5/2 and 7/2 levels, are determined for the actinide 5f states. Results show that the spin-orbit sum rule works very well with both EELS and XAS spectra, needing little or no correction. This is important, since the high spatial resolution of a TEM can be used to overcome the problems of single-crystal growth often encountered with actinide metals, allowing acquisition of EELS spectra, and subsequent spin-orbit analysis, from nm-sized regions. The relative occupation numbers obtained by our method have been compared with recent theoretical results and they show a good agreement in their trend.

  19. Multiconfigurational nature of 5f orbitals in uranium and plutonium and their intermetallic compounds

    NASA Astrophysics Data System (ADS)

    Booth, Corwin

    2013-03-01

    The structural, electronic, and magnetic properties of U and Pu elements and intermetallics remain poorly understood despite decades of effort, and currently represent an important scientific frontier toward understanding matter. The last decade has seen great progress both due to the discovery of superconductivity in PuCoGa5 and advances in theory that finally can explain fundamental ground state properties in elemental plutonium, such as the phonon dispersion curve, the non-magnetic ground state, and the volume difference between the α and δ phases. A new feature of the recent calculations is the presence not only of intermediate valence of the Pu 5f electrons, but of multiconfigurational ground states, where the different properties of the α and δ phases are primarily governed by the different relative weights of the 5f4, 5f5, and 5f6 electronic configurations. The usual method for measuring multiconfigurational states in the lanthanides is to measure the lanthanide LIII-edge x-ray absorption near-edge structure (XANES), a method that is severely limited for the actinides because the spectroscopic features are not well enough separated. Advances in resonant x-ray emission spectroscopy (RXES) have now allowed for spectra with sufficient resolution to resolve individual resonances associated with the various actinide valence states. Utilizing a new spectrometer at the Stanford Synchrotron Radiation Lightsource (SSRL), RXES data have been collected that show, for the first time, spectroscopic signatures of each of these configurations and their relative changes in various uranium and plutonium intermetallic compounds. In combination with conventional XANES spectra on related compounds, these data indicate such states may be ubiquitous in uranium and plutonium intermetallics, providing a new framework toward understanding properties ranging from heavy fermion behavior, superconductivity, and intermediate valence to mechanical and fundamental bonding behavior in

  20. Rampant changes in 5f 5/2 and 5f 7/2 filling across the light and middle actinide metals

    SciTech Connect

    Moore, K; der Lann, G v; Wall, M; Schwartz, A; Haire, R

    2007-04-03

    We examine the branching ratio of the N{sub 4,5} (4d {yields} 5f ) spectra of Th, U, Np, Pu, Am, and Cm metal using electron energy-loss spectroscopy (EELS) in a transmission electron microscope (TEM), together with many-electron atomic spectral calculations and the spin-orbit sum rule. Our results show that: (1) The actinide metals Pu, Am, and Cm exhibit intermediate coupling. (2) The intermediate coupling values for the 5f states as calculated using a many-electron atomic model are correct for the actinides, this being proven by our new results for curium. (3) The EELS branching ratio is sensitive to the degree of 5f electron delocalization, which is illustrated by the transition from LS to intermediate coupling between U and Pu.

  1. Multiconfigurational nature of 5f orbitals in uranium and plutonium intermetallics

    PubMed Central

    Booth, C.H.; Jiang, Yu; Wang, D.L.; Mitchell, J.N.; Tobash, P.H.; Bauer, E.D.; Wall, M.A.; Allen, P.G.; Sokaras, D.; Nordlund, D.; Weng, T.-C.; Torrez, M.A.; Sarrao, J.L.

    2012-01-01

    Uranium and plutonium’s 5f electrons are tenuously poised between strongly bonding with ligand spd-states and residing close to the nucleus. The unusual properties of these elements and their compounds (e.g., the six different allotropes of elemental plutonium) are widely believed to depend on the related attributes of f-orbital occupancy and delocalization for which a quantitative measure is lacking. By employing resonant X-ray emission spectroscopy (RXES) and X-ray absorption near-edge structure (XANES) spectroscopy and making comparisons to specific heat measurements, we demonstrate the presence of multiconfigurational f-orbital states in the actinide elements U and Pu and in a wide range of uranium and plutonium intermetallic compounds. These results provide a robust experimental basis for a new framework toward understanding the strongly-correlated behavior of actinide materials. PMID:22706643

  2. Multiconfigurational nature of 5f orbitals in uranium and plutonium intermetallics.

    PubMed

    Booth, C H; Jiang, Yu; Wang, D L; Mitchell, J N; Tobash, P H; Bauer, E D; Wall, M A; Allen, P G; Sokaras, D; Nordlund, D; Weng, T-C; Torrez, M A; Sarrao, J L

    2012-06-26

    Uranium and plutonium's 5f electrons are tenuously poised between strongly bonding with ligand spd-states and residing close to the nucleus. The unusual properties of these elements and their compounds (e.g., the six different allotropes of elemental plutonium) are widely believed to depend on the related attributes of f-orbital occupancy and delocalization for which a quantitative measure is lacking. By employing resonant X-ray emission spectroscopy (RXES) and X-ray absorption near-edge structure (XANES) spectroscopy and making comparisons to specific heat measurements, we demonstrate the presence of multiconfigurational f-orbital states in the actinide elements U and Pu and in a wide range of uranium and plutonium intermetallic compounds. These results provide a robust experimental basis for a new framework toward understanding the strongly-correlated behavior of actinide materials.

  3. The 5f2-->5f16d1 absorption spectrum of Cs2GeF6:U4+ crystals: A quantum chemical and experimental study.

    PubMed

    Ordejón, Belén; Karbowiak, Miroslaw; Seijo, Luis; Barandiarán, Zoila

    2006-08-21

    Single crystals of U(4+)-doped Cs2GeF6 with 1% U4+ concentration have been obtained by the modified Bridgman-Stockbarger method in spite of the large difference in ionic radii between Ge4+ and U4+ in octahedral coordination. Their UV absorption spectrum has been recorded at 7 K, between 190 and 350 nm; it consists of a first broad and intense band peaking at about 38,000 cm(-1) followed by a number of broad bands of lower intensity from 39,000 to 45,000 cm(-1). None of the bands observed shows appreciable fine vibronic structure, so that the energies of experimental electronic origins cannot be deduced and the assignment of the experimental spectrum using empirical methods based on crystal field theory cannot be attempted. Alternatively, the profile of the absorption spectrum has been obtained theoretically using the U-F bond lengths and totally symmetric vibrational frequencies of the ground 5f2 - 1A(1g) and 5f16d(t(2g))1 - iT(1u) excited states, their energy differences, and their corresponding electric dipole transition moments calculated using the relativistic ab initio model potential embedded cluster method. The calculations suggest that the observed bands are associated with the lowest five 5f2 - 1A(1g)-->5f16d(t(2g))1 - iT(1u) (i = 1-5) dipole allowed electronic origins and their vibrational progressions. In particular, the first broad and intense band peaking at about 38,000 cm(-1) can be safely assigned to the 0-0 and 0-1 members of the a(1g) progression of the 5f2 - 1A(1g)-->5f16d(t(2g))1 - 1T(1u) electronic origin. The electronic structure of all the states with main configurational character 5f16d(t(2g))1 has been calculated as well. The results show that the lowest crystal level of this manifold is 5f16d(t(2g))1 - 1E(u) and lies about 6200 cm(-1) above the 5f2 level closest in energy, which amounts to some 11 vibrational quanta. This large energy gap could result in low nonradiative decay and efficient UV emission, which suggest the interest of

  4. Synchronous behavior of two coupled electronic neurons

    SciTech Connect

    Pinto, R. D.; Varona, P.; Volkovskii, A. R.; Szuecs, A.; Abarbanel, Henry D. I.; Rabinovich, M. I.

    2000-08-01

    We report on experimental studies of synchronization phenomena in a pair of analog electronic neurons (ENs). The ENs were designed to reproduce the observed membrane voltage oscillations of isolated biological neurons from the stomatogastric ganglion of the California spiny lobster Panulirus interruptus. The ENs are simple analog circuits which integrate four-dimensional differential equations representing fast and slow subcellular mechanisms that produce the characteristic regular/chaotic spiking-bursting behavior of these cells. In this paper we study their dynamical behavior as we couple them in the same configurations as we have done for their counterpart biological neurons. The interconnections we use for these neural oscillators are both direct electrical connections and excitatory and inhibitory chemical connections: each realized by analog circuitry and suggested by biological examples. We provide here quantitative evidence that the ENs and the biological neurons behave similarly when coupled in the same manner. They each display well defined bifurcations in their mutual synchronization and regularization. We report briefly on an experiment on coupled biological neurons and four-dimensional ENs, which provides further ground for testing the validity of our numerical and electronic models of individual neural behavior. Our experiments as a whole present interesting new examples of regularization and synchronization in coupled nonlinear oscillators. (c) 2000 The American Physical Society.

  5. Emergent behavior in strongly correlated electron systems

    NASA Astrophysics Data System (ADS)

    Pines, David

    2016-09-01

    I describe early work on strongly correlated electron systems (SCES) from the perspective of a theoretical physicist who, while a participant in their reductionist top-down beginnings, is now part of the paradigm change to a bottom-up ‘emergent’ approach with its focus on using phenomenology to find the organizing principles responsible for their emergent behavior disclosed by experiment—and only then constructing microscopic models that incorporate these. After considering the organizing principles responsible for the emergence of plasmons, quasiparticles, and conventional superconductivity in SCES, I consider their application to three of SCES’s sister systems, the helium liquids, nuclei, and the nuclear matter found in neutron stars. I note some recent applications of the random phase approximation and examine briefly the role that paradigm change is playing in two central problems in our field: understanding the emergence and subsequent behavior of heavy electrons in Kondo lattice materials; and finding the mechanism for the unconventional superconductivity found in heavy electron, organic, cuprate, and iron-based materials.

  6. Emergent behavior in strongly correlated electron systems.

    PubMed

    Pines, David

    2016-09-01

    I describe early work on strongly correlated electron systems (SCES) from the perspective of a theoretical physicist who, while a participant in their reductionist top-down beginnings, is now part of the paradigm change to a bottom-up 'emergent' approach with its focus on using phenomenology to find the organizing principles responsible for their emergent behavior disclosed by experiment-and only then constructing microscopic models that incorporate these. After considering the organizing principles responsible for the emergence of plasmons, quasiparticles, and conventional superconductivity in SCES, I consider their application to three of SCES's sister systems, the helium liquids, nuclei, and the nuclear matter found in neutron stars. I note some recent applications of the random phase approximation and examine briefly the role that paradigm change is playing in two central problems in our field: understanding the emergence and subsequent behavior of heavy electrons in Kondo lattice materials; and finding the mechanism for the unconventional superconductivity found in heavy electron, organic, cuprate, and iron-based materials.

  7. Total cross sections of electron scattering by C4H8O, C5H10O2, C6H5F, C6H5Cl, C6F5Cl, C6H4(CHO)F and C4H8O2 at 30-5000 eV

    NASA Astrophysics Data System (ADS)

    Shi, D. H.; Liu, Y. F.; Ma, H.; Yu, B. H.; Sun, J. F.; Zhu, Z. L.

    2008-08-01

    Total cross sections for electron scattering by large molecules C4H8O, C5H10O2, C6H5F, C6H5Cl, C6F5Cl, C6H4(CHO)F and C4H8O2 are calculated at the Hartree-Fork level using the modified additivity rule approach. The modified additivity rule approach, which was proposed by Shi et al. [Eur. Phys. J. D 45, 253 (2007); Nucl. Instrum. Meth. B 254, 205 (2007)], takes into consideration that the contributions of the geometric shielding effect vary with the energy of the incident electrons, the target’s molecular dimension and the atomic and electronic numbers of the molecule. The present calculations cover the collision energies ranging from 30 to 5000 eV. The quantitative total cross sections are compared with those obtained by experiments and other theories. Good agreement is obtained even at energies of several tens of eV. It shows that the modified additivity rule approach is applicable to calculate the total cross sections of electron scattering by so large molecules at intermediate and high energies, especially above 100 eV. The total cross sections for electron scattering by the C4H8O2 molecule are predicted although no experimental and theoretical data are available for comparison over the present energy region.

  8. BEHAVIOR OF EXCESS ELECTRONS IN SUPERCRITICAL FLUIDS - ELECTRON ATTACHMENT

    SciTech Connect

    NISHIKAWA,M.; HOLROYD,R.A.; ITOH,K.

    1999-07-01

    The behavior of excess electrons in supercritical ethane was investigated by measuring mobility and reaction rates. Mobilities were measured by means of a time-of-flight method at 306--320K as a function of pressure. Mobility values decreased at all temperatures with increasing pressure, but showed a small minimum or a shoulder at the pressure where the compressibility {chi}{sub T} has a peak. Electron attachment to CO{sub 2}, NO, pyrimidine and C{sub 2}F{sub 4} over the same temperature range was studied as a function of pressure. Both attachment rate constants k{sub a} for NO and C{sub 2}F{sub 4}, and equilibrium constants K({double_bond}k{sub a}/k{sub d}) for CO{sub 2} and pyrimidine increased sharply at pressures of {chi}{sub T} peaks. Activation volumes V{sub a}* and reaction volumes {Delta}V{sub r} are very large and negative in the critical region. The volume change is mainly due to electrostriction around ions formed. The results are compared to volume changes predicted by, a compressible continuum model.

  9. 5f{sup N} configurations and x-ray spectra of actinides

    SciTech Connect

    Kulagin, N.A.

    1995-04-01

    The electronic structure of 5f{sup N} configurations and the characteristic X-ray radiation energies for an entire actinium series are calculated using the Hartree-Fock-Pauli approximation, and the variations obtained are analyzed. The electrostatic and magnetic parameters of these ions, as well as energies of their K and L lines, exhibit essentially nonlinear dependence on the nuclear charge and number of electrons. This fact evidences that simplified models of atomic structure are inapplicable to heavy ions.

  10. Behavioral-Progress Monitoring Using the Electronic Daily Behavioral Report Card (e-DBRC) System

    ERIC Educational Resources Information Center

    Burke, Mack D.; Vannest, Kimberly J.

    2008-01-01

    In this article, the authors present an overview of a Web-based electronic system for behavioral-progress monitoring. Behavioral-progress monitoring is necessary to evaluate responsiveness to behavioral interventions, the effects of positive behavioral support, and the attainment of individualized education program goals and objectives. The…

  11. ANALYSIS OF THE TANK 5F FINAL CHARATERIZATION SAMPLES-2011

    SciTech Connect

    Oji, L.; Diprete, D.; Coleman, C.; Hay, M.

    2012-01-20

    The Savannah River National Laboratory (SRNL) was requested by SRR to provide sample preparation and analysis of the Tank 5F final characterization samples to determine the residual tank inventory prior to grouting. Two types of samples were collected and delivered to SRNL: floor samples across the tank and subsurface samples from mounds near risers 1 and 5 of Tank 5F. These samples were taken from Tank 5F between January and March 2011. These samples from individual locations in the tank (nine floor samples and six mound Tank 5F samples) were each homogenized and combined in a given proportion into 3 distinct composite samples to mimic the average composition in the entire tank. These Tank 5F composite samples were analyzed for radiological, chemical and elemental components. Additional measurements performed on the Tank 5F composite samples include bulk density and water leaching of the solids to account for water soluble species. With analyses for certain challenging radionuclides as the exception, all composite Tank 5F samples were analyzed and reported in triplicate. The target detection limits for isotopes analyzed were based on customer desired detection limits as specified in the technical task request documents. SRNL developed new methodologies to meet these target detection limits and provide data for the extensive suite of components. While many of the target detection limits were met for the species characterized for Tank 5F, as specified in the technical task request, some were not met. In a few cases, the relatively high levels of radioactive species of the same element or a chemically similar element precluded the ability to measure some isotopes to low levels. The Technical Task Request allows that while the analyses of these isotopes is needed, meeting the detection limits for these isotopes is a lower priority than meeting detection limits for the other specified isotopes. The isotopes whose detection limits were not met in all cases included the

  12. ANALYSIS OF THE TANK 5F FINAL CHARACTERIZATION SAMPLES-2011

    SciTech Connect

    Oji, L.; Diprete, D.; Coleman, C.; Hay, M.

    2012-08-03

    The Savannah River National Laboratory (SRNL) was requested by SRR to provide sample preparation and analysis of the Tank 5F final characterization samples to determine the residual tank inventory prior to grouting. Two types of samples were collected and delivered to SRNL: floor samples across the tank and subsurface samples from mounds near risers 1 and 5 of Tank 5F. These samples were taken from Tank 5F between January and March 2011. These samples from individual locations in the tank (nine floor samples and six mound Tank 5F samples) were each homogenized and combined in a given proportion into 3 distinct composite samples to mimic the average composition in the entire tank. These Tank 5F composite samples were analyzed for radiological, chemical and elemental components. Additional measurements performed on the Tank 5F composite samples include bulk density and water leaching of the solids to account for water soluble species. With analyses for certain challenging radionuclides as the exception, all composite Tank 5F samples were analyzed and reported in triplicate. The target detection limits for isotopes analyzed were based on customer desired detection limits as specified in the technical task request documents. SRNL developed new methodologies to meet these target detection limits and provide data for the extensive suite of components. While many of the target detection limits were met for the species characterized for Tank 5F, as specified in the technical task request, some were not met. In a few cases, the relatively high levels of radioactive species of the same element or a chemically similar element precluded the ability to measure some isotopes to low levels. The Technical Task Request allows that while the analyses of these isotopes is needed, meeting the detection limits for these isotopes is a lower priority than meeting detection limits for the other specified isotopes. The isotopes whose detection limits were not met in all cases included the

  13. Analysis Of The Tank 5F Final Characterization Samples-2011

    SciTech Connect

    Oji, L. N.; Diprete, D.; Coleman, C. J.; Hay, M. S.

    2012-09-27

    The Savannah River National Laboratory (SRNL) was requested by SRR to provide sample preparation and analysis of the Tank 5F final characterization samples to determine the residual tank inventory prior to grouting. Two types of samples were collected and delivered to SRNL: floor samples across the tank and subsurface samples from mounds near risers 1 and 5 of Tank 5F. These samples were taken from Tank 5F between January and March 2011. These samples from individual locations in the tank (nine floor samples and six mound Tank 5F samples) were each homogenized and combined in a given proportion into 3 distinct composite samples to mimic the average composition in the entire tank. These Tank 5F composite samples were analyzed for radiological, chemical and elemental components. Additional measurements performed on the Tank 5F composite samples include bulk density and water leaching of the solids to account for water soluble species. With analyses for certain challenging radionuclides as the exception, all composite Tank 5F samples were analyzed and reported in triplicate. The target detection limits for isotopes analyzed were based on customer desired detection limits as specified in the technical task request documents. SRNL developed new methodologies to meet these target detection limits and provide data for the extensive suite of components. While many of the target detection limits were met for the species characterized for Tank 5F, as specified in the technical task request, some were not met. In a few cases, the relatively high levels of radioactive species of the same element or a chemically similar element precluded the ability to measure some isotopes to low levels. The Technical Task Request allows that while the analyses of these isotopes is needed, meeting the detection limits for these isotopes is a lower priority than meeting detection limits for the other specified isotopes. The isotopes whose detection limits were not met in all cases included the

  14. Electron-beam-induced ferroelectric domain behavior in the transmission electron microscope: Toward deterministic domain patterning

    NASA Astrophysics Data System (ADS)

    Hart, James L.; Liu, Shi; Lang, Andrew C.; Hubert, Alexander; Zukauskas, Andrius; Canalias, Carlota; Beanland, Richard; Rappe, Andrew M.; Arredondo, Miryam; Taheri, Mitra L.

    2016-11-01

    We report on transmission electron microscope beam-induced ferroelectric domain nucleation and motion. While previous observations of this phenomenon have been reported, a consistent theory explaining induced domain response is lacking, and little control over domain behavior has been demonstrated. We identify positive sample charging, a result of Auger and secondary electron emission, as the underlying mechanism driving domain behavior. By converging the electron beam to a focused probe, we demonstrate controlled nucleation of nanoscale domains. Molecular dynamics simulations performed are consistent with experimental results, confirming positive sample charging and reproducing the result of controlled domain nucleation. Furthermore, we discuss the effects of sample geometry and electron irradiation conditions on induced domain response. These findings elucidate past reports of electron beam-induced domain behavior in the transmission electron microscope and provide a path towards more predictive, deterministic domain patterning through electron irradiation.

  15. Electronic visualization of gas bearing behavior

    NASA Technical Reports Server (NTRS)

    Evans, R. C.; Klassen, H. A.; Wong, R. Y.

    1969-01-01

    Visualization technique produces a visual simulation of gas bearing operation by electronically combining the outputs from the clearance probes used to monitor bearing component motion. Computerized recordings of the probes output are processed, displayed on an oscilloscope screen and recorded with a high-speed motion picture camera.

  16. Teaching Behavioral Modeling and Simulation Techniques for Power Electronics Courses

    ERIC Educational Resources Information Center

    Abramovitz, A.

    2011-01-01

    This paper suggests a pedagogical approach to teaching the subject of behavioral modeling of switch-mode power electronics systems through simulation by general-purpose electronic circuit simulators. The methodology is oriented toward electrical engineering (EE) students at the undergraduate level, enrolled in courses such as "Power…

  17. Electronic health records: eliciting behavioral health providers' beliefs.

    PubMed

    Shank, Nancy; Willborn, Elizabeth; Pytlikzillig, Lisa; Noel, Harmonijoie

    2012-04-01

    Interviews with 32 community behavioral health providers elicited perceived benefits and barriers of using electronic health records. Themes identified were (a) quality of care, (b) privacy and security, and (c) delivery of services. Benefits to quality of care were mentioned by 100% of the providers, and barriers by 59% of providers. Barriers involving privacy and security concerns were mentioned by 100% of providers, and benefits by 22%. Barriers to delivery of services were mentioned by 97% of providers, and benefits by 66%. Most providers (81%) expressed overall positive support for electronic behavioral health records.

  18. Questioning Behavior on a Consumer Health Electronic List.

    ERIC Educational Resources Information Center

    White, Marilyn Domas

    2000-01-01

    Using a thorough analytical framework, this study characterizes the questioning behavior on a consumer health-related electronic list. Analysis examines the dedication of the list to questioning; pattern of question asking within a message; type of question; length of answer anticipated; subject of question; combination of type of question and…

  19. F-5F Shark Nose radome lightning test

    NASA Technical Reports Server (NTRS)

    Scott, G. W.

    1980-01-01

    A unique F-5F radome wtih a geometry similar to a Shark Nose profile was tested with a high voltage Marx generator, 1,200,000 volts in order to demonstrate the effectiveness of the lightning protection system with currents from 5,000 amperes or greater. An edge discontinuity configuration is a characteristic feature in the forward region of the radome and occasionally serves as an attachment point. The results of nineteen attachment tests at various aspect angles with an air gap of one meter indicated that no damage occurred to the dielectric material of the radom. The test proved the effectiveness of the lightning protection system.

  20. Oxalate Mass Balance During Chemical Cleaning in Tank 5F

    SciTech Connect

    Poirier, M.; Fink, S.

    2011-07-08

    The Savannah River Site (SRS) is preparing Tank 5F for closure. The first step in preparing the tank for closure is mechanical sludge removal. Following mechanical sludge removal, SRS performed chemical cleaning with oxalic acid to remove the sludge heel. Personnel are currently assessing the effectiveness of the chemical cleaning to determine whether the tank is ready for closure. SRS personnel collected liquid samples during chemical cleaning and submitted them to Savannah River National Laboratory (SRNL) for analysis. Following chemical cleaning, they collected a solid sample (also known as 'process sample') and submitted it to SRNL for analysis. The authors analyzed these samples to assess the effectiveness of the chemical cleaning process. Analysis of the anions showed the measured oxalate removed from Tank 5F to be approximately 50% of the amount added in the oxalic acid. To close the oxalate mass balance, the author collected solid samples, leached them with nitric acid, and measured the concentration of cations and anions in the leachate.

  1. ANALYSIS OF SAMPLES FROM TANK 5F CHEMICAL CLEANING

    SciTech Connect

    Poirier, M.; Fink, S.

    2011-03-07

    The Savannah River Site (SRS) is preparing Tank 5F for closure. The first step in preparing the tank for closure is mechanical sludge removal. Following mechanical sludge removal, SRS performed chemical cleaning with oxalic acid to remove the sludge heel. Personnel are currently assessing the effectiveness of the chemical cleaning. SRS personnel collected liquid samples during chemical cleaning and submitted them to Savannah River National Laboratory (SRNL) for analysis. Following chemical cleaning, they collected a solid sample (also known as 'process sample') and submitted it to SRNL for analysis. The authors analyzed these samples to assess the effectiveness of the chemical cleaning process. The conclusions from this work are: (1) With the exception of iron, the dissolution of sludge components from Tank 5F agreed with results from the actual waste demonstration performed in 2007. The fraction of iron removed from Tank 5F by chemical cleaning was significantly less than the fraction removed in the SRNL demonstrations. The likely cause of this difference is the high pH following the first oxalic acid strike. (2) Most of the sludge mass remaining in the tank is iron and nickel. (3) The remaining sludge contains approximately 26 kg of barium, 37 kg of chromium, and 37 kg of mercury. (4) Most of the radioactivity remaining in the residual material is beta emitters and {sup 90}Sr. (5) The chemical cleaning removed more than {approx} 90% of the uranium isotopes and {sup 137}Cs. (6) The chemical cleaning removed {approx} 70% of the neptunium, {approx} 83% of the {sup 90}Sr, and {approx} 21% of the {sup 60}Co. (7) The chemical cleaning removed less than 10% of the plutonium, americium, and curium isotopes. (8) The chemical cleaning removed more than 90% of the aluminium, calcium, and sodium from the tank. (9) The cleaning operations removed 61% of lithium, 88% of non-radioactive strontium, and 65% of zirconium. The {sup 90}Sr and non-radioactive strontium were measured

  2. Pressure-induced changes in the electronic structure of americium metal

    SciTech Connect

    Soderlind, P; Moore, K T; Landa, A; Bradley, J A

    2011-02-25

    We have conducted electronic-structure calculations for Am metal under pressure to investigate the behavior of the 5f-electron states. Density-functional theory (DFT) does not reproduce the experimental photoemission spectra for the ground-state phase where the 5f electrons are localized, but the theory is expected to be correct when 5f delocalization occurs under pressure. The DFT prediction is that peak structures of the 5f valence band will merge closer to the Fermi level during compression indicating presence of itinerant 5f electrons. Existence of such 5f bands is argued to be a prerequisite for the phase transitions, particularly to the primitive orthorhombic AmIV phase, but does not agree with modern dynamical-mean-field theory (DMFT) results. Our DFT model further suggests insignificant changes of the 5f valence under pressure in agreement with recent resonant x-ray emission spectroscopy, but in contradiction to the DMFT predictions. The influence of pressure on the 5f valency in the actinides is discussed and is shown to depend in a non-trivial fashion on 5f band position and occupation relative to the spd valence bands.

  3. "Politically-Incorrect" Electron Behavior in Low Pressure RF Discharges

    NASA Astrophysics Data System (ADS)

    Godyak, Valery; Kolobov, Vladimir

    1996-10-01

    The main interaction of plasma electrons with electromagnetic fields for bounded plasma of an rf discharge occurs in the vicinity of its boundaries (in the rf sheath of a capacitive rf discharge and in the skin layer of an inductive one). On the other hand, due to plasma inhomogeneity, a dc ambipolar field is always present in the bounded plasma. in low pressure discharges the ambipolar potential well captures low energy electrons within the discharge center while high energy electrons freely overcome the ambipolar potential and reach the plasma boundaries where heating takes place. Being segregated in space, low energy electrons are discriminated from participation in the heating process. When Coulomb interaction between low and high energy electron groups is weak, their temperatures appear to be essentially different ( a low energy peak on the EEDF). In this presentation we present theoretical and experimental evidence of such an apartheid in the low and high energy electron populations of the EEDF in rf discharge and we outline discharge conditions where such abnormal EEDF behavior is possible.

  4. Photophysical properties of ESIPT inspired fluorescent 2-(2-hydroxyphenyl)-6-methylimidazo[4,5-f]isoindole-5,7(1H,6H)-dione and its derivative: Experimental and DFT based approach

    NASA Astrophysics Data System (ADS)

    Deshmukh, Mininath S.; Sekar, Nagaiyan

    2015-01-01

    The excited-state intramolecular proton transfer chromophores 2-(2-hydroxyphenyl)-6-methylimidazo[4,5-f]isoindole-5,7(1H,6H)-dione and 2-(4-(diethylamino)-2-hydroxyphenyl)-6-methylimidazo[4,5-f]isoindole-5,7(1H,6H)-dione are synthesized from 4,5-diamino-N-methylphthalimide. The photophysical behavior of the synthesized chromophores was studied using UV-visible and fluorescence spectroscopy in the polar and non-polar solvents. The synthesized o-hydroxyphenyl benzimidazole derivatives are fluorescent and very sensitive to the solvent polarity. These dyes are thermally stable up to 317 °C. Density Functional Theory computations have been used to understand the structural, molecular, electronic and photophysical properties of the chromophores. The experimental absorption and emission wavelengths are in good agreement with the computed vertical excitation and theoretical emission obtained by Density Functional Theory and Time Dependant Density Functional Theory.

  5. CHARACTERIZATION AND ACTUAL WASTE TEST WITH TANK 5F SAMPLES

    SciTech Connect

    Hay, M. S.; Crapse, K. P.; Fink, S. D.; Pareizs, J. M.

    2007-08-30

    The initial phase of bulk waste removal operations was recently completed in Tank 5F. Video inspection of the tank indicates several mounds of sludge still remain in the tank. Additionally, a mound of white solids was observed under Riser 5. In support of chemical cleaning and heel removal programs, samples of the sludge and the mound of white solids were obtained from the tank for characterization and testing. A core sample of the sludge and Super Snapper sample of the white solids were characterized. A supernate dip sample from Tank 7F was also characterized. A portion of the sludge was used in two tank cleaning tests using oxalic acid at 50 C and 75 C. The filtered oxalic acid from the tank cleaning tests was subsequently neutralized by addition to a simulated Tank 7F supernate. Solids and liquid samples from the tank cleaning test and neutralization test were characterized. A separate report documents the results of the gas generation from the tank cleaning test using oxalic acid and Tank 5F sludge. The characterization results for the Tank 5F sludge sample (FTF-05-06-55) appear quite good with respect to the tight precision of the sample replicates, good results for the glass standards, and minimal contamination found in the blanks and glass standards. The aqua regia and sodium peroxide fusion data also show good agreement between the two dissolution methods. Iron dominates the sludge composition with other major contributors being uranium, manganese, nickel, sodium, aluminum, and silicon. The low sodium value for the sludge reflects the absence of supernate present in the sample due to the core sampler employed for obtaining the sample. The XRD and CSEM results for the Super Snapper salt sample (i.e., white solids) from Tank 5F (FTF-05-07-1) indicate the material contains hydrated sodium carbonate and bicarbonate salts along with some aluminum hydroxide. These compounds likely precipitated from the supernate in the tank. A solubility test showed the material

  6. The behavior of electron density and temperature during ionospheric heating near the fifth electron gyrofrequency

    NASA Astrophysics Data System (ADS)

    Wu, Jun; Wu, Jian; Rietveld, M. T.; Haggstrom, I.; Zhao, Haisheng; Xu, Zhengwen

    2017-01-01

    The experimental phenomena involving the changes in electron temperature and electron density as a function of pump frequency during an ionospheric heating campaign at European Incoherent Scatter near Tromsø, Norway, are reported. When the pump frequency is slightly above the fifth electron gyrofrequency, the UHF radar observation shows some apparent enhancements over a wide altitude range in radar echo, ion line, and electron density respectively, which are apparently altitude independent and consistent temporally with the upshifting and spread of plasma line around the reflection altitude. However, they do not, in fact, correspond to true increase in electron density. Based on some existing theories, some discussions are presented to try to explain the above enhancements and the upshifting and spread of plasma line. Even so, the mechanism remains to be determined. In addition, the observation also shows some enhancements in electron temperature as a function of pump frequency around the reflection altitude of the pump, which are dependent on the behavior of dispersion of the upper hybrid wave near the fifth electron gyrofrequency.

  7. Electrokinesis is a microbial behavior that requires extracellular electron transport

    SciTech Connect

    Harris, Howard W.; El-Naggar, Mohamed Y.; Bretschger, Orianna; Ward, Melissa J.; Romine, Margaret F.; Obraztsova, Anna; Nealson, Kenneth H.

    2010-01-05

    swimming speed of cells in a population is considerably lower (14). Research has also shown that S. oneidensis MR-1 also displays chemotactic responses to several soluble electron acceptors, including Fe(III) citrate (15, 16) and that the CheA-3 histidine protein kinase is required for this chemotactic behavior to be observed (14). Strain MR-1 has 4 also been shown to be very sensitive to the presence of electron acceptors. For example, strain MR-1 ceases motility after a short time in the absence of an electron acceptor; however motility can be restored upon the re-addition of an electron acceptor. Here we present data that suggest that the shewanellae exhibit a motility response not previously reported: we call it electrokinesis. This response occurs intermittently with the cells in proximity to a solid electron acceptor, such as a manganese oxide particle or the working electrode of an electrochemical cell, and motility is observed to increase after contact. In addition to increased swimming velocities, cells occasionally pause on the solid acceptor surface, then after brief contact (up to 1 second) the cells typically swim away in the opposite direction from which they approached. Electrokinesis is not a uniform response that can be observed in all cells, although if an electron shuttle is added, all cells rapidly become motile.

  8. Direct bulk-sensitive probe of 5f symmetry in URu2Si2

    NASA Astrophysics Data System (ADS)

    Sundermann, Martin; Haverkort, Maurits W.; Agrestini, Stefano; Al-Zein, Ali; Moretti Sala, Marco; Huang, Yingkai; Golden, Mark; de Visser, Anne; Thalmeier, Peter; Hao Tjeng, Liu; Severing, Andrea

    2016-12-01

    The second-order phase transition into a hidden order phase in URu2Si2 goes along with an order parameter that is still a mystery, despite 30 years of research. However, it is understood that the symmetry of the order parameter must be related to the symmetry of the low-lying local electronic f-states. Here, we present results of a spectroscopic technique, namely core-level nonresonant inelastic X-ray scattering (NIXS). This method allows for the measurement of local high-multipole excitations and is bulk-sensitive. The observed anisotropy of the scattering function unambiguously shows that the 5f ground-state wave function is composed mainly of the Γ1 with majority Jz = |4> + |-4> and/or Γ2 singlet states. The incomplete dichroism indicates the possibility that quantum states of other irreducible representation are mixed into the ground state.

  9. Direct bulk-sensitive probe of 5f symmetry in URu2Si2

    PubMed Central

    Sundermann, Martin; Haverkort, Maurits W.; Agrestini, Stefano; Al-Zein, Ali; Moretti Sala, Marco; Huang, Yingkai; Golden, Mark; de Visser, Anne; Thalmeier, Peter; Tjeng, Liu Hao; Severing, Andrea

    2016-01-01

    The second-order phase transition into a hidden order phase in URu2Si2 goes along with an order parameter that is still a mystery, despite 30 years of research. However, it is understood that the symmetry of the order parameter must be related to the symmetry of the low-lying local electronic f-states. Here, we present results of a spectroscopic technique, namely core-level nonresonant inelastic X-ray scattering (NIXS). This method allows for the measurement of local high-multipole excitations and is bulk-sensitive. The observed anisotropy of the scattering function unambiguously shows that the 5f ground-state wave function is composed mainly of the Γ1 with majority Jz = |4⟩ + |−4⟩ and/or Γ2 singlet states. The incomplete dichroism indicates the possibility that quantum states of other irreducible representation are mixed into the ground state. PMID:27872287

  10. Circularly polarized luminescence of curium: a new characterization of the 5f actinide complexes.

    PubMed

    Law, Ga-Lai; Andolina, Christopher M; Xu, Jide; Luu, Vinh; Rutkowski, Philip X; Muller, Gilles; Shuh, David K; Gibson, John K; Raymond, Kenneth N

    2012-09-19

    A key distinction between the lanthanide (4f) and the actinide (5f) transition elements is the increased role of f-orbital covalent bonding in the latter. Circularly polarized luminescence (CPL) is an uncommon but powerful spectroscopy which probes the electronic structure of chiral, luminescent complexes or molecules. While there are many examples of CPL spectra for the lanthanides, this report is the first for an actinide. Two chiral, octadentate chelating ligands based on orthoamide phenol (IAM) were used to complex curium(III). While the radioactivity kept the amount of material limited to micromole amounts, spectra of the highly luminescent complexes showed significant emission peak shifts between the different complexes, consistent with ligand field effects previously observed in luminescence spectra.

  11. Structure, electronic properties, and aggregation behavior of hydroxylated carbon nanotubes

    SciTech Connect

    López-Oyama, A. B.; Silva-Molina, R. A.; Ruíz-García, J.; Guirado-López, R. A.; Gámez-Corrales, R.

    2014-11-07

    We present a combined experimental and theoretical study to analyze the structure, electronic properties, and aggregation behavior of hydroxylated multiwalled carbon nanotubes (OH–MWCNT). Our MWCNTs have average diameters of ∼2 nm, lengths of approximately 100–300 nm, and a hydroxyl surface coverage θ∼0.1. When deposited on the air/water interface the OH–MWCNTs are partially soluble and the floating units interact and link with each other forming extended foam-like carbon networks. Surface pressure-area isotherms of the nanotube films are performed using the Langmuir balance method at different equilibration times. The films are transferred into a mica substrate and atomic force microscopy images show that the foam like structure is preserved and reveals fine details of their microstructure. Density functional theory calculations performed on model hydroxylated carbon nanotubes show that low energy atomic configurations are found when the OH groups form molecular islands on the nanotube's surface. This patchy behavior for the OH species is expected to produce nanotubes having reduced wettabilities, in line with experimental observations. OH doping yields nanotubes having small HOMO–LUMO energy gaps and generates a nanotube → OH direction for the charge transfer leading to the existence of more hole carriers in the structures. Our synthesized OH–MWCNTs might have promising applications.

  12. Early Readers and Electronic Texts: CD-ROM Storybook Features That Influence Reading Behaviors

    ERIC Educational Resources Information Center

    Lefever-Davis, Shirley; Pearman, Cathy

    2005-01-01

    This research explores the impact of CD-ROM storybook features on the reading behaviors of 6- and 7-year-old students with limited exposure to CD-ROM storybooks. Six categories of behaviors were identified: tracking, electronic feature dependency, distractibility, spectator stance, electronic feature limitations, and electronic features as tools.…

  13. (39)K NMR and EPR study of multiferroic K(3)Fe(5)F(15).

    PubMed

    Blinc, R; Zalar, B; Cevc, P; Gregorovič, A; Zemva, B; Tavčar, G; Laguta, V; Scott, J F; Dalal, N

    2009-01-28

    (39)K NMR spectra and relaxation times of polycrystalline K(3)Fe(5)F(15) have been used as a microscopic detector of the local magnetic fields at the magnetic transition at T(N) = 123 K. The NMR lineshape widens abruptly upon crossing T(N) due to the onset of internal magnetic fields, while we find no significant lineshift. The paraelectric to ferroelectric transition at T(c) = 490 K and the magnetic transition at T(N) have also been studied using X-band EPR (electron paramagnetic resonance). An increase and subsequent decrease in the EPR susceptibilities is observed on approaching T(N) from above. There is also a significant increase in the linewidth. At the same time the g-factor first decreases and then increases with decreasing temperature. The local magnetic field is different at different K sites and is much smaller than the magnetic field around the Fe sites. This seems to be consistent with the behaviour of a weak ferrimagnet. The ferrimagnetism does not seem to be due to spin canting as the lattice is disordered, but may arise from thermal blocking of superparamagnetic percolation clusters. The ferroelectric transition at T(c) shows no electronic anomaly, demonstrating that we are dealing with a classical phonon anomaly as found in conventional oxides rather than an electronic transition.

  14. Pharmacology of Indole and Indazole Synthetic Cannabinoid Designer Drugs AB-FUBINACA, ADB-FUBINACA, AB-PINACA, ADB-PINACA, 5F-AB-PINACA, 5F-ADB-PINACA, ADBICA, and 5F-ADBICA.

    PubMed

    Banister, Samuel D; Moir, Michael; Stuart, Jordyn; Kevin, Richard C; Wood, Katie E; Longworth, Mitchell; Wilkinson, Shane M; Beinat, Corinne; Buchanan, Alexandra S; Glass, Michelle; Connor, Mark; McGregor, Iain S; Kassiou, Michael

    2015-09-16

    Synthetic cannabinoid (SC) designer drugs based on indole and indazole scaffolds and featuring l-valinamide or l-tert-leucinamide side chains are encountered with increasing frequency by forensic researchers and law enforcement agencies and are associated with serious adverse health effects. However, many of these novel SCs are unprecedented in the scientific literature at the time of their discovery, and little is known of their pharmacology. Here, we report the synthesis and pharmacological characterization of AB-FUBINACA, ADB-FUBINACA, AB-PINACA, ADB-PINACA, 5F-AB-PINACA, 5F-ADB-PINACA, ADBICA, 5F-ADBICA, and several analogues. All synthesized SCs acted as high potency agonists of CB1 (EC50 = 0.24-21 nM) and CB2 (EC50 = 0.88-15 nM) receptors in a fluorometric assay of membrane potential, with 5F-ADB-PINACA showing the greatest potency at CB1 receptors. The cannabimimetic activities of AB-FUBINACA and AB-PINACA in vivo were evaluated in rats using biotelemetry. AB-FUBINACA and AB-PINACA dose-dependently induced hypothermia and bradycardia at doses of 0.3-3 mg/kg, and hypothermia was reversed by pretreatment with a CB1 (but not CB2) antagonist, indicating that these SCs are cannabimimetic in vivo, consistent with anecdotal reports of psychoactivity in humans.

  15. Inhibitory effect of 5F on development of lung cancer in A/J mice

    PubMed Central

    Ye, Hua; Yang, Xiaoqing; Wu, Kefeng; Li, Li; Lv, Yingnian; Liu, Yi; Zheng, Xuebao

    2015-01-01

    The purpose of the study is to investigate the effect of ent-11α-hydroxy-15-oxo-kaur-16-en-19-oic-acid (5F) on the model of induced A/J mice lung cancer in A/J mice. The expressions of tumor-related molecules including P65 and Bcl-2 at protein level were examined using the immunohistochemical method (IHC). Side effects of 5F were also monitored. The results indicated that 5F significantly suppressed the development of B[a]P and NNK-induced lung cancer in vivo by facilitating cell apoptosis with minimal side effects. Compared to the expressions of P65 and Bcl-2 in model group, the levels were strongly attenuated both in blank and 5F injection groups. Moreover, P65 and Bcl-2 levels varied among different groups receiving 5F treatment. The expressions of P65 and Bcl-2 were much lower in groups receiving high-concentration 5F treatment than those with low-concentration 5F injection. Findings revealed that 5F inhibited the pathogenesis of lung cancer through accelerating apoptosis in a dose-dependent manner. PMID:26097604

  16. Magnetic and superconducting quantum critical behavior of itinerant electronic systems

    NASA Astrophysics Data System (ADS)

    Sknepnek, Rastko

    Quantum phase transitions occur at zero temperature as a function of some non-thermal parameter, e.g., pressure or chemical composition. In addition to being of fundamental interest, quantum phase transitions are important because they are believed to underlie a number of interesting low temperature phenomena. Quantum phase transitions differ from the classical phase transitions in many important aspects, two of them being (i) the mode-coupling effects and (ii) the behavior in the presence of disorder. We devote two projects of this dissertation to each of the two. First, we investigate the quantum phase transition of itinerant electrons from a paramagnet to a state which displays long-period helical structures due to a Dzyaloshinskii instability of the ferromagnetic state. In particular, we study how the self generated effective long-range interaction recently identified in itinerant quantum ferromagnets is cut-off by the helical ordering. Second, we discuss a quantum phase transition between a disordered metal and an exotic (non-s-wave) superconductor. Like in the case of ferromagnetic quantum phase transition mode coupling effects lead to an effective long-range interaction between the anomalous density fluctuations. We find that the asymptotic critical region is characterized by run-away flow to large disorder. However, for weak coupling, this region is very narrow, and it is preempted by a wide crossover regime with mean-field critical behavior. Then, we present results of large-scale Monte Carlo simulations for a 3d Ising model with short range interactions and planar defects. We show that the phase transition in this system is smeared, i.e., there is no single critical temperature, but different parts of the system order at different temperatures. Our Monte-Carlo results are in good agreement with a recent theory. Finally, we present large-scale Monte-Carlo simulations of a 2d bilayer quantum Heisenberg antiferromagnet with random dimer dilution. In contrast

  17. Using Electronic and Other New Ways To Help Students Improve Their Behavior: Functional Behavioral Assessment at Work.

    ERIC Educational Resources Information Center

    Condon, Kim A.; Tobin, Tary J.

    2001-01-01

    This article presents two case examples to demonstrate how teachers can use functional behavioral assessment (FBA) to design behavior support plans. FBA helps a second grade "class clown" to learn new ways to get attention and a first grade "class lawyer" to learn to stop arguing and stay on task (with the help of an electronic record keeping…

  18. Pou5f1-dependent EGF expression controls E-cad endocytosis, cell adhesion, and zebrafish epiboly movements

    PubMed Central

    Song, Sungmin; Eckerle, Stephanie; Onichtchouk, Daria; Marrs, James A.; Nitschke, Roland; Driever, Wolfgang

    2013-01-01

    Summary Initiation of motile cell behavior in embryonic development occurs during late blastula stages when gastrulation begins. At this stage, the strong adhesion of blastomeres has to be modulated to enable dynamic behavior, similar to epithelial-to-mesenchymal transitions. We show that in zebrafish MZspg embryos mutant for the stem cell transcription factor Pou5f1/Oct4, which are severely delayed in the epiboly gastrulation movement, all blastomeres are defective in E-cad endosomal trafficking and E-cad accumulates at the plasma membrane. We find that Pou5f1-dependent control of EGF expression regulates endosomal E-cad trafficking. EGFR may act via modulation of p120 activity. Loss of E-cad dynamics reduces cohesion of cells in reaggregation assays. Quantitative analysis of cell behavior indicates that dynamic E-cad endosomal trafficking is required for epiboly cell movements. We hypothesize that dynamic control of E-cad trafficking is essential to effectively generate new adhesion sites when cells move relative to each other. PMID:23484854

  19. Quasi-relativistic SCF X. cap alpha. study of octahedral 5f/sup 1/ complexes

    SciTech Connect

    Thornton, G.; Roesch, N.; Edelstein, N.

    1980-05-01

    Quasi-relativistic SCF X..cap alpha.. calculations have been carried out for the octahedral 5f/sup 1/ complexes Pa/sup IV/X/sub 6//sup 2 -/, U/sup V/X/sub 6//sup -/(X = F, Cl, Br, I), and Np/sup VI/F/sub 6/. The 5f ..-->.. 5f excitation energies calculated by using the transition-state method agree well with the available absorption spectra. Ionic effects appear to dominate the trends observed in the f-orbital ligand field splitting.

  20. Launch mission summary: Intelsat 5 (F3) Atlas/Centaur-55

    NASA Technical Reports Server (NTRS)

    1981-01-01

    Intelsat 5 (F3) spacecraft, launch vehicle, and mission are described. Information relative to launch windows, flight plan, radar and telemetry coverage, selected trajectory information, and a brief sequence of flight events is provided.

  1. The Behavior of Thin Dielectrics Under Electron Irradiation

    DTIC Science & Technology

    1980-03-01

    occurred if a dielectric sheet was pre- sent in the chamber under vacuum . (The original experiments will be discussed in detail shortly.) This...breakdown through the dielectric, surface flashover , and ion production. However, the responsi- ble mechanism was not identified. The behavior of...one of the principal surface materials used in satellites. As such, their behavior is of concern in SGEMP (system- generated electromagnetic pulse

  2. Analyzing the User Behavior toward Electronic Commerce Stimuli.

    PubMed

    Lorenzo-Romero, Carlota; Alarcón-Del-Amo, María-Del-Carmen; Gómez-Borja, Miguel-Ángel

    2016-01-01

    Based on the Stimulus-Organism-Response paradigm this research analyzes the main differences between the effects of two types of web technologies: Verbal web technology (i.e., navigational structure as utilitarian stimulus) versus non-verbal web technology (music and presentation of products as hedonic stimuli). Specific webmosphere stimuli have not been examined yet as separate variables and their impact on internal and behavioral responses seems unknown. Therefore, the objective of this research consists in analyzing the impact of these web technologies -which constitute the web atmosphere or webmosphere of a website- on shopping human behavior (i.e., users' internal states -affective, cognitive, and satisfaction- and behavioral responses - approach responses, and real shopping outcomes-) within the retail online store created by computer, taking into account some mediator variables (i.e., involvement, atmospheric responsiveness, and perceived risk). A 2 ("free" versus "hierarchical" navigational structure) × 2 ("on" versus "off" music) × 2 ("moving" versus "static" images) between-subjects computer experimental design is used to test empirically this research. In addition, an integrated methodology was developed allowing the simulation, tracking and recording of virtual user behavior within an online shopping environment. As main conclusion, this study suggests that the positive responses of online consumers might increase when they are allowed to freely navigate the online stores and their experience is enriched by animate gifts and music background. The effect caused by mediator variables modifies relatively the final shopping human behavior.

  3. Low-energy behavior of exothermic dissociative electron attachment

    NASA Astrophysics Data System (ADS)

    Fabrikant, Ilya I.; Hotop, Hartmut

    2001-02-01

    We discuss two models for electron attachment to molecules: the Vogt-Wannier model for capture into a polarization well and the resonance model for dissociative attachment. The Vogt-Wannier model is generalized for the case of a target with a permanent dipole moment, and results are presented for dissociative attachment to CH3I. It is shown that the resonance theory should incorporate in this case a weakly bound dipole-supported state of CH3I-, whereas the generalized Vogt-Wannier theory gives a reasonable estimate for the cross section in the meV and sub-meV region. The Vogt-Wannier model is also applied to the process of attachment to SF6, CCl4, and C60. In the first case the s-wave capture model provides a satisfactory description of the experimental data for energies below the first vibrational excitation threshold, whereas for CCl4 it underestimates the attachment cross section by a factor of 2 in the sub-meV region. For C60 we suggest that electron attachment is dominated by s-wave capture in the region below 2 meV and by p-wave capture in the energy range above 4 meV. Our model reproduces data for Rydberg electron and free-electron attachment observed in beam experiments. It is, however, at variance with the strong rise of the attachment rate coefficients with electron temperature observed in flowing afterglow-Langmuir probe measurements.

  4. A Model of Price Search Behavior in Electronic Marketplace.

    ERIC Educational Resources Information Center

    Jiang, Pingjun

    2002-01-01

    Discussion of online consumer behavior focuses on the development of a conceptual model and a set of propositions to explain the main factors influencing online price search. Integrates the psychological search literature into the context of online searching by incorporating ability and cost to search for information into perceived search…

  5. Analyzing the User Behavior toward Electronic Commerce Stimuli

    PubMed Central

    Lorenzo-Romero, Carlota; Alarcón-del-Amo, María-del-Carmen; Gómez-Borja, Miguel-Ángel

    2016-01-01

    Based on the Stimulus-Organism-Response paradigm this research analyzes the main differences between the effects of two types of web technologies: Verbal web technology (i.e., navigational structure as utilitarian stimulus) versus non-verbal web technology (music and presentation of products as hedonic stimuli). Specific webmosphere stimuli have not been examined yet as separate variables and their impact on internal and behavioral responses seems unknown. Therefore, the objective of this research consists in analyzing the impact of these web technologies –which constitute the web atmosphere or webmosphere of a website– on shopping human behavior (i.e., users’ internal states -affective, cognitive, and satisfaction- and behavioral responses – approach responses, and real shopping outcomes-) within the retail online store created by computer, taking into account some mediator variables (i.e., involvement, atmospheric responsiveness, and perceived risk). A 2 (“free” versus “hierarchical” navigational structure) × 2 (“on” versus “off” music) × 2 (“moving” versus “static” images) between-subjects computer experimental design is used to test empirically this research. In addition, an integrated methodology was developed allowing the simulation, tracking and recording of virtual user behavior within an online shopping environment. As main conclusion, this study suggests that the positive responses of online consumers might increase when they are allowed to freely navigate the online stores and their experience is enriched by animate gifts and music background. The effect caused by mediator variables modifies relatively the final shopping human behavior. PMID:27965549

  6. Uranium trioxide behavior during electron energy loss spectroscopy analysis

    NASA Astrophysics Data System (ADS)

    Degueldre, Claude; Alekseev, Evgeny V.

    2015-03-01

    A sample of uranium trioxide (UO3) was produced by focused ion beam (~10 μm×~10 μm×<0.5 μm) for transmission electron and electron energy loss (EEL) spectroscopy examinations in a transmission electron microscope (TEM). The EEL spectra were recorded as a function of the thickness for the P and O edges in the low energy range 0-350 eV and were compared to spectra of UO3 small grains attached to a TEM grid. The EEL spectrum was studied through a range of thicknesses going from ~60 to ~260 nm. The EEL spectra recorded for UO3 are compared with those recorded for UO2. The reduction of UO3 into U4O9 and/or UO2 is readily observed apparently during the TEM investigations and as confirmed by electron diffraction (eD). This redox effect is similar to that known for other redox sensitive oxides. Recommendations are suggested to avoid sample decomposition.

  7. Information Seeking Behavior of Scientists in the Electronic Information Age: Astronomers, Chemists, Mathematicians, and Physicists.

    ERIC Educational Resources Information Center

    Brown, Cecelia M.

    1999-01-01

    Assessed the information-seeking behavior of scientists at the University of Oklahoma using an electronically distributed questionnaire, a copy of which is appended. Results indicate a preference for printed peer-reviewed journal articles and the need for libraries to provide access to electronic bibliographic databases. Appendix II lists…

  8. Breakdown of adiabatic electron behavior in expanding magnetic fields

    NASA Astrophysics Data System (ADS)

    Lichko, Emily; Egedal, Jan; Daughton, William

    2015-11-01

    During magnetic reconnection the incoming magnetic flux tubes expand in the inflow region. If this expansion is sufficiently slow the results are well described by a previously developed adiabatic model. Using kinetic simulations in a simple geometry and applying rapid magnetic perturbations, this study investigates the point at which the adiabatic assumption fails. To this end a 2D VPIC simulation was constructed, where the magnetic field in a uniform plasma is perturbed by externally driven currents. By varying the onset speed of the magnetic perturbation and the electron thermal speed, we found a sharp threshold at which this model breaks down. We believe that this point is determined by the time of the magnetic pumping compared to the electron transit time through the region, i.e. ω ~ Ḃ / B ~vthe / L . This threshold was also characterized by the launching of Whistler waves and with time domain structures, such as electron holes and double layers, which agree with those seen during magnetic reconnection and may relate to similar structures in the Van Allen Belts. NSF GEM award 1405166 and NASA grant NNX14AC68G.

  9. The roles of 4f- and 5f-orbitals in bonding: A magnetochemical, crystal field, density functional theory, and multi-reference wavefunction study

    SciTech Connect

    Lukens, Wayne W.; Speldrich, Manfred; Yang, Ping; Duignan, T. J.; Autschbach, J.; Kogerler, P.

    2016-05-31

    The electronic structures of 4f3/5f3 Cp"3M and Cp"3M·alkylisocyanide complexes, where Cp" is 1,3-bis-(trimethylsilyl)cyclopentadienyl, are explored with a focus on the splitting of the f-orbitals, which provides information about the strengths of the metal–ligand interactions. While the f-orbital splitting in many lanthanide complexes has been reported in detail, experimental determination of the f-orbital splitting in actinide complexes remains rare in systems other than halide and oxide compounds, since the experimental approach, crystal field analysis, is generally significantly more difficult for actinide complexes than for lanthanide complexes. In this study, a set of analogous neodymium(III) and uranium(III) tris-cyclopentadienyl complexes and their isocyanide adducts was characterized by electron paramagnetic resonance (EPR) spectroscopy and magnetic susceptibility. The crystal field model was parameterized by combined fitting of EPR and susceptibility data, yielding an accurate description of f-orbital splitting. The isocyanide derivatives were also studied using density functional theory, resulting in f-orbital splitting that is consistent with crystal field fitting, and by multi-reference wavefunction calculations that support the electronic structure analysis derived from the crystal-field calculations. The results highlight that the 5f-orbitals, but not the 4f-orbitals, are significantly involved in bonding to the isocyanide ligands. The main interaction between isocyanide ligand and the metal center is a σ-bond, with additional 5f to π* donation for the uranium complexes. As a result, while interaction with the isocyanide π*-orbitals lowers the energies of the 5fxz2 and 5fyz2-orbitals, spin–orbit coupling greatly reduces the population of 5fxz2 and 5fyz2 in the ground state.

  10. Self-assembly of a 3d-5f trinuclear single-molecule magnet from a pentavalent uranyl complex.

    PubMed

    Chatelain, Lucile; Walsh, James P S; Pécaut, Jacques; Tuna, Floriana; Mazzanti, Marinella

    2014-12-01

    Mixed-metal uranium compounds are very attractive candidates in the design of single-molecule magnets (SMMs), but only one 3d-5f hetero-polymetallic SMM containing a uranium center is known. Herein, we report two trimeric heterodimetallic 3d-5f complexes self-assembled by cation-cation interactions between a uranyl(V) complex and a TPA-capped M(II)  complex (M=Mn (1), Cd (2); TPA=tris(2-pyridylmethyl)amine). The metal centers were strategically chosen to promote the formation of discrete molecules rather than extended chains. Compound 1, which contains an almost linear {MnOUOMn} core, exhibits SMM behavior with a relaxation barrier of 81±0.5 K-the highest reported for a mono-uranium system-arising from intramolecular Mn-U exchange interactions combined with the high Ising anisotropy of the uranyl(V) moiety. Compound 1 also exhibits an open magnetic hysteresis loop at temperatures less than 3 K, with a significant coercive field of 1.9 T at 1.8 K.

  11. Fundamental Electronic Structure Characteristics and Mechanical Behavior of Aerospace Materials

    DTIC Science & Technology

    2008-04-01

    P.L. Martin, D.B. Miracle , R. Wagner, and M. Yamaguchi, TMS, Warrendale, 1997, p. 805. [12]G. Bruno, G. Schumacher, H.C. Pinto, and C. Schulze...Engineering A, Vol. 170, pp. 67-85 (1993). [41] M.J. Mills and D.B. Miracle , Acta Materialia, Vol. 41, pp. 85-95 (1993). [42] M. Wittmann and 1...Meeting, March 12-16, 2006, San Antonio, TX. 17. "First-principles study of the Hume -Rothery electron concentration rule in AI-Cu- (Fe,Ru)-Si 1/1-cubic

  12. Dynamic behavior of ion acoustic waves in electron-positron-ion magnetoplasmas with superthermal electrons and positrons

    SciTech Connect

    Saha, Asit E-mail: prasantachatterjee1@rediffmail.com; Pal, Nikhil; Chatterjee, Prasanta E-mail: prasantachatterjee1@rediffmail.com

    2014-10-15

    The dynamic behavior of ion acoustic waves in electron-positron-ion magnetoplasmas with superthermal electrons and positrons has been investigated in the framework of perturbed and non-perturbed Kadomtsev-Petviashili (KP) equations. Applying the reductive perturbation technique, we have derived the KP equation in electron-positron-ion magnetoplasma with kappa distributed electrons and positrons. Bifurcations of ion acoustic traveling waves of the KP equation are presented. Using the bifurcation theory of planar dynamical systems, the existence of the solitary wave solutions and the periodic traveling wave solutions has been established. Two exact solutions of these waves have been derived depending on the system parameters. Then, using the Hirota's direct method, we have obtained two-soliton and three-soliton solutions of the KP equation. The effect of the spectral index κ on propagations of the two-soliton and the three-soliton has been shown. Considering an external periodic perturbation, we have presented the quasi periodic behavior of ion acoustic waves in electron-positron-ion magnetoplasmas.

  13. Runaway electron behavior in the Frascati Tokamak Upgrade (FTU)

    NASA Astrophysics Data System (ADS)

    Popovic, Zana; Martin-Solis, Jose Ramon; Esposito, Basilio; Marocco, Daniele; Causa, Federica; Buratti, Paolo; Boncagni, Luca; Carnevale, Daniele; Gospodarczyk, Mateusz

    2016-10-01

    Several recent experiments in the FTU tokamak are dedicated to the study of runaway electrons (RE), both in the flattop and disruption phases of the discharge. Experiments have been carried out to evaluate the threshold electric field for RE generation during the flattop of ohmic discharges. The measured threshold electric field during RE electron generation and suppression experiments for a wide range of plasma parameters is found to be 2-5 times larger than predicted by the relativistic collisional theory, ER = nee3ln Λ/4 πɛ02 mec2, and is consistent with an increase of the critical field due to the RE synchrotron radiation. Runaway evolution has been numerically simulated using a test particle model including toroidal electric field acceleration, collisions and synchrotron radiation losses. Estimates of RE energy distribution are consistent with the measurements of two recently installed RE diagnostics: HXR-camera and RE Imaging and Spectroscopy (REIS) system. Supported by MINECO (Spain), Projects ENE2012-31753.

  14. Modifying Students' Classroom Behaviors Using an Electronic Daily Behavior Report Card

    ERIC Educational Resources Information Center

    Williams, Kashunda L.; Noell, George H.; Jones, Beth A.; Gansle, Kristin A.

    2012-01-01

    This study examined the effects of e-mailed daily behavior report cards (DBRC) on students' disruptive classroom behaviors. Additionally, teacher acceptability of e-mailed DBRC as an intervention was assessed. Participants included 46 elementary students (37 males and 9 females), that were assigned to one of three conditions; delayed treatment…

  15. Peculiarities of laser phase behavior associated with the accelerated electron in a chirped laser pulse

    SciTech Connect

    Song, Q.; Wu, X. Y.; Wang, J. X.; Kawata, S.; Wang, P. X.

    2014-05-15

    In this paper, we qualitatively analyzed peculiarities of laser phase behavior associated with the accelerated electron in a chirped laser pulse. We unveiled the relationship between the changes in the orientation of the electron trajectory and the cusps in magnitude of the phase velocity of the optical field along the electron trajectory in a chirped laser pulse. We also explained how the chirp effect induced the singular point of the phase velocity. Finally, we discussed the phase velocity and phase witnessed by the electron in the particle's moving instantaneous frame.

  16. Electronic structure of delta-Pu and PuCoGa[sub 3] from photoemission and the mixed level model

    SciTech Connect

    Joyce, J. J.; Wills, J. M.; Durakiewicz, T.; Butterfield, M. T.; Guziewicz, E.; Sarrao, John L.,; Arko, A. J.; Moore, D. P.; Morales, L. A.; Eriksson, O.

    2004-01-01

    The electronic structure of {delta}-phase Pu metal and the Pu-based superconductor PuCoGa{sub 5} is explored using photoelectron spectroscopy and a novel theoretical scheme. Excellent agreement between calculation and experiment defines a path forward for understanding electronic structure aspects of Pu-based materials. The photoemission results show two separate regions of 5f electron spectral intensity, one at the Fermi energy and another centered 1.2 eV below the Fermi level. A comparison is made between the photoemission data and five computational schemes for {delta}-Pu. The results for {delta}-Pu and PuCoGa{sub 5} indicate 5f electron behavior on the threshold between localized and itinerant and a broader framework for understanding the fundamental electronic properties of the Pu 5f levels in general within two configurations, one localized and one itinerant.

  17. Sac2/INPP5F is an inositol 4-phosphatase that functions in the endocytic pathway.

    PubMed

    Nakatsu, Fubito; Messa, Mirko; Nández, Ramiro; Czapla, Heather; Zou, Yixiao; Strittmatter, Stephen M; De Camilli, Pietro

    2015-04-13

    The recruitment of inositol phosphatases to endocytic membranes mediates dephosphorylation of PI(4,5)P2, a phosphoinositide concentrated in the plasma membrane, and prevents its accumulation on endosomes. The importance of the conversion of PI(4,5)P2 to PtdIns during endocytosis is demonstrated by the presence of both a 5-phosphatase and a 4-phosphatase (Sac domain) module in the synaptojanins, endocytic PI(4,5)P2 phosphatases conserved from yeast to humans and the only PI(4,5)P2 phosphatases in yeast. OCRL, another 5-phosphatase that couples endocytosis to PI(4,5)P2 dephosphorylation, lacks a Sac domain. Here we show that Sac2/INPP5F is a PI4P phosphatase that colocalizes with OCRL on endocytic membranes, including vesicles formed by clathrin-mediated endocytosis, macropinosomes, and Rab5 endosomes. An OCRL-Sac2/INPP5F interaction could be demonstrated by coimmunoprecipitation and was potentiated by Rab5, whose activity is required to recruit Sac2/INPP5F to endosomes. Sac2/INPP5F and OCRL may cooperate in the sequential dephosphorylation of PI(4,5)P2 at the 5 and 4 position of inositol in a partnership that mimics that of the two phosphatase modules of synaptojanin.

  18. 48 CFR 47.303-5 - F.o.b. origin, with differentials.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 48 Federal Acquisition Regulations System 1 2010-10-01 2010-10-01 false F.o.b. origin, with... CONTRACT MANAGEMENT TRANSPORTATION Transportation in Supply Contracts 47.303-5 F.o.b. origin, with differentials. (a) Explanation of delivery term. F.o.b. origin, with differentials means— (1) Free of expense...

  19. 48 CFR 47.303-5 - F.o.b. origin, with differentials.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 48 Federal Acquisition Regulations System 1 2011-10-01 2011-10-01 false F.o.b. origin, with... CONTRACT MANAGEMENT TRANSPORTATION Transportation in Supply Contracts 47.303-5 F.o.b. origin, with differentials. (a) Explanation of delivery term. F.o.b. origin, with differentials means— (1) Free of expense...

  20. 26 CFR 5f.103-2 - Public approval of industrial development bonds.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 26 Internal Revenue 14 2011-04-01 2010-04-01 true Public approval of industrial development bonds... RESPONSIBILITY ACT OF 1982 § 5f.103-2 Public approval of industrial development bonds. (a) General rule. An industrial development bond (within the meaning of § 1.103-7(b)(1) issued after December 31, 1982, shall...

  1. 26 CFR 5f.103-2 - Public approval of industrial development bonds.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 26 Internal Revenue 14 2010-04-01 2010-04-01 false Public approval of industrial development bonds... RESPONSIBILITY ACT OF 1982 § 5f.103-2 Public approval of industrial development bonds. (a) General rule. An industrial development bond (within the meaning of § 1.103-7(b)(1) issued after December 31, 1982, shall...

  2. POU5F1 isoforms show different expression patterns in human embryonic stem cells and preimplantation embryos.

    PubMed

    Cauffman, Greet; Liebaers, Inge; Van Steirteghem, André; Van de Velde, Hilde

    2006-12-01

    The contribution of the POU domain, class 5, transcription factor-1 (POU5F1) in maintaining totipotency in human embryonic stem cells (hESCs) has been repeatedly proven. In humans, two isoforms are encoded: POU5F1_iA and POU5F1_iB. So far, no discrimination has been made between the isoforms in POU5F1 studies, and it is unknown which isoform contributes to the undifferentiated phenotype. Using immunocytochemistry, expression of POU5F1_iA and POU5F1_iB was examined in hESCs and all stages of human preimplantation development to look for differences in expression, biological activity, and relation to totipotency. POU5F1_iA and POU5F1_iB displayed different temporal and spatial expression patterns. During human preimplantation development, a significant POU5F1_iA expression was seen in all nuclei of compacted embryos and blastocysts and a clear POU5F1_iB expression was detected from the four-cell stage onwards in the cytoplasm of all cells. The cytoplasmic localization might imply no or other biological functions beyond transcription activation for POU5F1_iB. The stemness properties of POU5F1 can be assigned to POU5F1_iA because hESCs expressed POU5F1_iA but not POU5F1_iB. However, POU5F1_iA is not the appropriate marker to identify totipotent cells, because POU5F1_iA was also expressed in the nontotipotent trophectoderm and was not expressed in zygotes and early cleavage stage embryos, which are assumed to be totipotent. The expression pattern of POU5F1_iA may suggest that POU5F1_iA alone cannot sustain totipotency and that coexpression with other stemness factors might be the key to totipotency.

  3. Involvement of 5f-orbitals in the bonding and reactivity of organoactinide compounds: thorium(IV) and uranium(IV) bis (hydrazonato) complexes

    SciTech Connect

    Cantat, Thibault; Graves, Christopher R; Morris, David E; Kiplinger, Jaqueline L

    2008-01-01

    Migratory insertion of diphenyldiazomethane into both metal-carbon bonds of the bis(alkyl) and bis(aryl) complexes (C5Me5)2AnR2 yields the first f-element bis(hydrazonato) complexes (C5Me5)2An[2-(N,N')-R-N-NCPh2]2 [An = Th, R = CH3 (18), PhCH2 (15), Ph (16); An = U, R = CH3 (17), PhCH2 (14)], which have been characterized by a combination of spectroscopy, electrochemistry, and X-ray crystallography. The two hydrazonato ligands adopt an 2-coordination mode leading to 20-electron (for Th) and 22-electron (for U) complexes that have no transition-metal analogues. In fact, reaction of (C5H5)2Zr(CH3)2 or (C5Me5)2Hf(CH3)2 with diphenyldiazomethane is limited to the formation of the corresponding mono(hydrazonato) complex (C5R5)2M[2-(N,N')-CH3-N-NCPh2](CH3) (M = Zr, R = H or M = Hf, R = CH3). The difference in the reactivities of the group 4 metal complexes and the actinides was used as a unique platform for investigating in depth the role of 5f orbitals on the reactivity and bonding in actinide organometallic complexes. The electronic structure of the (C5H5)2M[2-(N,N')-CH3-N-NCH2]2 (M = Zr, Th, U) model complexes was studied using density functional theory (DFT) calculations and compared to experimental structural, electrochemical, and spectroscopic results. Whereas transition-metal bis(cyclopentadienyl) complexes are known to stabilize three ligands in the metallocene girdle to form saturated (C5H5)2ML3 species, in a bis(hydrazonato) system, a fourth ligand is coordinated to the metal center to give (C5H5)2ML4. DFT calculations have shown that 5f orbitals in the actinide complexes play a crucial role in stabilizing this fourth ligand by stabilizing both the s and p electrons of the two 2-coordinated hydrazonato ligands. In contrast, the stabilization of the hydrazonato ligands was found to be significantly less effective for the putative bis(hydrazonato) zirconium(IV) complex, yielding a higher energy structure. However, the difference in the reactivities of the group 4

  4. Evidence for the involvement of 5f orbitals in the bonding and reactivity of organometallic actinide compounds: thorium(IV) and uranium(IV) bis(hydrazonato) complexes.

    PubMed

    Cantat, Thibault; Graves, Christopher R; Jantunen, Kimberly C; Burns, Carol J; Scott, Brian L; Schelter, Eric J; Morris, David E; Hay, P Jeffrey; Kiplinger, Jaqueline L

    2008-12-24

    Migratory insertion of diphenyldiazomethane into both metal-carbon bonds of the bis(alkyl) and bis(aryl) complexes (C(5)Me(5))(2)AnR(2) yields the first f-element bis(hydrazonato) complexes (C(5)Me(5))(2)An[eta(2)-(N,N')-R-N-N=CPh(2)](2) [An = Th, R = CH(3) (18), PhCH(2) (15), Ph (16); An = U, R = CH(3) (17), PhCH(2) (14)], which have been characterized by a combination of spectroscopy, electrochemistry, and X-ray crystallography. The two hydrazonato ligands adopt an eta(2)-coordination mode leading to 20-electron (for Th) and 22-electron (for U) complexes that have no transition-metal analogues. In fact, reaction of (C(5)H(5))(2)Zr(CH(3))(2) or (C(5)Me(5))(2)Hf(CH(3))(2) with diphenyldiazomethane is limited to the formation of the corresponding mono(hydrazonato) complex (C(5)R(5))(2)M[eta(2)-(N,N')-CH(3)-N-N=CPh(2)](CH(3)) (M = Zr, R = H or M = Hf, R = CH(3)). The difference in the reactivities of the group 4 metal complexes and the actinides was used as a unique platform for investigating in depth the role of 5f orbitals on the reactivity and bonding in actinide organometallic complexes. The electronic structure of the (C(5)H(5))(2)M[eta(2)-(N,N')-CH(3)-N-N=CH(2)](2) (M = Zr, Th, U) model complexes was studied using density functional theory (DFT) calculations and compared to experimental structural, electrochemical, and spectroscopic results. Whereas transition-metal bis(cyclopentadienyl) complexes are known to stabilize three ligands in the metallocene girdle to form saturated (C(5)H(5))(2)ML(3) species, in a bis(hydrazonato) system, a fourth ligand is coordinated to the metal center to give (C(5)H(5))(2)ML(4). DFT calculations have shown that 5f orbitals in the actinide complexes play a crucial role in stabilizing this fourth ligand by stabilizing both the sigma and pi electrons of the two eta(2)-coordinated hydrazonato ligands. In contrast, the stabilization of the hydrazonato ligands was found to be significantly less effective for the putative bis

  5. Time-dependent behavior of a localized electron at a heterojunction boundary of graphene

    SciTech Connect

    Jang, Min S.; Kim, Hyungjun; Atwater, Harry A.; Goddard, William A.

    2010-01-01

    We develop a finite-difference time-domain(FDTD) method for simulating the dynamics of graphene electrons, denoted GraFDTD. We then use GraFDTD to study the temporal behavior of a single localized electron wave packet, showing that it exhibits optical-like dynamics including the Goos–Hänchen effect [F. Goos and H. Hänchen, Ann. Phys.436, 333 (1947)] at a heterojunction, but the behavior is quantitatively different than for electromagnetic waves. This suggests issues that must be addressed in designing graphene-based electronic devices analogous to optical devices. GraFDTD should be useful for studying such complex time-dependent behavior of a quasiparticle in graphene.

  6. Evidences for isochronous behavior in electron and ion storage for a low energy electrostatic storage ring

    NASA Astrophysics Data System (ADS)

    Spanjers, T. L.; Sullivan, M. R.; Reddish, T. J.; Hammond, P.

    2014-02-01

    The temporal width of a stored bunch of low energy (~30 eV) electrons circulating in desk-top sized passive electrostatic storage ring has been observed to be unchanging with orbit number. The storage ring has been operated with a range of asymmetric voltages for both stored electron and ion bunches with a particular focus on controllably probing the edges of stable storage regions to explore variations in the temporal widths as a function of storage time. For electron storage an operating condition is identified in which the temporal width approaches a constant value after a period of increase - isochronous behavior. Measurements using stored ions indicate similar behavior can be achieved. Possible mechanisms for the observed behavior are discussed.

  7. Can or can not? Electronic information sharing influence the participation behavior of the employees

    NASA Astrophysics Data System (ADS)

    Mohammed, M. A.; Eman, Y.; Huda, I.; Thamer, A.

    2015-12-01

    Information sharing refers to information being shared between employees inside or outside an agency, or by providing accessibility of their information and data to other agencies so as to allow effective decision making. Electronic information sharing is a key to effective government. This study is conducted to investigate the factors of electronic information sharing that influence the participation behavior so as to augment it amongst the employees in public organizations. Eleven domains of factors that are considered in this study are benefits, risk, social network, Information stewardship, information quality, trust, privacy, reciprocity. The paper proposes electronic information sharing factors in public sector to increase the participation.

  8. Can or can not? Electronic information sharing influence the participation behavior of the employees

    SciTech Connect

    Mohammed, M. A. Eman, Y. Huda, I. Thamer, A.

    2015-12-11

    Information sharing refers to information being shared between employees inside or outside an agency, or by providing accessibility of their information and data to other agencies so as to allow effective decision making. Electronic information sharing is a key to effective government. This study is conducted to investigate the factors of electronic information sharing that influence the participation behavior so as to augment it amongst the employees in public organizations. Eleven domains of factors that are considered in this study are benefits, risk, social network, Information stewardship, information quality, trust, privacy, reciprocity. The paper proposes electronic information sharing factors in public sector to increase the participation.

  9. Behavior Change Techniques Implemented in Electronic Lifestyle Activity Monitors: A Systematic Content Analysis

    PubMed Central

    Lewis, Zakkoyya H; Mayrsohn, Brian G; Rowland, Jennifer L

    2014-01-01

    Background Electronic activity monitors (such as those manufactured by Fitbit, Jawbone, and Nike) improve on standard pedometers by providing automated feedback and interactive behavior change tools via mobile device or personal computer. These monitors are commercially popular and show promise for use in public health interventions. However, little is known about the content of their feedback applications and how individual monitors may differ from one another. Objective The purpose of this study was to describe the behavior change techniques implemented in commercially available electronic activity monitors. Methods Electronic activity monitors (N=13) were systematically identified and tested by 3 trained coders for at least 1 week each. All monitors measured lifestyle physical activity and provided feedback via an app (computer or mobile). Coding was based on a hierarchical list of 93 behavior change techniques. Further coding of potentially effective techniques and adherence to theory-based recommendations were based on findings from meta-analyses and meta-regressions in the research literature. Results All monitors provided tools for self-monitoring, feedback, and environmental change by definition. The next most prevalent techniques (13 out of 13 monitors) were goal-setting and emphasizing discrepancy between current and goal behavior. Review of behavioral goals, social support, social comparison, prompts/cues, rewards, and a focus on past success were found in more than half of the systems. The monitors included a range of 5-10 of 14 total techniques identified from the research literature as potentially effective. Most of the monitors included goal-setting, self-monitoring, and feedback content that closely matched recommendations from social cognitive theory. Conclusions Electronic activity monitors contain a wide range of behavior change techniques typically used in clinical behavioral interventions. Thus, the monitors may represent a medium by which

  10. Nqrs Data for C10H5F6IO4 (Subst. No. 1206)

    NASA Astrophysics Data System (ADS)

    Chihara, H.; Nakamura, N.

    This document is part of Subvolume A `Substances Containing Ag … C10H15' of Volume 48 `Nuclear Quadrupole Resonance Spectroscopy Data' of Landolt-Börnstein - Group III `Condensed Matter'. It contains an extract of Section `3.2 Data tables' of the Chapter `3 Nuclear quadrupole resonance data' providing the NQRS data for C10H5F6IO4 (Subst. No. 1206)

  11. Pou5f3.2-induced proliferative state of embryonic cells during gastrulation of Xenopus laevis embryo.

    PubMed

    Nishitani, Eriko; Li, Chong; Lee, Jaehoon; Hotta, Hiroyo; Katayama, Yuta; Yamaguchi, Masahiro; Kinoshita, Tsutomu

    2015-12-01

    POU class V (POU-V) transcription factors play the important role in maintenance of pluripotency and cell differentiation. Pou5f3.2 (Oct25), one of Xenopus POU-V transcription factors, shows the zygotic expression prior to gastrulation. In order to know the molecular mechanism of pou5f3.2 expression at gastrula stage, we examined a responsiveness of pou5f3.2 to Nodal signaling. Animal cap assay demonstrated that Xnr2 activates the gene expression of pou5f3.2. In comparative analysis of the 5'-flanking region of pou5f3.2 between Xenopus laevis and X. tropicalis, two conserved regions were detected within the flanking region. Reporter analyses showed that one of the conserved regions contained an enhancer region, which had several Smad2/3 and FoxH1 binding motifs. ChIP assay demonstrated that Smad2 binds to the enhancer region. These results suggest that Nodal signaling induces zygotic expression of pou5f3.2 at gastrula stage. To understand a role of pou5f3.2 in gastrula embryos, morpholino oligo DNA of pou5f3.2 was injected into the lateral side of one blastomere at the 2-cell stage. The morphant embryos showed diminution of Xbra1 expression and gastrulation defect in the injection side, suggesting the essential role of pou5f3.2 at the gastrula stage. Xbra1 expression and gastrulation were also inhibited by injecting with the synthesized RNAs of pou5f3.2. Furthermore, in the pou5f3.2-injected embryo, gene expression of p27Xic1 was drastically suppressed, and the number of dividing cells increased in the injection side. These results suggest that one role of pou5f3.2 is to keep the embryonic cells in undifferentiated and proliferative state during gastrulation.

  12. Behavioral Health Providers and Electronic Health Records: An Exploratory Beliefs Elicitation and Segmentation Study

    ERIC Educational Resources Information Center

    Shank, Nancy

    2011-01-01

    The widespread adoption of electronic health records (EHRs) is a public policy strategy to improve healthcare quality and reduce accelerating health care costs. Much research has focused on medical providers' perceptions of EHRs, but little is known about those of behavioral health providers. This research was informed by the theory of reasoned…

  13. Investigation and Manipulation of Different Analog Behaviors of Memristor as Electronic Synapse for Neuromorphic Applications

    PubMed Central

    Wang, Changhong; He, Wei; Tong, Yi; Zhao, Rong

    2016-01-01

    Low-power and high-density electronic synapse is an important building block of brain-inspired systems. The recent advancement in memristor has provided an opportunity to advance electronic synapse design. However, a guideline on designing and manipulating the memristor’s analog behaviors is still lacking. In this work, we reveal that compliance current (Icomp) of electroforming process played an important role in realizing a stable analog behavior, which is attributed to the generation of conical-type conductive filament. A proper Icomp could result in a large conductance window, good stability, and low voltage analog switching. We further reveal that different pulse conditions can lead to three analog behaviors, where the conductance changes in monotonic increase, plateau after initial jump, and impulse-like shape, respectively. These behaviors could benefit the design of electronic synapse with enriched learning capabilities. This work will provide a useful guideline for designing and manipulating memristor as electronic synapses for brain-inspired systems. PMID:26971394

  14. Electronic game: A key effective technology to promote behavioral change in cancer patients.

    PubMed

    Safdari, Reza; Ghazisaeidi, Marjan; Goodini, Azadeh; Mirzaee, Mahboobeh; Farzi, Jebraeil

    2016-01-01

    Cancer diagnosis is a very unpleasant and unbelievable experience. Appropriate management and treatment of these diseases require a high degree of patient engagement. Interactive health electronic games are engaging, fun, challenging, and experiential and have the potential to change the attitude and behavior, which can improve the player's health. The use of these digital tools, as one of the most attractive and entertaining modern technologies, canem power patients, provide suitable palliative care, promote health behavior change strategies, increase patient engagement, enhance healthy lifestyle habits, improve self.management, and finally improve the quality of life of the patients. Finally, the aim of this article was to describe electronic games and their effects on the promotion of behavior change in cancer patients. In addition, this article describes categories, characteristic features, and benefits of this digital media in the lifestyle modification of cancer patients.

  15. Long range order and two-fluid behavior in heavy electron materials

    DOE PAGES

    Shirer, Kent R.; Shockley, Abigail C.; Dioguardi, Adam P.; ...

    2012-09-24

    The heavy electron Kondo liquid is an emergent state of condensed matter that displays universal behavior independent of material details. Properties of the heavy electron liquid are best probed by NMR Knight shift measurements, which provide a direct measure of the behavior of the heavy electron liquid that emerges below the Kondo lattice coherence temperature as the lattice of local moments hybridizes with the background conduction electrons. Because the transfer of spectral weight between the localized and itinerant electronic degrees of freedom is gradual, the Kondo liquid typically coexists with the local moment component until the material orders at lowmore » temperatures. The two-fluid formula captures this behavior in a broad range of materials in the paramagnetic state. In order to investigate two-fluid behavior and the onset and physical origin of different long range ordered ground states in heavy electron materials, we have extended Knight shift measurements to URu2Si2, CeIrIn5, and CeRhIn5. In CeRhIn5 we find that the antiferromagnetic order is preceded by a relocalization of the Kondo liquid, providing independent evidence for a local moment origin of antiferromagnetism. In URu2Si2 the hidden order is shown to emerge directly from the Kondo liquid and so is not associated with local moment physics. Lastly, our results imply that the nature of the ground state is strongly coupled with the hybridization in the Kondo lattice in agreement with phase diagram proposed by Yang and Pines.« less

  16. Long range order and two-fluid behavior in heavy electron materials

    SciTech Connect

    Shirer, Kent R.; Shockley, Abigail C.; Dioguardi, Adam P.; Crocker, John; Lin, Ching H.; apRoberts-Warren, Nicholas; Nisson, David M.; Klavins, Peter; Cooley, Jason C.; Yang, Yi -feng; Curro, Nicholas J.

    2012-09-24

    The heavy electron Kondo liquid is an emergent state of condensed matter that displays universal behavior independent of material details. Properties of the heavy electron liquid are best probed by NMR Knight shift measurements, which provide a direct measure of the behavior of the heavy electron liquid that emerges below the Kondo lattice coherence temperature as the lattice of local moments hybridizes with the background conduction electrons. Because the transfer of spectral weight between the localized and itinerant electronic degrees of freedom is gradual, the Kondo liquid typically coexists with the local moment component until the material orders at low temperatures. The two-fluid formula captures this behavior in a broad range of materials in the paramagnetic state. In order to investigate two-fluid behavior and the onset and physical origin of different long range ordered ground states in heavy electron materials, we have extended Knight shift measurements to URu2Si2, CeIrIn5, and CeRhIn5. In CeRhIn5 we find that the antiferromagnetic order is preceded by a relocalization of the Kondo liquid, providing independent evidence for a local moment origin of antiferromagnetism. In URu2Si2 the hidden order is shown to emerge directly from the Kondo liquid and so is not associated with local moment physics. Lastly, our results imply that the nature of the ground state is strongly coupled with the hybridization in the Kondo lattice in agreement with phase diagram proposed by Yang and Pines.

  17. Insulating Behavior of Strongly Interacting 2D Electrons in Si MOSFETs

    NASA Astrophysics Data System (ADS)

    Li, Shiqi; Sarachik, M. P.; Kravchenko, S. V.

    Experiments on low disorder strongly-interacting 2D electron systems have shown that in the absence of a magnetic field, the temperature dependence of the resistivity changes from metallic-like to insulating behavior as the electron density ns is reduced below a critical density nc. It has been shown that a metal to insulator transition also occurs in these systems for fixed electron density ns at a critical (density-dependent) in-plane magnetic field which results in complete spin polarization of the electrons. Here we report measurements of the temperature dependence of the resistivity in a high mobility Si-MOSFET sample, where in one case the insulating state is reached by reducing the electron density in zero field, and in the other case it is reached by ''quenching'' the metallic behavior with an in-plane field of 5 T. We find that the resistivity of the insulating state behaves in very similar ways for both cases, exhibiting Efros-Shklovskii variable range hopping regardless of the degree of polarization of the electron spins Work at CCNY is supported by NSF Grant DMR-1309008 and BSF Grant 2012210; for S. K. by NSF Grant DMR-1309337 and BSF Grant 2012210.

  18. Behavioral Dyscontrol Scale-Electronic Version: first examination of reliability, validity, and incremental utility.

    PubMed

    Suchy, Yana; Derbidge, Christina; Cope, Christy

    2005-02-01

    Behavioral Dyscontrol Scale (BDS) is a clinical measure previously shown to be related to frontal lobe integrity, executive abilities, and functional independence. Electronic version of the scale (BDS-EV) was developed and its reliability and validity were examined. The BDS-EV, the original BDS, and a brief battery of traditional clinical tests were administered to 55 community-dwelling adults ages 18 to 68. The results yielded high internal consistency and provided support for convergent, discriminant, and incremental validity. Overall, the results demonstrate the feasibility of converting the BDS into an electronic instrument and support continued research and development of this instrument.

  19. Cathodic Voltammetric Behavior of Pillar[5]quinone in Nonaqueous Media. Symmetry Effects on the Electron Uptake Sequence.

    PubMed

    Cheng, Beijun; Kaifer, Angel E

    2015-08-12

    The cathodic voltammetric behavior of pillar[5]quinone was investigated in dichloromethane solution. Our data show that the symmetry of the macrocycle has a pronounced effect on the electron uptake sequence. The uptake of the first five electrons follows a 2-1-2 pattern, and only a total of eight electrons could be injected into the macrocycle under our experimental conditions.

  20. Electronic, structural and transport properties of (almost) rare-earth-like actinide hydrides

    SciTech Connect

    Ward, J.W.; Cort, B.; Goldstone, J.A.; Lawson, A.C.; Cox, L.E. ); Haire, R.G. )

    1990-01-01

    By the virtue of broad-band, hybridized 5f-electron behavior, the hydride systems for Pa and U exhibit unique properties and structures, the actinide metal atoms existing in different states. A sudden change at Np to more rare-earth-like behavior implies a major change in electronic structure. There are both many parallels but also enigmas for the Np + H and Pu + H systems. Electrical resistivities are large and complex with temperature. Low-temperature structural transitions as studied by neutron diffraction help elucidate some of these effects. Phonon spectra are quite rare-earth-like, and XPS data imply a metal atom with mostly d-screened core levels. Then it is at americium, where fully localized and corelike 5f electrons are found, that we look finally for true rare-earth-like behavior, which should include a large drop in electrical resistivity. 33 refs., 7 figs., 1 tab.

  1. A multiscale method for the analysis of defect behavior in MO during electron irradiation

    SciTech Connect

    Rest, J.; Insepov, Z.; Ye, B.; Yun, D.

    2014-10-01

    In order to overcome a lack of experimental information on values for key materials properties and kinetic coefficients, a multiscale modeling approach is applied to defect behavior in irradiated Mo where key materials properties, such as point defect (vacancy and interstitial) migration enthalpies as well as kinetic factors such as dimer formation, defect recombination, and self interstitial–interstitial loop interaction coefficients, are obtained by molecular dynamics calculations and implemented into rate-theory simulations of defect behavior. The multiscale methodology is validated against interstitial loop growth data obtained from electron irradiation of pure Mo. It is shown that the observed linear behavior of the loop diameter vs. the square root of irradiation time is a direct consequence of the 1D migration of self-interstitial atoms.

  2. The roles of 4f- and 5f-orbitals in bonding: A magnetochemical, crystal field, density functional theory, and multi-reference wavefunction study

    DOE PAGES

    Lukens, Wayne W.; Speldrich, Manfred; Yang, Ping; ...

    2016-05-31

    The electronic structures of 4f3/5f3 Cp"3M and Cp"3M·alkylisocyanide complexes, where Cp" is 1,3-bis-(trimethylsilyl)cyclopentadienyl, are explored with a focus on the splitting of the f-orbitals, which provides information about the strengths of the metal–ligand interactions. While the f-orbital splitting in many lanthanide complexes has been reported in detail, experimental determination of the f-orbital splitting in actinide complexes remains rare in systems other than halide and oxide compounds, since the experimental approach, crystal field analysis, is generally significantly more difficult for actinide complexes than for lanthanide complexes. In this study, a set of analogous neodymium(III) and uranium(III) tris-cyclopentadienyl complexes and their isocyanidemore » adducts was characterized by electron paramagnetic resonance (EPR) spectroscopy and magnetic susceptibility. The crystal field model was parameterized by combined fitting of EPR and susceptibility data, yielding an accurate description of f-orbital splitting. The isocyanide derivatives were also studied using density functional theory, resulting in f-orbital splitting that is consistent with crystal field fitting, and by multi-reference wavefunction calculations that support the electronic structure analysis derived from the crystal-field calculations. The results highlight that the 5f-orbitals, but not the 4f-orbitals, are significantly involved in bonding to the isocyanide ligands. The main interaction between isocyanide ligand and the metal center is a σ-bond, with additional 5f to π* donation for the uranium complexes. As a result, while interaction with the isocyanide π*-orbitals lowers the energies of the 5fxz2 and 5fyz2-orbitals, spin–orbit coupling greatly reduces the population of 5fxz2 and 5fyz2 in the ground state.« less

  3. Quantitative imaging reveals real-time Pou5f3–Nanog complexes driving dorsoventral mesendoderm patterning in zebrafish

    PubMed Central

    Perez-Camps, Mireia; Tian, Jing; Chng, Serene C; Sem, Kai Pin; Sudhaharan, Thankiah; Teh, Cathleen; Wachsmuth, Malte; Korzh, Vladimir; Ahmed, Sohail; Reversade, Bruno

    2016-01-01

    Formation of the three embryonic germ layers is a fundamental developmental process that initiates differentiation. How the zebrafish pluripotency factor Pou5f3 (homologous to mammalian Oct4) drives lineage commitment is unclear. Here, we introduce fluorescence lifetime imaging microscopy and fluorescence correlation spectroscopy to assess the formation of Pou5f3 complexes with other transcription factors in real-time in gastrulating zebrafish embryos. We show, at single-cell resolution in vivo, that Pou5f3 complexes with Nanog to pattern mesendoderm differentiation at the blastula stage. Later, during gastrulation, Sox32 restricts Pou5f3–Nanog complexes to the ventrolateral mesendoderm by binding Pou5f3 or Nanog in prospective dorsal endoderm. In the ventrolateral endoderm, the Elabela / Aplnr pathway limits Sox32 levels, allowing the formation of Pou5f3–Nanog complexes and the activation of downstream BMP signaling. This quantitative model shows that a balance in the spatiotemporal distribution of Pou5f3–Nanog complexes, modulated by Sox32, regulates mesendoderm specification along the dorsoventral axis. DOI: http://dx.doi.org/10.7554/eLife.11475.001 PMID:27684073

  4. Platypus Pou5f1 reveals the first steps in the evolution of trophectoderm differentiation and pluripotency in mammals.

    PubMed

    Niwa, Hitoshi; Sekita, Yoko; Tsend-Ayush, Enkhjargal; Grützner, Frank

    2008-01-01

    Uterine nourishment of embryos by the placenta is a key feature of mammals. Although a variety of placenta types exist, they are all derived from the trophectoderm (TE) cell layer of the developing embryo. Egg-laying mammals (platypus and echidnas) are distinguished by a very short intrauterine embryo development, in which a simple placenta forms from TE-like cells. The Pou5f1 gene encodes a class V POU family transcription factor Oct3/4. In mice, Oct3/4 together with the highly conserved caudal-related homeobox transcription factor Cdx2, determines TE fate in pre-implantation development. In contrast to Cdx2, Pou5f1 has only been identified in eutherian mammals and marsupials, whereas, in other vertebrates, pou2 is considered to be the Pou5f1 ortholog. Here, we show that platypus and opossum genomes contain a Pou5f1 and pou2 homolog, pou2-related, indicating that these two genes are paralogues and arose by gene duplication in early mammalian evolution. In a complementation assay, we found that platypus or human Pou5f1, but not opossum or zebrafish pou2, restores self-renewal in Pou5f1-null mouse ES cells, showing that platypus possess a fully functional Pou5f1 gene. Interestingly, we discovered that parts of one of the conserved regions (CR4) is missing from the platypus Pou5f1 promoter, suggesting that the autoregulation and reciprocal inhibition between Pou5f1 and Cdx2 evolved after the divergence of monotremes and may be linked to the development of more elaborate placental types in marsupial and eutherian mammals.

  5. Health behavior modification after electron beam computed tomography and physician consultation.

    PubMed

    Schwartz, Jennifer; Allison, Mathew; Wright, C Michael

    2011-04-01

    This study aimed to determine whether participants reported altering health behaviors (physical activity, diet, and alcohol consumption) after seeing results from an electron-beam computed tomography (EBCT) scan for coronary artery calcium and reviewing these results with a physician. Clinicians attempt to motivate patients to control cardiovascular risk factors by adopting healthy behaviors and reducing harmful actions. Asymptomatic patients (N = 510) were evaluated by EBCT for the extent of coronary artery calcium. Information pertaining to demographics, health history, and lifestyle/health behaviors was obtained from each participant at the time of the EBCT scan. Patients were given their numerical calcium score, shown images of their coronary arteries, and counseled by a physician for lifestyle and medical risk modification based on their coronary artery calcium score. Approximately 6 years after the scan, participants completed a follow-up questionnaire related to lifestyle modifications. In multivariable analysis, the presence and extent of coronary artery calcium was significantly associated with beneficial health behavior modifications. Specifically, the greater a patient's coronary artery calcium score, the more likely they were to report increasing exercise (odds ratio = 1.34, P = 0.02), changing diet (odds ratio = 1.40, P < 0.01), and changing alcohol intake (odds ratio = 1.46, P = 0.05). This study suggests that seeing and being counseled on the presence and extent of coronary artery calcium is significantly associated with behavior change.

  6. Hyperglycemia induces apoptosis and p53 mobilization to mitochondria in RINm5F cells.

    PubMed

    Ortega-Camarillo, C; Guzmán-Grenfell, A M; García-Macedo, R; Rosales-Torres, A M; Avalos-Rodríguez, A; Durán-Reyes, G; Medina-Navarro, R; Cruz, M; Díaz-Flores, M; Kumate, J

    2006-01-01

    The mechanisms related to hyperglycemia-induced pancreatic beta-cell apoptosis are poorly defined. Rat insulin-producing cells (RINm5F) cultured in high glucose concentrations (30 mM) showed increased apoptosis and protein p53 translocation to mitochondria. In addition, hyperglycemia induced both the disruption of mitochondrial membrane potential (Delta psi (m)), and an increase in reactive oxygen species (ROS), as shown by fluorescence changes of JC-1 and dichlorodihydrofluorescein-diacetate (DCDHF-DA), respectively. The increased intracellular ROS by high glucose exposure was blunted by mitochondrial-function and NADPH-oxidase inhibitors. We postulate that the concomitant mobilization of p53 protein to the mitochondria and the subsequent changes on the Delta psi (m), lead to an important pancreatic beta-cell apoptosis mechanism induced by oxidative stress caused by hyperglycemia.

  7. Acute intoxication caused by synthetic cannabinoids 5F-ADB and MMB-2201: A case series.

    PubMed

    Barceló, Bernardino; Pichini, Simona; López-Corominas, Victoria; Gomila, Isabel; Yates, Christopher; Busardò, Francesco Paolo; Pellegrini, Manuela

    2017-04-01

    Synthetic cannabinoids are relatively new substances of abuse. Recently, abuse of synthetic cannabinoids has been increasingly reported in the lay press and medical literature. When new compounds are introduced, their use is initially not restricted by prohibition therefore their consumption cannot be verified by standard drug tests. The use of these compounds among adolescents and young adults is constantly growing, making it important for emergency services to be familiar with the signs and symptoms of intoxication present. Overdose and chronic use of these substances can cause adverse effects including altered mental status, tachycardia, and loss of consciousness. Here, we report five cases of acute intoxication by synthetic cannabinoids 5F-ADB and MMB-2201 with analytical confirmation.

  8. Self-Assembly of Hexanuclear Clusters of 4f and 5f Elements with Cation Specificity

    SciTech Connect

    Diwu, J.; Good, Justin J.; DiStefano, Victoria H.; Albrecht-Schmitt, Thomas E.

    2011-02-10

    Six hexanuclear clusters of 4f and 5f elements were synthesized by room-temperature slow concentration experiments. Cerium(IV), thorium(IV), and plutonium(IV) each form two different hexanuclear clusters, among which the cerium and plutonium clusters are isotypic, whereas the thorium clusters show more diversity. The change in ionic radii of approximately 0.08 Å between these different metal ions tunes the cavity size so that NH{sub 4}{sup +} (1.48 Å) has the right dimensions to assemble the cerium and plutonium clusters, whereas Cs{sup +} (1.69 Å) is necessary to assemble the thorium clusters. If these cations are not used in the reactions, only amorphous material is obtained.

  9. Structure of the parainfluenza virus 5 F protein in its metastable, prefusion conformation

    SciTech Connect

    Yin, Hsien-Sheng; Wen, Xiaolin; Paterson, Reay G.; Lamb, Robert A.; Jardetzky, Theodore S.

    2010-03-08

    Enveloped viruses have evolved complex glycoprotein machinery that drives the fusion of viral and cellular membranes, permitting entry of the viral genome into the cell. For the paramyxoviruses, the fusion (F) protein catalyses this membrane merger and entry step, and it has been postulated that the F protein undergoes complex refolding during this process. Here we report the crystal structure of the parainfluenza virus 5 F protein in its prefusion conformation, stabilized by the addition of a carboxy-terminal trimerization domain. The structure of the F protein shows that there are profound conformational differences between the pre- and postfusion states, involving transformations in secondary and tertiary structure. The positions and structural transitions of key parts of the fusion machinery, including the hydrophobic fusion peptide and two helical heptad repeat regions, clarify the mechanism of membrane fusion mediated by the F protein.

  10. Information seeking behavior of scientists in the electronic information age: Astronomers, chemists, mathematicians, and physicists

    NASA Astrophysics Data System (ADS)

    Brown, Cecelia M.

    1999-07-01

    The information seeking behavior of astronomers, chemists, mathematicians, and physicists at the University of Oklahoma was assessed using an electronically distributed questionnaire. All of the scientists surveyed relied greatly on the journal literature to support their research and creative activities. The mathematicians surveyed indicated an additional reliance on monographs, preprints, and attendance at conferences and personal communication to support their research activities. Similarly, all scientists responding scanned the latest issues of journals to keep abreast of current developments in their fields, with the mathematicians again reporting attendance at conferences and personal communication. Despite an expression by the scientists for more electronic services, the majority preferred access to journal articles in a print, rather than an electronic, form. The primary deficit in library services appeared to be in access to electronic bibliographic databases. The data suggest that a primary goal of science libraries is to obtain access to as many appropriate electronic bibliographic finding aids and databases possible. Although the results imply the ultimate demise of the printed bibliographic reference tool, they underscore the continued importance to scientists of the printed peer-reviewed journal article.

  11. Understanding catalyst behavior during in situ heating through simultaneous secondary and transmitted electron imaging

    NASA Astrophysics Data System (ADS)

    Howe, Jane Y.; Allard, Lawrence F.; Bigelow, Wilbur C.; Demers, Hendrix; Overbury, Steven H.

    2014-11-01

    By coupling techniques of simultaneous secondary (SE) and transmitted electron (TE) imaging at high resolution in a modern scanning transmission electron microscope (STEM), with the ability to heat specimens using a highly stable MEMS-based heating platform, we obtained synergistic information to clarify the behavior of catalysts during in situ thermal treatments. Au/iron oxide catalyst 'leached' to remove surface Au was heated to temperatures as high as 700°C. The Fe2O3 support particle structure tended to reduce to Fe3O4 and formed surface terraces; the formation, coalescence, and mobility of 1- to 2-nm particles on the terraces were characterized in SE, STEM-ADF, and TEM-BF modes. If combined with simultaneous nanoprobe spectroscopy, this approach will open the door to a new way of studying the kinetics of nano-scaled phenomena.

  12. The electronic transport behavior of hybridized zigzag graphene and boron nitride nanoribbons

    SciTech Connect

    Zhou, Yuhong; Zhang, Jianbing; Miao, Xiangshui; Zhang, Daoli; Ye, Cong

    2014-03-21

    In this present work, we have investigated the electronic transport properties of the hybridized structure constructed by the zigzag graphene and boron-nitride (BN) nanoribbons (Z-B{sub n}N{sub m}C{sub p}, n + m + p = 16) through employing nonequilibrium Green's functions in combination with the density-functional theory. The results demonstrate that the electronic transport properties of the hybridized Z-B{sub n}N{sub m}C{sub p} nanoribbons are strongly dependent on the width of boron-nitride or graphene nanoribbons. When the numbers of n and m are not equal, the negative differential resistance behavior is observed, which can be modulated by varying the width of BN nanoribbons. The conductance of the hybridized Z-B{sub n}N{sub m}C{sub p} nanoribbons with odd numbers of zigzag carbon chains also increases by the width of BN nanoribbons.

  13. High-temperature annealing effects on multiwalled carbon nanotubes: electronic structure, field emission and magnetic behaviors.

    PubMed

    Ray, Sekhar Chandra; Pao, Chih-Wen; Tsai, Huang-Ming; Chen, Huang-Chin; Chen, Yu-Shin; Wu, Shang-Lun; Ling, Dah-Chin; Lin, I-Nan; Pong, Way-Faung; Gupta, Sanju; Giorcelli, Mauro; Bianco, Stefano; Musso, Simone; Tagliaferro, Alberto

    2009-12-01

    This work elucidates the effects of high-temperature annealing on the microscopic and electronic structure of multiwalled carbon nanotubes (MWCNTs) using high-resolution transmission electron microscopy, micro-Raman spectroscopy, X-ray diffraction, X-ray absorption near-edge structure (XANES) and valence-band photoemission spectroscopy (VBPES), respectively. The field emission and magnetization behaviors are also presented. The results of annealing are as follows: (1) MWCNTs tend to align in the form of small fringes along their length, promote graphitization and be stable in air, (2) XANES indicates an enhancement in oxygen content on the sample, implying that it can be adopted for sensing and storing oxygen gas, (3) the electron field emission current density (J) is enhanced and the turn-on electric field (E(TOE)) reduced, suggesting potential use in field emission displays and as electron sources in microwave tube amplifiers and (4) as-grown MWCNTs with embedded iron nanoparticles exhibits significantly higher coercivity approximately 750 Oe than its bulk counterpart (Fe(bulk) approximately 0.9 Oe), suggesting its potential use as low-dimensional high-density magnetic recording media.

  14. Understanding and prediction of electronic-structure-driven physical behaviors in rare-earth compounds.

    PubMed

    Paudyal, Durga; Pathak, Arjun K; Pecharsky, V K; Gschneidner, K A

    2013-10-02

    Rare-earth materials, due to their unique magnetic properties, are important for fundamental and technological applications such as advanced magnetic sensors, magnetic data storage, magnetic cooling and permanent magnets. For an understanding of the physical behaviors of these materials, first principles techniques are one of the best theoretical tools to explore the electronic structure and evaluate exchange interactions. However, first principles calculations of the crystal field splitting due to intra-site electron-electron correlations and the crystal environment in the presence of exchange splitting in rare-earth materials are rarely carried out despite the importance of these effects. Here we consider rare-earth dialuminides as model systems and show that the low temperature anomalies observed in these systems are due to the variation of both exchange and crystal field splitting leading to anomalous intra-site correlated-4f and itinerant-5d electronic states near the Fermi level. From calculations supported by experiments we uncover that HoAl2 is unique among rare-earth dialuminides, in that it undergoes a cubic to orthorhombic distortion leading to a spin reorientation. Calculations of a much more extended family of mixed rare-earth dialuminides reveal an additional degree of complexity: the effective quadrupolar moment of the lanthanides changes sign as a function of lanthanide concentration, leading to a change in the sign of the anisotropy constant. At this point the quadrupolar interactions are effectively reduced to zero, giving rise to lattice instability and leading to new phenomena. This study shows a clear picture that accurate evaluation of the exchange, crystal field splitting and shape of the charge densities allows one to understand, predict and control the physical behaviors of rare-earth materials.

  15. Aryl Hydrocarbon Receptor Ligand 5F 203 Induces Oxidative Stress That Triggers DNA Damage in Human Breast Cancer Cells

    PubMed Central

    McLean, Lancelot S.; Watkins, Cheri N.; Campbell, Petreena; Zylstra, Dain; Rowland, Leah; Amis, Louisa H.; Scott, Lia; Babb, Crystal E.; Livingston, W. Joel; Darwanto, Agus; Davis, Willie L.; Senthil, Maheswari; Sowers, Lawrence C.; Brantley, Eileen

    2015-01-01

    Breast tumors often show profound sensitivity to exogenous oxidative stress. Investigational agent 2-(4-amino-3-methylphenyl)-5-fluorobenzothiazole (5F 203) induces aryl hydrocarbon receptor (AhR)-mediated DNA damage in certain breast cancer cells. Since AhR agonists often elevate intracellular oxidative stress, we hypothesize that 5F 203 increases reactive oxygen species (ROS) to induce DNA damage, which thwarts breast cancer cell growth. We found that 5F 203 induced single-strand break formation. 5F 203 enhanced oxidative DNA damage that was specific to breast cancer cells sensitive to its cytotoxic actions, as it did not increase oxidative DNA damage or ROS formation in nontumorigenic MCF-10A breast epithelial cells. In contrast, AhR agonist and procarcinogen benzo[a]pyrene and its metabolite, 1,6-benzo[a]pyrene quinone, induced oxidative DNA damage and ROS formation, respectively, in MCF-10A cells. In sensitive breast cancer cells, 5F 203 activated ROS-responsive kinases: c-Jun-N-terminal kinase (JNK) and p38 mitogen activated protein kinase (p38). AhR antagonists (alpha-naphthoflavone, CH223191) or antioxidants (N-acetyl-l-cysteine, EUK-134) attenuated 5F 203-mediated JNK and p38 activation, depending on the cell type. Pharmacological inhibition of AhR, JNK, or p38 attenuated 5F 203-mediated increases in intracellular ROS, apoptosis, and single-strand break formation. 5F 203 induced the expression of cytoglobin, an oxidative stress-responsive gene and a putative tumor suppressor, which was diminished with AhR, JNK, or p38 inhibition. Additionally, 5F 203-mediated increases in ROS production and cytoglobin were suppressed in AHR100 cells (AhR ligand-unresponsive MCF-7 breast cancer cells). Our data demonstrate 5F 203 induces ROS-mediated DNA damage at least in part via AhR, JNK, or p38 activation and modulates the expression of oxidative stress-responsive genes such as cytoglobin to confer its anticancer action. PMID:25781201

  16. Victims of Bullying and Tobacco Use Behaviors in Adolescents: Differences between Bullied at School, Electronically, or Both

    ERIC Educational Resources Information Center

    Case, Kathleen R.; Cooper, Maria; Creamer, MeLisa; Mantey, Dale; Kelder, Steven; Grossman, Beth Toby

    2016-01-01

    Background: Being a victim of bullying is associated with greater risk of youth substance use; however, research specifically examining whether tobacco use behaviors differ among adolescents who were bullied at school only, electronically only, or both at school and electronically is limited. Methods: We examined the associations between being a…

  17. Scaling behavior of electronic excitations in assemblies of molecules with degenerate ground states.

    PubMed

    Fan, H-J; Perkins, C; Ortoleva, P J

    2010-02-11

    The behavior of long space-time excitations in many-electron systems with ground state degeneracy is explored via multiscale analysis. The analysis starts with an ansatz for the wave function's dual dependence on the N-electron configuration (i.e., both by direct means and by indirect means via a set of order parameters). It is shown that a Dirac-like equation form of the wave equation emerges in the limit where the ratio epsilon (of the average nearest-neighbor distance to the characteristic length of the long-scale phenomenon of interest) is small. Examples of the long scale are the size of a quantum dot, nanotube, or wavelength of a density disturbance. The velocities in the Dirac-like equation are the transition moments of the single-particle momentum operator connecting degenerate ground states. While detailed band structure and the independent quasi-particle picture could underlie the behavior of some systems (as commonly suggested for graphene), the present scaling law results show it is not necessarily the only explanation. Rather, it can follow from the scaling properties of low-lying, long spatial scale excitations and ground state degeneracy, even in strongly interacting systems. The generality of our findings suggests graphene may be just one of many examples of Dirac-like equation behavior. A preliminary validation of our quantum scaling law for molecular arrays is presented. As our scaling law constitutes a coarse-grained wave equation, path integral or other methods derived from it hold great promise for calibration-free, long-time simulation of many-particle quantum systems.

  18. Examination of the temperature dependent electronic behavior of GeTe for switching applications

    NASA Astrophysics Data System (ADS)

    Champlain, James G.; Ruppalt, Laura B.; Guyette, Andrew C.; El-Hinnawy, Nabil; Borodulin, Pavel; Jones, Evan; Young, Robert M.; Nichols, Doyle

    2016-06-01

    The DC and RF electronic behaviors of GeTe-based phase change material switches as a function of temperature, from 25 K to 375 K, have been examined. In its polycrystalline (ON) state, GeTe behaved as a degenerate p-type semiconductor, exhibiting metal-like temperature dependence in the DC regime. This was consistent with the polycrystalline (ON) state RF performance of the switch, which exhibited low resistance S-parameter characteristics. In its amorphous (OFF) state, the GeTe presented significantly greater DC resistance that varied considerably with bias and temperature. At low biases (<1 V) and temperatures (<200 K), the amorphous GeTe low-field resistance dramatically increased, resulting in exceptionally high amorphous-polycrystalline (OFF-ON) resistance ratios, exceeding 109 at cryogenic temperatures. At higher biases and temperatures, the amorphous GeTe exhibited nonlinear current-voltage characteristics that were best fit by a space-charge limited conduction model that incorporates the effect of a defect band. The observed conduction behavior suggests the presence of two regions of localized traps within the bandgap of the amorphous GeTe, located at approximately 0.26-0.27 eV and 0.56-0.57 eV from the valence band. Unlike the polycrystalline state, the high resistance DC behavior of amorphous GeTe does not translate to the RF switch performance; instead, a parasitic capacitance associated with the RF switch geometry dominates OFF state RF transmission.

  19. Influence of cell physiological state on gene delivery to T lymphocytes by chimeric adenovirus Ad5F35

    PubMed Central

    Zhang, Wen-feng; Shao, Hong-wei; Wu, Feng-lin; Xie, Xin; Li, Zhu-Ming; Bo, Hua-Ben; Shen, Han; Wang, Teng; Huang, Shu-lin

    2016-01-01

    Adoptive transfer of genetically-modified T cells is a promising approach for treatment of both human malignancies and viral infections. Due to its ability to efficiently infect lymphocytes, the chimeric adenovirus Ad5F35 is potentially useful as an immunotherapeutic for the genetic modification of T cells. In previous studies, it was found that the infection efficiency of Ad5F35 was significantly increased without enhanced expression of the viral receptor after T cell stimulation; however, little is known about the underlying mechanism. Nonetheless, cell physiology has long been thought to affect viral infection. Therefore, we aimed to uncover the physiologic changes responsible for the increased infection efficiency of Ad5F35 following T cell stimulation. Given the complexity of intracellular transport we analyzed viral binding, entry, and escape using a Jurkat T cell model and found that both cell membrane fluidity and endosomal escape of Ad5F35 were altered under different physiological states. This, in turn, resulted in differences in the amount of virus entering cells and reaching the cytoplasm. These results provide additional insight into the molecular mechanisms underlying Ad5F35 infection of T cells and consequently, will help further the clinical application of genetically-modified T cells for immunotherapy. PMID:26972139

  20. Tunable electronic behavior in 3d transition metal doped 2H-WSe2

    NASA Astrophysics Data System (ADS)

    Liu, Shuai; Huang, Songlei; Li, Hongping; Zhang, Quan; Li, Changsheng; Liu, Xiaojuan; Meng, Jian; Tian, Yi

    2017-03-01

    Structural and electronic properties of 3d transition metal Sc, Ti, Cr and Mn incorporated 2H-WSe2 have been systematically investigated by first-principles calculations based on density functional theory. The calculated formation energies reveal that all the doped systems are thermodynamically more favorable under Se-rich condition than W-rich condition. The geometry structures almost hold that of the pristine 2H-WSe2 albeit with slight lattice distortion. More importantly, the electronic properties have been significantly tuned by the dopants, i.e., metal and semimetal behavior has been found in Sc, Ti and Mn-doped 2H-WSe2, respectively, semiconducting nature with narrowed band gap is expected in Cr-doped case, just as that of the pristine 2H-WSe2. In particular, magnetic character is realized by incorporation of Mn impurity with a total magnetic moment of 0.96 μB. Our results suggest chemical doping is an effective way to precisely tailor the electronic structure of layered transition metal dichalcogenide 2H-WSe2 for target technological applications.

  1. Pressure-induced phase transition in La1–xSmxO0.5F0.5BiS2

    DOE PAGES

    Fang, Y.; Yazici, D.; White, B. D.; ...

    2015-09-15

    Electrical resistivity measurements on La1–xSmxO0.5F0.5BiS2 (x = 0.1, 0.3, 0.6, 0.8) have been performed under applied pressures up to 2.6 GPa from 2 K to room temperature. The superconducting transition temperature Tc of each sample significantly increases at a Sm-concentration dependent pressure Pt, indicating a pressure-induced phase transition from a low-Tc to a high-Tc phase. At ambient pressure, Tc increases dramatically from 2.8 K at x = 0.1 to 5.4 K at x = 0.8; however, the Tc values at P > Pt decrease slightly with x and Pt shifts to higher pressures with Sm substitution. In the normal state,more » semiconducting-like behavior is suppressed and metallic conduction is induced with increasing pressure in all of the samples. Furthermore, these results suggest that the pressure dependence of Tc for the BiS2-based superconductors is related to the lattice parameters at ambient pressure and enable us to estimate the evolution of Tc for SmO0.5F0.5BiS2 under pressure.« less

  2. No effects of chlorophyllin on IQ (2-amino-3-methylimidazo[4,5-f]-quinoline)-genotoxicity and -DNA adduct formation in Drosophila.

    PubMed

    Negishi, Tomoe; Shinoda, Aki; Ishizaki, Nao; Hayatsu, Hikoya; Sugiyama, Chitose

    2004-02-01

    Previously we demonstrated that chlorophyllin suppressed the genotoxicities of many carcinogens. However, the genotoxicity of IQ (2-amino-3-methylimidazo[4,5-f]quinoline), a carcinogenic heterocyclic amine, was not suppressed in Drosophila. On the contrary, it has been reported that chrolophyllin suppressed the genotoxicity of IQ in rodents, rainbow trout and Salmonella. We demonstrated that the chlorophyllin-induced suppression of MeIQx (2-amino-3,8-dimethylimidazo[4,5-f]quinoxaline)-genotoxicity was associated with a decrease in MeIQx-DNA adduct formation in Drosophila larval DNA. MeIQx represents another type of heterocyclic amine and is similar to IQ in structure. In this study we utilized (32)P-postlabeling to examine whether chlorophyllin reduced IQ-DNA adduct formation in Drosophila DNA in the same way as MeIQx. The results revealed that the formation of IQ-DNA adducts was unaffected by treatment with chlorophyllin. This was consistent with the absence of any inhibitory effect on genotoxicity as observed in the Drosophila repair test. These results suggest that IQ-behavior in Drosophila is not affected by chlorophyllin, indicating that the process of IQ-DNA adduct formation followed by expression of genotoxicity in Drosophila may be different from that in other organisms.

  3. Organic molecules on metal and oxide semiconductor substrates: Adsorption behavior and electronic energy level alignment

    NASA Astrophysics Data System (ADS)

    Ruggieri, Charles M.

    Modern devices such as organic light emitting diodes use organic/oxide and organic/metal interfaces for crucial processes such as charge injection and charge transfer. Understanding fundamental physical processes occurring at these interfaces is essential to improving device performance. The ultimate goal of studying such interfaces is to form a predictive model of interfacial interactions, which has not yet been established. To this end, this thesis focuses on obtaining a better understanding of fundamental physical interactions governing molecular self-assembly and electronic energy level alignment at organic/metal and organic/oxide interfaces. This is accomplished by investigating both the molecular adsorption geometry using scanning tunneling microscopy, as well as the electronic structure at the interface using direct and inverse photoemission spectroscopy, and analyzing the results in the context of first principles electronic structure calculations. First, we study the adsorption geometry of zinc tetraphenylporphyrin (ZnTPP) molecules on three noble metal surfaces: Au(111), Ag(111), and Ag(100). These surfaces were chosen to systematically compare the molecular self-assembly and adsorption behavior on two metals of the same surface symmetry and two surface symmetries of one metal. From this investigation, we improve the understanding of self-assembly at organic/metal interfaces and the relative strengths of competing intermolecular and molecule-substrate interactions that influence molecular adsorption geometry. We then investigate the electronic structure of the ZnTPP/Au(111), Ag(111), and Ag(100) interfaces as examples of weakly-interacting systems. We compare these cases to ZnTPP on TiO2(110), a wide-bandgap oxide semiconductor, and explain the intermolecular and molecule-substrate interactions that determine the electronic energy level alignment at the interface. Finally we study tetracyanoquinodimethane (TCNQ), a strong electron acceptor, on TiO2

  4. Superconductivity in a new layered bismuth oxyselenide: LaO(0.5)F(0.5)BiSe₂.

    PubMed

    Krzton-Maziopa, A; Guguchia, Z; Pomjakushina, E; Pomjakushin, V; Khasanov, R; Luetkens, H; Biswas, P K; Amato, A; Keller, H; Conder, K

    2014-05-28

    We report superconductivity at T(c) ≈ 2.6 K in a new layered bismuth oxyselenide LaO(0.5)F(0.5)BiSe2 with the ZrCuSiAs-type structure composed of alternating superconducting BiSe2 and blocking LaO layers. The superconducting properties of LaO(0.5)F(0.5)BiSe2 were investigated by means of dc magnetization, resistivity and muon-spin rotation experiments, revealing the appearance of bulk superconductivity with a rather large superconducting volume fraction of ≈ 70% at 1.8 K.

  5. Anode-biofilm electron transfer behavior and wastewater treatment under different operational modes of bioelectrochemical system.

    PubMed

    Wu, Baoguo; Feng, Chunhua; Huang, Liqiao; Lv, Zhisheng; Xie, Daohai; Wei, Chaohai

    2014-04-01

    Anode-biofilm electron transfer behavior was investigated during the advanced wastewater treatment process by three bioelectrochemical systems (BESs): microbial fuel cell (MFC), MFC operated under short circuit condition (MSC), and microbial electrolysis cell (MEC). Under different operational modes, current produced by the anode biofilm varied from 0.92, 4.15 to 8.21mA in the sequence of MFC, MSC and MEC, respectively. The cyclic voltammetry test on the anode biofilm suggested that the current generation was achieved via various bioelectroactive species with formal potentials at -0.473, -0.402 and -0.345V (vs. SCE). Gibbs free energy and charge transfer resistance data demonstrated that different amounts of available bioelectroactive species functioned in different BESs. The comparative investigation among MFC, MSC and MEC suggested that MEC was the only feasible operational mode for advanced wastewater treatment, because of its superior current generation capability.

  6. Electronic behavior of superconducting SmFeAsO0.75

    NASA Astrophysics Data System (ADS)

    Sun, Y.; Ding, Y.; Zheng, B. C.; Shi, Z. X.; Ren, Z. A.

    2011-04-01

    High-quality polycrystalline SmFeAsO0.75 was synthesized with a superconducting transition width less than 1 K, and the electronic behavior was systematically studied by transport and specific heat measurements. An obvious superconducting jump was witnessed, together with a very small normalized superconducting jump, ΔC/γnTc ˜ 0.2, which is much smaller than expected from the BCS theory. A strong temperature-dependent Hall coefficient was found and attributed to the partial gapping of the Fermi surface up to the temperature of 160 K, which was predicted and supported by the emergence of the pseudogap. The charge-carrier density as well as the effective mass were also obtained and discussed in detail.

  7. Multiferroic Behavior in Elemental Selenium below 40 K: Effect of Electronic Topology

    NASA Astrophysics Data System (ADS)

    Pal, Anirban; Shirodkar, Sharmila N.; Gohil, Smita; Ghosh, Shankar; Waghmare, Umesh V.; Ayyub, Pushan

    2013-06-01

    The quasi-one-dimensional, chiral crystal structure of Selenium has fascinating implications: we report simultaneous magnetic and ferroelectric order in single crystalline Se microtubes below ~40 K. This is accompanied by a structural transition involving a partial fragmentation of the infinite chains without losing overall crystalline order. Raman spectral data indicate a coupling of magnons with phonons and electric field, while the dielectric constant shows a strong dependence on magnetic field. Our first-principles theoretical analysis reveals that this unexpected multiferroic behavior originates from Selenium being a weak topological insulator. It thus exhibits stable electronic states at its surface, and magnetism emerges from their spin polarization. Consequently, the broken two-fold rotational symmetry permits switchable polarization along its helical axis. We explain the observed magnetoelectric couplings using a Landau theory based on the coupling of phonons with spin and electric field. Our work opens up a new class of topological surface-multiferroics with chiral bulk structure.

  8. Dynamic rheology behavior of electron beam-irradiated cellulose pulp/NMMO solution

    NASA Astrophysics Data System (ADS)

    Zhou, Ruimin; Deng, Bangjun; Hao, Xufeng; Zhou, Fei; Wu, Xinfeng; Chen, Yongkang

    2008-08-01

    The rheological behavior of irradiated cellulose pulp solution by electron beam was investigated. Storage modulus G', loss modulus G″, the dependence of complex viscosity η* and frequency ω of cellulose solutions were measured by DSR-200 Rheometer (Rheometrics co., USA). The molecular weight of irradiated cellulose was measured via the intrinsic viscosity measurement using an Ubbelohde capillary viscometer. The crystalline structure was studied by FTIR Spectroscopy. The results congruously showed that the molecular weight of pulp cellulose decrease and the molecular weight distribution of cellulose become narrow with increase in the irradiation dose. Moreover, the crystalline structure of the cellulose was destroyed, the force of the snarl between the cellulose molecules weakens and the accessibility of pulp spinning is improved. The study supplies some useful data for spinnability of irradiated cellulose and technical data to the filature industry.

  9. Structural, electronic, mechanical, and transport properties of phosphorene nanoribbons: Negative differential resistance behavior

    NASA Astrophysics Data System (ADS)

    Maity, Ajanta; Singh, Akansha; Sen, Prasenjit; Kibey, Aniruddha; Kshirsagar, Anjali; Kanhere, Dilip G.

    2016-08-01

    Structural, electronic, mechanical, and transport properties of two different types of phosphorene nanoribbons are calculated within the density functional theory and nonequilibrium Green's function formalisms. Armchair nanoribbons turn out to be semiconductors at all widths considered. Zigzag nanoribbons are metallic in their layer-terminated structure, but undergo Peierls-like transition at the edges. Armchair nanoribbons have smaller Young's modulus compared to a monolayer, while zigzag nanoribbons have larger Young's modulus. Edge reconstruction further increases the Young's modulus of zigzag nanoribbons. A two-terminal device made of zigzag nanoribbons show negative differential resistance behavior that is robust with respect to edge reconstruction. We have also calculated the I -V characteristics for two nonzero gate voltages. The results show that the zigzag nanoribbons display strong p -type character.

  10. Materials Data on KNb4O5F (SG:123) by Materials Project

    SciTech Connect

    Kristin Persson

    2016-02-05

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  11. Materials Data on S2O5F2 (SG:114) by Materials Project

    SciTech Connect

    Kristin Persson

    2016-02-04

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  12. Materials Data on Pr2SbO5F (SG:4) by Materials Project

    SciTech Connect

    Kristin Persson

    2016-02-04

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  13. Materials Data on LiV2O5F (SG:18) by Materials Project

    DOE Data Explorer

    Kristin Persson

    2014-07-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  14. Materials Data on SrLa5F17 (SG:1) by Materials Project

    SciTech Connect

    Kristin Persson

    2014-07-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  15. Materials Data on Mn3O5F (SG:12) by Materials Project

    SciTech Connect

    Kristin Persson

    2016-04-22

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  16. Materials Data on V3O5F (SG:10) by Materials Project

    DOE Data Explorer

    Kristin Persson

    2016-04-22

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  17. Materials Data on Ba2Cu5F14 (SG:15) by Materials Project

    SciTech Connect

    Kristin Persson

    2016-02-10

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  18. Materials Data on V3O5F (SG:7) by Materials Project

    SciTech Connect

    Kristin Persson

    2016-04-22

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  19. Materials Data on Mn6O5F7 (SG:7) by Materials Project

    SciTech Connect

    Kristin Persson

    2016-04-22

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  20. Materials Data on Fe4O5F3 (SG:7) by Materials Project

    SciTech Connect

    Kristin Persson

    2016-04-22

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  1. Materials Data on CaPH4O5F (SG:2) by Materials Project

    SciTech Connect

    Kristin Persson

    2016-02-04

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  2. Materials Data on Sn2H2SO5F2 (SG:14) by Materials Project

    SciTech Connect

    Kristin Persson

    2016-03-28

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  3. Behavioral response of dissimilatory perchlorate-reducing bacteria to different electron acceptors.

    PubMed

    Sun, Yvonne; Gustavson, Ruth L; Ali, Nadia; Weber, Karrie A; Westphal, Lacey L; Coates, John D

    2009-10-01

    The response behavior of three dissimilatory perchlorate-reducing bacteria to different electron acceptors (nitrate, chlorate, and perchlorate) was investigated with two different assays. The observed response was species-specific, dependent on the prior growth conditions, and was inhibited by oxygen. We observed attraction toward nitrate when Dechloromonas aromatica strain RCB and Azospira suillum strain PS were grown with nitrate. When D. aromatica and Dechloromonas agitata strain CKB were grown with perchlorate, both responded to nitrate, chlorate, and perchlorate. When A. suillum was grown with perchlorate, the organism responded to chlorate and perchlorate but not nitrate. A gene replacement mutant in the perchlorate reductase subunit (pcrA) of D. aromatica resulted in a loss of the attraction response toward perchlorate but had no impact on the nitrate response. Washed-cell suspension studies revealed that the perchlorate grown cells of D. aromatica reduced both perchlorate and nitrate, while A. suillum cells reduced perchlorate only. Based on these observations, energy taxis was proposed as the underlying mechanism for the responses to (per)chlorate by D. aromatica. To the best of our knowledge, this study represents the first investigation of the response behavior of perchlorate-reducing bacteria to environmental stimuli. It clearly demonstrates attraction toward chlorine oxyanions and the unique ability of these organisms to distinguish structurally analogous compounds, nitrate, chlorate, and perchlorate and respond accordingly.

  4. Transmission electron microscopy and theoretical analysis of AuCu nanoparticles: atomic distribution and dynamic behavior.

    PubMed

    Ascencio, J A; Liu, H B; Pal, U; Medina, A; Wang, Z L

    2006-07-01

    Though the application of bimetallic nanoparticles is becoming increasingly important, the local atomistic structure of such alloyed particles, which is critical for tailoring their properties, is not yet very clearly understood. In this work, we present detailed study on the atomistic structure of Au-Cu nanoparticles so as to determine their most stable configurations and the conditions for obtaining clusters of different structural variants. The dynamic behavior of these nanoparticles upon local heating is investigated. AuCu nanoparticles are characterized by high resolution transmission electron microscopy (HRTEM) and energy filtering elemental composition mapping (EFECM), which allowed us to study the internal structure and the elemental distribution in the particles. Quantum mechanical approaches and classic molecular dynamics methods are applied to model the structure and to determine the lowest energy configurations, the corresponding electronic structures, and understand structural transition of clusters upon heating, supported by experimental evidences. Our theoretical results demonstrate only the core/shell bimetallic structure have negative heat of formation, both for decahedra and octahedral, and energetically favoring core/shell structure is with Au covering the core of Cu, whose reverse core/shell structure is not stable and may transform back at a certain temperature. Experimental evidences corroborate these structures and their structural changes upon heating, demonstrating the possibility to manipulate the structure of such bimetallic nanoparticles using extra stimulating energy, which is in accordance with the calculated coherence energy proportions between the different configurations.

  5. Quest for the Origin of Heavy Fermion Behavior in d-Electron Systems

    NASA Astrophysics Data System (ADS)

    Miyazaki, Masanori; Yamauchi, Ichihiro; Kadono, Ryosuke

    2016-09-01

    Spin fluctuation is presumed to be one of the key properties in understanding the microscopic origin of heavy-fermion-like behavior in the class of transition-metal compounds, including LiV2O4, Y(Sc)Mn2, and YMn2Zn20. In this review, we demonstrate by our recent study of muon spin rotation/relaxation that the temperature (T) dependence of the longitudinal spin relaxation rate (λ ≡ 1/T1) in these compounds exhibits a common trend of leveling off to a constant value (λ ˜ const.) below a characteristic temperature, T*. This is in marked contrast to the behavior predicted for normal metals from the Korringa relation, λ ∝ T/ν, where the spin fluctuation rate (ν) in the Pauli paramagnetic state is given as a constant, ν ≃ 1/[hD(EF)] [with D(EF) being the density of states at the Fermi energy]. Thus, the observed behavior of λ implies that the spin fluctuation rate becomes linearly dependent on temperature, ν ∝ T, suggesting that heavy quasiparticles develop in a manner satisfying D(EF) ∝ (m*)σ ∝ 1/T at lower temperatures (σ determined by the electronic dispersion). Considering that the theory of spin correlation for intersecting Hubbard chains as a model of pyrochlore lattice predicts ν ∝ T, our finding strongly indicates the crucial role of t2g bands which preserve the one-dimensional character at low energies due to the geometrical frustration specific to the undistorted pyrochlore lattice.

  6. Potentially Functional Polymorphisms in POU5F1 Gene Are Associated with the Risk of Lung Cancer in Han Chinese.

    PubMed

    Niu, Rui; Wang, Yuzhuo; Zhu, Meng; Wen, Yifan; Sun, Jie; Shen, Wei; Cheng, Yang; Zhang, Jiahui; Jin, Guangfu; Ma, Hongxia; Hu, Zhibin; Shen, Hongbing; Dai, Juncheng

    2015-01-01

    POU5F1 is a key regulator of self-renewal and differentiation in embryonic stem cells and may be associated with initiation, promotion, and progression in cancer. We hypothesized that functional polymorphisms in POU5F1 may play an important role in modifying the lung cancer risk. To test this hypothesis, we conducted a case-control study to explore the association between 17 potentially functional SNPs in POU5F1 gene and the lung cancer risk in 1,341 incident lung cancer cases and 1,982 healthy controls in a Chinese population. We found that variant alleles of rs887468 and rs3130457 were significantly associated with increased risk of lung cancer after multiple comparison (OR = 1.29, 95% CI: 1.11-1.51, P fdr = 0.017 for rs887468; OR = 1.29, 95% CI: 1.10-1.51, P fdr = 0.034 for rs3130457, resp.). In addition, we detected a significant interaction between rs887468 genotypes and smoking status on lung cancer risk (P = 0.017). Combined analysis of these 2 SNPs showed a significant allele-dosage association between the number of risk alleles and increased risk of lung cancer (P trend < 0.001). These findings indicate that potentially functional polymorphisms in POU5F1 gene may contribute to lung cancer susceptibility in a Chinese population.

  7. 26 CFR 5f.103-1 - Obligations issued after December 31, 1982, required to be in registered form.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 103 (a) or any other provision of law, exclusive of any treaty obligation of the United States, unless... 26 Internal Revenue 14 2014-04-01 2013-04-01 true Obligations issued after December 31, 1982... EQUITY AND FISCAL RESPONSIBILITY ACT OF 1982 § 5f.103-1 Obligations issued after December 31,...

  8. 49 CFR Appendix A to Part 591 - Section 591.5(f) Bond for the Entry of a Single Vehicle

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 49 Transportation 7 2012-10-01 2012-10-01 false Section 591.5(f) Bond for the Entry of a Single Vehicle A Appendix A to Part 591 Transportation Other Regulations Relating to Transportation (Continued... VEHICLES AND EQUIPMENT SUBJECT TO FEDERAL SAFETY, BUMPER AND THEFT PREVENTION STANDARDS Pt. 591, App....

  9. Potentially Functional Polymorphisms in POU5F1 Gene Are Associated with the Risk of Lung Cancer in Han Chinese

    PubMed Central

    Niu, Rui; Wang, Yuzhuo; Zhu, Meng; Wen, Yifan; Sun, Jie; Shen, Wei; Cheng, Yang; Zhang, Jiahui; Jin, Guangfu; Ma, Hongxia; Hu, Zhibin; Shen, Hongbing; Dai, Juncheng

    2015-01-01

    POU5F1 is a key regulator of self-renewal and differentiation in embryonic stem cells and may be associated with initiation, promotion, and progression in cancer. We hypothesized that functional polymorphisms in POU5F1 may play an important role in modifying the lung cancer risk. To test this hypothesis, we conducted a case-control study to explore the association between 17 potentially functional SNPs in POU5F1 gene and the lung cancer risk in 1,341 incident lung cancer cases and 1,982 healthy controls in a Chinese population. We found that variant alleles of rs887468 and rs3130457 were significantly associated with increased risk of lung cancer after multiple comparison (OR = 1.29, 95% CI: 1.11–1.51, Pfdr = 0.017 for rs887468; OR = 1.29, 95% CI: 1.10–1.51, Pfdr = 0.034 for rs3130457, resp.). In addition, we detected a significant interaction between rs887468 genotypes and smoking status on lung cancer risk (P = 0.017). Combined analysis of these 2 SNPs showed a significant allele-dosage association between the number of risk alleles and increased risk of lung cancer (Ptrend < 0.001). These findings indicate that potentially functional polymorphisms in POU5F1 gene may contribute to lung cancer susceptibility in a Chinese population. PMID:26824036

  10. Resonant impurities and their electronic behavior in single-layer graphene

    NASA Astrophysics Data System (ADS)

    Wang, Lin

    The electronic behavior of single-layer graphene (SLG) containing resonant impurities wasinvestigated, particularly by quantum capacitance measurements. Before introducing resonant impurities into SLG, the properties of pristine SLG devices top-gated using ultra-thin Y2O3 dielectric layers were systematically studied by structure characterization, DC transport measurements and AC quantum capacitance measurements. Y2O 3 is an ideal candidate of dielectric materials for SLG top-gated devices by introducing very few short-range impurities. This facilitates us to probe the quantum capacitance and the density of states (D = Cq/e 2) of pristine and disordered graphene due to its very large capacitance. A new type of resonant impurities of Ag adatoms deposited on SLG was successfully detected through quantum capacitance measurements. The midgap states induced by Ag-adatoms are visible at room temperature and more evident at cryogenic temperatures. Theintensity of Ag-adatom-induced resonances becomes stronger at higher impurity concentration and higher magnetic fields, which agrees fairly well with theoretical calculations based on the density functional theory (DFT) and tight-binding model (TB). We elucidated that the appearance of the robust resonant peak near the charge neutrality point (CNP) and the splitting of zero Landau level (LL) for Ag-adsorbed graphene are manifestations of the hybridization effect of electrons from graphene bands and the resonant impurity bands. With a very high density of Ag adatoms, SLG capacitors show unconventional negative quantum capacitance behavior. The Ag adatoms act as resonant impurities and form nearly dispersionless resonant impurity bands near the CNP. Resonant impurities quench the kinetic energy and drive the electrons to the Coulomb energy dominated regime with negative compressibility. In the absence of a magnetic field, negative quantum capacitance is observed near the CNP. In the quantum Hall regime, negative quantum

  11. High-impedance wire grid method to study spatiotemporal behavior of hot electron clump generated in a plasma

    SciTech Connect

    Terasaka, K. Kato, Y.; Tanaka, M. Y.; Yoshimura, S.; Morisaki, T.; Furuta, K.; Aramaki, M.

    2014-11-15

    High-impedance Wire Grid (HIWG) detector has been developed to study spatiotemporal behavior of a hot electron clump generated in an electron cyclotron resonance (ECR) plasma. By measuring the floating potentials of the wire electrodes, and generating structure matrix made of geometrical means of the floating potentials, the HIWG detector reconstructs the spatial distribution of high-temperature electron clump at an arbitrary instant of time. Time slices of the spike event in floating potential revealed the growth and decay process of a hot spot occurs in an ECR plasma.

  12. High-impedance wire grid method to study spatiotemporal behavior of hot electron clump generated in a plasma.

    PubMed

    Terasaka, K; Yoshimura, S; Kato, Y; Furuta, K; Aramaki, M; Morisaki, T; Tanaka, M Y

    2014-11-01

    High-impedance Wire Grid (HIWG) detector has been developed to study spatiotemporal behavior of a hot electron clump generated in an electron cyclotron resonance (ECR) plasma. By measuring the floating potentials of the wire electrodes, and generating structure matrix made of geometrical means of the floating potentials, the HIWG detector reconstructs the spatial distribution of high-temperature electron clump at an arbitrary instant of time. Time slices of the spike event in floating potential revealed the growth and decay process of a hot spot occurs in an ECR plasma.

  13. Mechanical behavior of post-processed Inconel 718 manufactured through the electron beam melting process

    DOE PAGES

    Kirka, Michael M.; Medina, Frank; Dehoff, Ryan R.; ...

    2016-10-21

    Here, the electron beam melting (EBM) process was used to fabricate Inconel 718. The microstructure and tensile properties were characterized in both the as-fabricated and post-processed state transverse (T-orientation) and longitudinal (L-orientation) to the build direction. Post-processing involved both a hot isostatic pressing (HIP) and solution treatment and aging (STA) to homogenize the microstructure. In the as-fabricated state, EBM Inconel 718 exhibits a spatially dependent microstructure that is a function of build height. Spanning the last few layers is a cored dendritic structure comprised of the products (carbides and Laves phase) predicted under equilibrium solidification conditions. With increasing distance frommore » the build's top surface, the cored dendritic structure becomes increasingly homogeneous with complete dissolution of the secondary dendrite arms. Further, temporal phase kinetics are observed to lead to the dissolution of the strengthening γ"γ" and precipitation of networks of fine δ needles that span the grains. Microstructurally, post-processing resulted in dissolution of the δ networks and homogeneous precipitation of γ'"γ'" throughout the height of the build. In the as-fabricated state, the monotonic tensile behavior exhibits a height sensitivity within the T-orientation at both 20 and 650 °C. Along the L-orientation, the tensile behavior exhibits strength values comparable to the reference wrought material in the fully heat-treated state. After post-processing, the yield strength, ultimate strength, and elongation at failure for the EBM Inconel 718 were observed to have beneficially increased compared to the as-fabricated material. Further, as a result of post-processing the spatial variance of the ultimate yield strength and elongation at failure within the transverse direction decreased by 4 and 3× respectively.« less

  14. Mechanical behavior of post-processed Inconel 718 manufactured through the electron beam melting process

    SciTech Connect

    Kirka, Michael M.; Medina, Frank; Dehoff, Ryan R.; Okello, Alfred O.

    2016-10-21

    Here, the electron beam melting (EBM) process was used to fabricate Inconel 718. The microstructure and tensile properties were characterized in both the as-fabricated and post-processed state transverse (T-orientation) and longitudinal (L-orientation) to the build direction. Post-processing involved both a hot isostatic pressing (HIP) and solution treatment and aging (STA) to homogenize the microstructure. In the as-fabricated state, EBM Inconel 718 exhibits a spatially dependent microstructure that is a function of build height. Spanning the last few layers is a cored dendritic structure comprised of the products (carbides and Laves phase) predicted under equilibrium solidification conditions. With increasing distance from the build's top surface, the cored dendritic structure becomes increasingly homogeneous with complete dissolution of the secondary dendrite arms. Further, temporal phase kinetics are observed to lead to the dissolution of the strengthening γ"γ" and precipitation of networks of fine δ needles that span the grains. Microstructurally, post-processing resulted in dissolution of the δ networks and homogeneous precipitation of γ'"γ'" throughout the height of the build. In the as-fabricated state, the monotonic tensile behavior exhibits a height sensitivity within the T-orientation at both 20 and 650 °C. Along the L-orientation, the tensile behavior exhibits strength values comparable to the reference wrought material in the fully heat-treated state. After post-processing, the yield strength, ultimate strength, and elongation at failure for the EBM Inconel 718 were observed to have beneficially increased compared to the as-fabricated material. Further, as a result of post-processing the spatial variance of the ultimate yield strength and elongation at failure within the transverse direction decreased by 4 and 3× respectively.

  15. An IP-Level Analysis of Usage Statistics for Electronic Journals in Chemistry: Making Inferences about User Behavior.

    ERIC Educational Resources Information Center

    Davis, Philip M.; Solla, Leah R.

    2003-01-01

    Reports an analysis of American Chemical Society electronic journal downloads at Cornell University (Ithaca, New York) by individual IP (Internet Protocol) addresses. Highlights include usage statistics to evaluate library journal subscriptions; understanding scientists' reading behavior; individual use of articles and of journals; and the…

  16. Evaluation of fatigue crack behavior in electron beam irradiated polyethylene pipes

    NASA Astrophysics Data System (ADS)

    Pokharel, Pashupati; Jian, Wei; Choi, Sunwoong

    2016-09-01

    A cracked round bar (CRB) fatigue test was employed to determine the slow crack growth (SCG) behavior of samples from high density polyethylene (HDPE) pipes using PE4710 resin. The structure property relationships of fatigue failure of polyethylene CRB specimens which have undergone various degree of electron beam (EB) irradiation were investigated by observing fatigue failure strength and the corresponding fracture surface morphology. Tensile test of these HDPE specimens showed improvements in modulus and yield strength while the failure strain decreased with increasing EB irradiation. The CRB fatigue test of HDPE pipe showed remarkable effect of EB irradiation on number of cycles to failure. The slopes of the stress-cycles to failure curve were similar for 0-100 kGy; however, significantly higher slope was observed for 500 kGy EB irradiated pipe. Also, the cycle to fatigue failure was seen to decrease as with EB irradiation in the high stress range, ∆σ=(16 MPa to 10.8 MPa); however, 500 kGy EB irradiated samples showed longer cycles to failure than the un-irradiated specimens at the stress range below 9.9 MPa and the corresponding initial stress intensity factor (∆KI,0)=0.712 MPa m1/2. The fracture surface morphology indicated that the cross-linked network in 500 kGy EB irradiated PE pipe can endure low dynamic load more effectively than the parent pipe.

  17. Spatially distributed scintillator arrays for diagnosing runaway electron transport and energy behavior in tokamaks

    SciTech Connect

    James, A. N.; Hollmann, E. M.; Tynan, G. R.

    2010-10-15

    We present details of a new bismuth germanate [Bi{sub 4}Ge{sub 3}O{sub 12} (BGO)] scintillator array used to diagnose the transport and energy behavior of runaway electrons (REs) in DIII-D. BGO exhibits important properties for these compact detectors including high light yield which sufficiently excites photodiode detectors (8500 photons/MeV), high density and atomic numbers of constituent materials which maximizes sensitivity, and relative neutron blindness which minimizes complications in data interpretation. The detectors observe primarily hard x-ray radiation emitted in a forward beamed pattern by RE when they strike first wall materials or bulk ions and neutrals in the plasma, although we also address photoneutron signals. The arrangement of the array enables time resolved location of x-ray emission and associated asymmetries which help identify instabilities and confinement properties of RE. By shielding a subset of detectors with different thicknesses of lead, and with interpretative support of the code EGSNRC, we also measure RE energy, although due to the often distributed nature of RE strike points and the forward beamed character of emitted hard x-rays, we restrict interpretation as a lower bound for RE energy.

  18. Competence-impeding electronic games and players' aggressive feelings, thoughts, and behaviors.

    PubMed

    Przybylski, Andrew K; Deci, Edward L; Deci, Edward; Rigby, C Scott; Ryan, Richard M

    2014-03-01

    [Correction Notice: An Erratum for this article was reported in Vol 106(3) of Journal of Personality and Social Psychology (see record 2014-07574-006). In the article, the name of author Edward Deci was missing his middle name initial and should have read as Edward L. Deci. In addition, an incorrect version of figure 1 was published.] Recent studies have examined whether electronic games foster aggression. At present, the extent to which games contribute to aggression and the mechanisms through which such links may exist are hotly debated points. In current research we tested a motivational hypothesis derived from self-determination theory-that gaming would be associated with indicators of human aggression to the degree that the interactive elements of games serve to impede players' fundamental psychological need for competence. Seven studies, using multiple methods to manipulate player competence and a range of approaches for evaluating aggression, indicated that competence-impeding play led to higher levels of aggressive feelings, easier access to aggressive thoughts, and a greater likelihood of enacting aggressive behavior. Results indicated that player perceived competence was positively related to gaming motivation, a factor that was, in turn, negatively associated with player aggression. Overall, this pattern of effects was found to be independent of the presence or absence of violent game contents. We discuss the results in respect to research focused on psychological need frustration and satisfaction and as they regard gaming-related aggression literature.

  19. Sheet Size-Induced Evaporation Behaviors of Inkjet-Printed Graphene Oxide for Printed Electronics.

    PubMed

    Kim, Haena; Jang, Jeong In; Kim, Hyun Ho; Lee, Geon-Woong; Lim, Jung Ah; Han, Joong Tark; Cho, Kilwon

    2016-02-10

    The size of chemically modified graphene nanosheets is a critical parameter that affects their performance and applications. Here, we show that the lateral size of graphene oxide (GO) nanosheets is strongly correlated with the concentration of graphite oxide present in the suspension as graphite oxide is exfoliated by sonication. The size of the GO nanosheets increased from less than 100 nm to several micrometers as the concentration of graphite oxide in the suspension was increased up to a critical concentration. An investigation of the evaporation behavior of the GO nanosheet solution using inkjet printing revealed that the critical temperature of formation of a uniform film, T(c), was lower for the large GO nanosheets than for the small GO nanosheets. This difference was attributed to the interactions between the two-dimensional structures of GO nanosheets and the substrate as well as the interactions among the GO nanosheets. Furthermore, we fabricated organic thin film transistors (OTFTs) using line-patterned reduced GO as electrodes. The OTFTs displayed different electrical performances, depending on the graphene sheet size. We believe that our new strategy to control the size of GO nanosheets and our findings about the colloidal and electrical properties of size-controlled GO nanosheets will be very effective to fabricate graphene based printed electronics.

  20. Spatially distributed scintillator arrays for diagnosing runaway electron transport and energy behavior in tokamaks.

    PubMed

    James, A N; Hollmann, E M; Tynan, G R

    2010-10-01

    We present details of a new bismuth germanate [Bi(4)Ge(3)O(12) (BGO)] scintillator array used to diagnose the transport and energy behavior of runaway electrons (REs) in DIII-D. BGO exhibits important properties for these compact detectors including high light yield which sufficiently excites photodiode detectors (8500 photons/MeV), high density and atomic numbers of constituent materials which maximizes sensitivity, and relative neutron blindness which minimizes complications in data interpretation. The detectors observe primarily hard x-ray radiation emitted in a forward beamed pattern by RE when they strike first wall materials or bulk ions and neutrals in the plasma, although we also address photoneutron signals. The arrangement of the array enables time resolved location of x-ray emission and associated asymmetries which help identify instabilities and confinement properties of RE. By shielding a subset of detectors with different thicknesses of lead, and with interpretative support of the code EGSNRC, we also measure RE energy, although due to the often distributed nature of RE strike points and the forward beamed character of emitted hard x-rays, we restrict interpretation as a lower bound for RE energy.

  1. Spatially distributed scintillator arrays for diagnosing runaway electron transport and energy behavior in tokamaksa)

    NASA Astrophysics Data System (ADS)

    James, A. N.; Hollmann, E. M.; Tynan, G. R.

    2010-10-01

    We present details of a new bismuth germanate [Bi4Ge3O12 (BGO)] scintillator array used to diagnose the transport and energy behavior of runaway electrons (REs) in DIII-D. BGO exhibits important properties for these compact detectors including high light yield which sufficiently excites photodiode detectors (8500 photons/MeV), high density and atomic numbers of constituent materials which maximizes sensitivity, and relative neutron blindness which minimizes complications in data interpretation. The detectors observe primarily hard x-ray radiation emitted in a forward beamed pattern by RE when they strike first wall materials or bulk ions and neutrals in the plasma, although we also address photoneutron signals. The arrangement of the array enables time resolved location of x-ray emission and associated asymmetries which help identify instabilities and confinement properties of RE. By shielding a subset of detectors with different thicknesses of lead, and with interpretative support of the code EGSNRC, we also measure RE energy, although due to the often distributed nature of RE strike points and the forward beamed character of emitted hard x-rays, we restrict interpretation as a lower bound for RE energy.

  2. Electronic speckle-pattern interferometry (ESPI) applied to the study of mechanical behavior of human jaws

    NASA Astrophysics Data System (ADS)

    Roman, Juan F.; Moreno de las Cuevas, Vincente; Salgueiro, Jose R.; Suarez, David; Fernandez, Paula; Gallas, Mercedes; Blanchard, Alain

    1996-01-01

    The study of the mechanical behavior of the human jaw during chewing is helpful in several specific medical fields that cover the maxillo-facial area. In this work, electronic speckle pattern interferometry has been applied to study dead jaw bones under external stress which simulates the deformations induced during chewing. Fringes obtained after subtraction of two images of the jaw, the image of the relaxed jaw and that of the jaw under stress, give us information about the most stressed zones. The interferometric analysis proposed here is attractive as it can be done in real time with the jaw under progressive stress. Image processing can be applied for improving the quality of fringes. This research can be of help in orthognathic surgery, for example in diagnosis and treatment of fractured jaws, in oral surgery, and in orthodontics because it would help us to know the stress dispersion when we insert an osseointegrated implant or place an orthodontic appliance, respectively. Studying fragments of human jaw some results about its elasticity and flexibility were obtained.

  3. The behavior of the electron plasma boundary in ultraintense laser–highly overdense plasma interaction

    SciTech Connect

    Sánchez-Arriaga, G.; Sanz, J.; Debayle, A.; Lehmann, G.

    2014-12-15

    The structural stability of the laser/plasma interaction is discussed, for the case of a linearly polarized laser beam interacting with a solid at normal incidence. Using a semi-analytical cold fluid model, the dynamics of the electron plasma boundary (EPB), usually related to the high-order harmonic generation and laser absorption, are presented. While the well-known J × B plasma oscillations at two times the laser frequency are recovered by the model, several other periodic in time stable solutions exist for exactly the same value of the physical parameters. This novel behavior highlights the importance of the laser pulse history among other factors. Some important features, such as the synchronization between the incident laser and the EPB oscillation, depend on the solution under consideration. A description of the possible types of stable oscillations in a parametric plane involving plasma density and laser amplitude is presented. The semi-analytical model is compared with particle-in-cell and semi-Lagrangian Vlasov simulations. They show that, among all the stable solutions, the plasma preferentially evolves to a state with the EPB oscillating twice faster than the laser. The effect of the plasma temperature and the existence of a ramp in the ion density profile are also discussed.

  4. Evaluation of regulatory genetic variants in POU5F1 and risk of congenital heart disease in Han Chinese

    NASA Astrophysics Data System (ADS)

    Lin, Yuan; Ding, Chenyue; Zhang, Kai; Ni, Bixian; da, Min; Hu, Liang; Hu, Yuanli; Xu, Jing; Wang, Xiaowei; Chen, Yijiang; Mo, Xuming; Cui, Yugui; Shen, Hongbing; Sha, Jiahao; Liu, Jiayin; Hu, Zhibin

    2015-10-01

    OCT4 is a transcription factor of the POU family, which plays a key role in embryonic development and stem cell pluripotency. Previous studies have shown that Oct4 is required for cardiomyocyte differentiation in mice and its depletion could result in cardiac morphogenesis in embryo. However, whether the genetic variations in OCT4 coding gene, POU5F1, confer the predisposition to congenital heart disease (CHD) is unclear. This study sought to investigate the associations between low-frequency (defined here as having minor allele frequency (MAF) between 0.1%-5%) and rare (MAF below 0.1%) variants with potential function in POU5F1 and risk of CHD. We conducted association analysis in a two-stage case-control study with a total of 2,720 CHD cases and 3,331 controls in Chinese. The low-frequency variant rs3130933 was observed to be associated with a significantly increased risk of CHD [additive model: adjusted odds ratio (OR) = 2.15, adjusted P = 3.37 × 10-6]. Furthermore, luciferase activity assay showed that the variant A allele led to significantly lower expression levels as compared to the G allele. These findings indicate for the first time that low-frequency functional variant in POU5F1 may contribute to the risk of congenital heart malformations.

  5. Phase behaviors of binary mixtures composed of electron-rich and electron-poor triphenylene discotic liquid crystals

    NASA Astrophysics Data System (ADS)

    An, Lingling; Jing, Min; Xiao, Bo; Bai, Xiao-Yan; Zeng, Qing-Dao; Zhao, Ke-Qing

    2016-09-01

    Disk-like liquid crystals (DLCs) can self-assemble to ordered columnar mesophases and are intriguing one-dimensional organic semiconductors with high charge carrier mobility. To improve their applicable property of mesomorphic temperature ranges, we exploit the binary mixtures of electronic donor-acceptor DLC materials. The electron-rich 2,3,6,7,10,11-hexakis(alkoxy)triphenylenes (C4, C6, C8, C10, C12) and an electron-deficient tetrapentyl triphenylene-2,3,6,10-tetracarboxylate have been prepared and their binary mixtures have been investigated. The mesomorphism of the 1:1 (molar ratio) mixtures has been characterized by polarizing optical microscopy (POM), differential scanning calorimetry (DSC), and small angel x-ray scattering (SAXS). The self-assembled monolayer structure of a discogen on a solid-liquid interface has been imaged by the high resolution scanning tunneling microscopy (STM). The match of peripheral chain length has important influence on the mesomorphism of the binary mixtures. Project supported by the National Natural Science Foundation of China (Grant Nos. 51273133 and 51443004).

  6. Runaway electron generation as possible trigger for enhancement of magnetohydrodynamic plasma activity and fast changes in runaway beam behavior

    SciTech Connect

    Pankratov, I. M. E-mail: rjzhou@ipp.ac.cn; Zhou, R. J. E-mail: rjzhou@ipp.ac.cn; Hu, L. Q.

    2015-07-15

    Peculiar phenomena were observed during experiments with runaway electrons: rapid changes in the synchrotron spot and its intensity that coincided with stepwise increases in the electron cyclotron emission (ECE) signal (cyclotron radiation of suprathermal electrons). These phenomena were initially observed in TEXTOR (Tokamak Experiment for Technology Oriented Research), where these events only occurred in the current decay phase or in discharges with thin stable runaway beams at a q = 1 drift surface. These rapid changes in the synchrotron spot were interpreted by the TEXTOR team as a fast pitch angle scattering event. Recently, similar rapid changes in the synchrotron spot and its intensity that coincided with stepwise increases in the non-thermal ECE signal were observed in the EAST (Experimental Advanced Superconducting Tokamak) runaway discharge. Runaway electrons were located around the q = 2 rational magnetic surface (ring-like runaway electron beam). During the EAST runaway discharge, stepwise ECE signal increases coincided with enhanced magnetohydrodynamic (MHD) activity. This behavior was peculiar to this shot. In this paper, we show that these non-thermal ECE step-like jumps were related to the abrupt growth of suprathermal electrons induced by bursting electric fields at reconnection events during this MHD plasma activity. Enhancement of the secondary runaway electron generation also occurred simultaneously. Local changes in the current-density gradient appeared because of local enhancement of the runaway electron generation process. These current-density gradient changes are considered to be a possible trigger for enhancement of the MHD plasma activity and the rapid changes in runaway beam behavior.

  7. Runaway electron generation as possible trigger for enhancement of magnetohydrodynamic plasma activity and fast changes in runaway beam behavior

    NASA Astrophysics Data System (ADS)

    Pankratov, I. M.; Zhou, R. J.; Hu, L. Q.

    2015-07-01

    Peculiar phenomena were observed during experiments with runaway electrons: rapid changes in the synchrotron spot and its intensity that coincided with stepwise increases in the electron cyclotron emission (ECE) signal (cyclotron radiation of suprathermal electrons). These phenomena were initially observed in TEXTOR (Tokamak Experiment for Technology Oriented Research), where these events only occurred in the current decay phase or in discharges with thin stable runaway beams at a q = 1 drift surface. These rapid changes in the synchrotron spot were interpreted by the TEXTOR team as a fast pitch angle scattering event. Recently, similar rapid changes in the synchrotron spot and its intensity that coincided with stepwise increases in the non-thermal ECE signal were observed in the EAST (Experimental Advanced Superconducting Tokamak) runaway discharge. Runaway electrons were located around the q = 2 rational magnetic surface (ring-like runaway electron beam). During the EAST runaway discharge, stepwise ECE signal increases coincided with enhanced magnetohydrodynamic (MHD) activity. This behavior was peculiar to this shot. In this paper, we show that these non-thermal ECE step-like jumps were related to the abrupt growth of suprathermal electrons induced by bursting electric fields at reconnection events during this MHD plasma activity. Enhancement of the secondary runaway electron generation also occurred simultaneously. Local changes in the current-density gradient appeared because of local enhancement of the runaway electron generation process. These current-density gradient changes are considered to be a possible trigger for enhancement of the MHD plasma activity and the rapid changes in runaway beam behavior.

  8. Structural and electronic dependence of the single-molecule-magnet behavior of dysprosium(III) complexes.

    PubMed

    Campbell, Victoria E; Bolvin, Hélène; Rivière, Eric; Guillot, Regis; Wernsdorfer, Wolfgang; Mallah, Talal

    2014-03-03

    We investigate and compare the magnetic properties of two isostructural Dy(III)-containing complexes. The Dy(III) ions are chelated by hexadentate ligands and possess two apical bidendate nitrate anions. In dysprosium(III) N,N'-bis(imine-2-yl)methylene-1,8-diamino-3,6-dioxaoctane (1), the ligand's donor atoms are two alkoxo, two pyridine, and two imine nitrogen atoms. Dysprosium(III) N,N'-bis(amine-2-yl)methylene-1,8-diamino-3,6-dioxaoctane (2) is identical with 1 except for one modification: the two imine groups have been replaced by amine groups. This change has a minute effect on the structure and a larger effect the magnetic behavior. The two complexes possess slow relaxation of the magnetization in the presence of an applied field of 1000 Oe but with a larger barrier for reorientation of the magnetization for 1 (Ueff/kB = 50 K) than for 2 (Ueff/kB = 34 K). First-principles calculations using the spin-orbit complete active-space self-consistent-field method were performed and allowed to fit the experimental magnetization data. The calculations gave the energy spectrum of the 2J + 1 sublevels issued from the J = 15/2 free-ion ground state. The lowest-lying sublevels were found to have a large contribution of MJ = ±15/2 for 1, while for 2, MJ = ±13/2 was dominant. The observed differences were attributed to a synergistic effect between the electron density of the ligand and the small structural changes provoked by a slight alteration of the coordination environment. It was observed that the stronger ligand field (imine) resulted in complex 1 with a larger energy barrier for reorientation of the magnetization than 2.

  9. College students' electronic victimization in friendships and dating relationships: anticipated distress and associations with risky behaviors.

    PubMed

    Bennett, Diana C; Guran, Elyse L; Ramos, Michelle C; Margolin, Gayla

    2011-01-01

    This study investigated college students' reports of electronic victimization in friendships and dating relationships. We examined 22 items representing four categories of electronic victimization: hostility, humiliation, exclusion, and intrusiveness. Nearly all participants (92%) reported some electronic victimization in the past year, with males reporting more victimization and females anticipating more distress. Both females and males anticipated more distress from electronic victimization in dating relationships than friendships. More actual experience with electronic victimization related to lower anticipated distress. Electronic victimization was associated with females' alcohol use, even after controlling for other victimization experiences. Discussion focuses on the contextualized nature of electronic victimization, and on the importance of understanding what makes electronic victimization highly distressing for some individuals.

  10. The Experimental Values of Atomic Electron Affinities: Their Selection and Periodic Behavior

    ERIC Educational Resources Information Center

    Chen, E. C. M.; Wentworth, W. E.

    1975-01-01

    Describes new experimental techniques, such as dye-laser photodetachment studies, which have recently provided accurate values for the electron affinity of numerous elements. Provides a periodic chart with available electron affinity data. (MLH)

  11. Crossover from itinerant-electron to localized-electron behavior in Sr(1-x)Ca(x)CrO3 perovskite solid solution.

    PubMed

    Long, Youwen; Yang, Liuxiang; Lv, Yuxi; Liu, Qingqing; Jin, Changqing; Zhou, Jianshi; Goodenough, John B

    2011-09-07

    Polycrystalline samples of the perovskite family Sr(1-x)Ca(x)CrO(3) have been prepared at high pressure and temperature in steps of 1/6 over the range 0 ≤ x ≤ 1. Rietveld analysis shows a series of structural phase transitions from cubic to tetragonal to orthorhombic with increasing x. The cubic samples have no long-range magnetic order; the other samples become antiferromagnetically ordered below a T(N) that increases with x. At ambient pressure, the electric transport properties of the cubic and tetragonal phases are semiconducting with a small (meV range) activation energy that increases with x; the orthorhombic phase exhibits variable-range hopping rather than the small-polaron behavior typically found for mixed-valent, localized-electron configurations. Above a pressure P=P(C), a smooth insulator-metal transition is found at a T(IM) that decreases with increasing P for a fixed x; P(C) increases with x. These phenomena are rationalized qualitatively with a π(∗)-band model having a width W(π) that approaches crossover from itinerant-electron to localized-electron behavior as W(π) decreases with increasing x. The smaller size of the Ca(2+) ion induces the structural changes and the greater acidity of the Ca(2+) ion is primarily responsible for narrowing W(π) as x increases.

  12. Biomarkers of sensitivity to potent and selective antitumor 2-(4-amino-3-methylphenyl)-5-fluorobenzothiazole (5F203) in ovarian cancer.

    PubMed

    Callero, Mariana A; Luzzani, Gabriela A; De Dios, Diana O; Bradshaw, Tracey D; Perez, Andrea I Loaiza

    2013-10-01

    2-(4-Amino-3-methylphenyl)-5-fluorobenzothiazole (5F203, NSC 703786) lysylamide belongs to a novel mechanistic class of antitumor agents. It elicits activity against ovarian, breast, kidney and colorectal cancer models. In sensitive breast cancer cells, 5F203 activates aryl hydrocarbon receptor (AhR) signaling. Herein, we evaluate the role of AhR in 5F203 activity in two ovarian cancer cell lines: IGROV-1 (sensitive to 5F203), SKOV-3 (resistant to this agent). In addition, cancer cells have been isolated from ascites fluid of ovarian cancer patients; sensitivity to 5F203 and concurrent AhR signal transduction has been examined in ascites-isolated ovarian cancer patients' cells. 5F203 induced enhanced CYP1A1 expression, AhR translocation and ROS formation in IGROV-1 cells and ascites-isolated ovarian cancer cells that were sensitive to 5F203. In IGROV-1 cells 5F203-induced ROS formation was accompanied by JNK, ERK and P38MAPK phosphorylation, DNA damage and cell cycle arrest prior to apoptosis. In contrast, 5F203 failed to induce CYP1A1 expression, AhR translocation or oxidative stress in 5F203-resistant SKOV-3 cells, or in ovarian cancer ascites cells inherently resistant to this agent. We propose that AhR may represent a new molecular target in the treatment of ovarian tumors and 5F203 may exemplify a potential novel treatment. Furthermore, putative biomarkers of sensitivity to this agent have been identified.

  13. The Electronic Academic Library: Undergraduate Research Behavior in a Library Without Books

    ERIC Educational Resources Information Center

    Van Scoyoc, Anna M.; Cason, Caroline

    2006-01-01

    This study examines undergraduate students' research habits in a strictly electronic library environment at a large public university. Unlike most information commons, the campus' electronic library is not housed within a traditional library space and provides access to electronic research materials exclusively. This study finds that undergraduate…

  14. Does complex absorption behavior leading to conditioning and damage in KDP/DKDP reflect the electronic structure of initiators?

    SciTech Connect

    Feit, M D; DeMange, P P; Negres, R A; Rubenchik, A M; Demos, S G

    2007-10-24

    Currently, most of our thinking about the defects responsible for initiating laser damage considers them as featureless absorbers. However, an increasing body of evidence, particularly involving multi-wavelength irradiation, suggests electronic structure of damage initiators is important in determining both initiation and conditioning behaviors in KDP. The effective absorption coefficient of energy under multi-wavelength irradiation cannot be accounted for by a structureless absorber, but is consistent with an initiator with a multi-level structure. We outline the evidence and assess the ability of such a simple multi-level model to explain these and other experimentally observed behaviors.

  15. Superconductivity and metallic behavior in PbxCyOδ structures prepared by focused electron beam induced deposition

    NASA Astrophysics Data System (ADS)

    Winhold, M.; Weirich, P. M.; Schwalb, C. H.; Huth, M.

    2014-10-01

    Focused electron beam induced deposition as a direct-write approach possesses great potential to meet the demands for superconducting nanostructure fabrication especially regarding its 3D patterning capabilities combined with the high resolution in the nanometer regime. So far, however, it was not possible to fabricate superconducting structures with this technique. In this work, we present a lead-based superconductor prepared by focused electron beam induced deposition by dissociation of the precursor tetraethyllead. The as-grown structures exhibit metallic behavior and a minimum resistivity in the normal state of ρ = 16 μΩcm at T = 9 K followed by a superconducting transition at Tc = 7.2 K.

  16. Structure, Electronic Properties, and Electrochemical Behavior of a Boron-Doped Diamond/Quartz Optically Transparent Electrode.

    PubMed

    Wächter, Naihara; Munson, Catherine; Jarošová, Romana; Berkun, Isil; Hogan, Timothy; Rocha-Filho, Romeu C; Swain, Greg M

    2016-05-31

    The morphology, microstructure, chemistry, electronic properties, and electrochemical behavior of a boron-doped nanocrystalline diamond (BDD) thin film grown on quartz were evaluated. Diamond optically transparent electrodes (OTEs) are useful for transmission spectroelectrochemical measurements, offering excellent stability during anodic and cathodic polarization and exposure to a variety of chemical environments. We report on the characterization of a BDD OTE by atomic force microscopy, optical spectroscopy, Raman spectroscopic mapping, alternating-current Hall effect measurements, X-ray photoelectron spectroscopy, and electrochemical methods. The results reported herein provide the first comprehensive study of the relationship between the physical and chemical structure and electronic properties of a diamond OTE and the electrode's electrochemical activity.

  17. Profile of Ventana ALK (D5F3) companion diagnostic assay for non-small-cell lung carcinomas.

    PubMed

    Conde, Esther; Hernandez, Susana; Prieto, Mario; Martinez, Rebeca; Lopez-Rios, Fernando

    2016-06-01

    The development of several ALK inhibitors means that the importance of accurately identifying ALK-positive lung cancer has never been greater. Therefore, it is crucial that ALK testing assays become more standardized. The aim of this review is to comment on the recently FDA-approved VENTANA ALK (D5F3) Companion Diagnostic (CDx) Assay. This kit provides high sensitivity and specificity for the detection of ALK rearrangements and seamless integration into the laboratory workflow, with a fully automated analytical phase and fast interpretation. The use of controls increases the sensitivity and specificity and a dichotomous scoring approach enhances reproducibility.

  18. Behavioral aspects of electronic bull separation and mate allocation in multiple-sire mating paddocks.

    PubMed

    Lee, C; Prayaga, K C; Fisher, A D; Henshall, J M

    2008-07-01

    Controlling spatial positioning of cattle through use of electronic collars could provide new ways to farm under extensive conditions. This study examined the potential for bulls to be controlled during mating using mild electric shocks delivered through radio-controlled collars. Eighteen Belmont Red bulls were fitted with collars containing the Global Positioning System and that were able to emit a mild electric shock (500 mW) at the top of the neck behind the poll. Eighteen Belmont Red cows were fitted with Global Positioning System collars only. The experiment was replicated 3 times in 3 paddocks. Each paddock contained 2 bulls and 1 cow in induced estrus. On d 1, the bulls were either assigned to the cow or not assigned to the cow, and on d 2, the assignments were reversed, and bulls received the other treatment using a new cow. Treatments were applied for 2 h on each day. The nonassigned bull received a mild electric shock on approach to either the cow or to a bull, whereas the assigned bull received a mild electric shock on approach to the other bull only. The electric shock was applied when the bulls were within approximately 10 m and moving toward the nonallowed animal. The electric shock was terminated when the animal responded by stopping movement toward the nonallowed animal. In the first 10 min, nonassigned bulls spent less time within 5 m of the cow (P = 0.03) than assigned bulls. Assigned bulls spent more time close to the cow during the entire 120 min on d 1 than on d 2 (P = 0.014). On d 1, the assigned bulls moved more toward the cow and the nonassigned bull than they did on d 2 (P = 0.02). Assigned bulls displayed more sexual behaviors than nonassigned bulls (P = 0.004). Nonassigned bulls were sometimes observed not to approach the cow despite a change in its location. This suggests that the bull associated the electric shock with the cow and not with the location in which it received the electric shock. Instances were observed in which the cow

  19. Applying User Input to the Design and Testing of an Electronic Behavioral Health Information System for Wraparound Care Coordination.

    PubMed

    Bruns, Eric J; Hyde, Kelly L; Sather, April; Hook, Alyssa N; Lyon, Aaron R

    2016-05-01

    Health information technology (HIT) and care coordination for individuals with complex needs are high priorities for quality improvement in health care. However, there is little empirical guidance about how best to design electronic health record systems and related technologies to facilitate implementation of care coordination models in behavioral health, or how best to apply user input to the design and testing process. In this paper, we describe an iterative development process that incorporated user/stakeholder perspectives at multiple points and resulted in an electronic behavioral health information system (EBHIS) specific to the wraparound care coordination model for youth with serious emotional and behavioral disorders. First, we review foundational HIT research on how EBHIS can enhance efficiency and outcomes of wraparound that was used to inform development. After describing the rationale for and functions of a prototype EBHIS for wraparound, we describe methods and results for a series of six small studies that informed system development across four phases of effort-predevelopment, development, initial user testing, and commercialization-and discuss how these results informed system design and refinement. Finally, we present next steps, challenges to dissemination, and guidance for others aiming to develop specialized behavioral health HIT. The research team's experiences reinforce the opportunity presented by EBHIS to improve care coordination for populations with complex needs, while also pointing to a litany of barriers and challenges to be overcome to implement such technologies.

  20. Applying User Input to the Design and Testing of an Electronic Behavioral Health Information System for Wraparound Care Coordination

    PubMed Central

    Bruns, Eric J.; Hyde, Kelly L.; Sather, April; Hook, Alyssa; Lyon, Aaron R.

    2015-01-01

    Health information technology (HIT) and care coordination for individuals with complex needs are high priorities for quality improvement in health care. However, there is little empirical guidance about how best to design electronic health record systems and related technologies to facilitate implementation of care coordination models in behavioral health, or how best to apply user input to the design and testing process. In this paper, we describe an iterative development process that incorporated user/stakeholder perspectives at multiple points and resulted in an electronic behavioral health information system (EBHIS) specific to the wraparound care coordination model for youth with serious emotional and behavioral disorders. First, we review foundational HIT research on how EBHIS can enhance efficiency and outcomes of wraparound that was used to inform development. After describing the rationale for and functions of a prototype EBHIS for wraparound, we describe methods and results for a series of six small studies that informed system development across four phases of effort – predevelopment, development, initial user testing, and commercialization – and discuss how these results informed system design and refinement. Finally, we present next steps, challenges to dissemination, and guidance for others aiming to develop specialized behavioral health HIT. The research team's experiences reinforce the opportunity presented by EBHIS to improve care coordination for populations with complex needs, while also pointing to a litany of barriers and challenges to be overcome to implement such technologies. PMID:26060099

  1. Synthesis and Electrochemical Behavior of Electron-Rich s-Tetrazine and Triazolo-tetrazine Nitrate Esters.

    PubMed

    Myers, Thomas W; Snyder, Christopher J; Chavez, David E; Scharff, R Jason; Veauthier, Jacqueline M

    2016-07-18

    We have prepared energetic nitrate ester derivatives of 1,2,4,5-tetrazine and 1,2,4-triazolo[4,3-b]-[1,2,4,5]-tetrazine ring systems as model compounds to study the electrochemical behavior of tetrazines in the presence of explosive groups. The model compounds showed lower thermal stabilities relative to PETN (pentaerythritol tetranitrate), but slightly improved mechanical sensitivities. The presence of electron-rich amine donors leads to a cathodic shift of the tetrazine redox potentials relative to those of previously reported tetrazine explosives. At these potentials, electron-rich tetrazines with either covalently bound or co-dissolved nitrate ester groups are irreversibly reduced. Effectively, changes in the electronic structure of tetrazines affect their electrochemical response to the presence of nitrate ester groups. Thus, it may be possible to develop tetrazine-based electrochemical sensors for the detection of specific explosives and electrocatalysts for their disposal.

  2. Plasma behavior during energetic electron streaming events further evidence for substorm-associated magnetic reconnection

    NASA Technical Reports Server (NTRS)

    Bieber, J. W.; Stone, E. C.; Hones, E. W., Jr.; Baker, D. N.; Bame, S. J.

    1982-01-01

    A recent study showed that streaming energetic (more than 200 keV) electrons in earth's magnetotail are statistically associated with southward magnetic fields and with enhancements of the AE index. It is shown here that the streaming electrons characteristically are preceded by an approximately 15-minute period of tailward plasma flow and followed by a dropout of the plasma sheet, thus demonstrating a clear statistical association between substorms and the classical signatures of magnetic reconnection and plasmoid formation. Additionally, a brief upward surge of mean electron energy preceded plasma dropout in several of the events studied, providing direct evidence of localized, reconnection-associated heating processes.

  3. Laser-induced fluorescence studies of excited Sr reactions: II. Sr(3P1)+CH3F, C2H5F, C2H4F2

    NASA Astrophysics Data System (ADS)

    Teule, J. M.; Janssen, M. H. M.; Bulthuis, J.; Stolte, S.

    1999-06-01

    The vibrational and rotational energy distributions of ground state SrF(X 2Σ) formed in the reactions of electronically excited Sr(3P1) with methylfluoride, ethylfluoride, and 1,1-difluoroethane have been studied by laser-induced fluorescence. Although the reactions of ground state Sr with these reactants are exothermic, no SrF products are observed for those reactions in this study. The fraction of available energy disposed into the sum of rotational and vibrational energy of the SrF(X 2Σ) product is approximately the same for all three reactions, i.e., 40%. The reaction of Sr(3P1) with CH3F results in very low vibrational excitation in the SrF reaction product. The product vibration increases in going to C2H5F and C2H4F2. It is concluded that the alkyl group influences the energy disposal mechanism in these reactions, and some suggestions are given for a partial explanation of the observations.

  4. Behavior of electrons under different biasing conditions in a multidipole plasma

    NASA Astrophysics Data System (ADS)

    Mishra, M. K.; Phukan, A.

    2012-08-01

    This paper reports about the bi-Maxwellian nature of electrons in a filament discharge plasma that exist in a suitable working pressure range. The plasma is produced within a multidipole magnetic cage with a stainless steel mesh grid connected at one end of the cage. The variation in electron energy, plasma potential and electron energy probability function are studied by applying different bias voltage to the magnetic cage, mesh grid and the filaments. It is observed that the electron energies are highly influenced by the bias applied to the magnetic cage and the filaments. The plasma potential is found to be mostly affected by the cage bias voltage. A plane Langmuir probe is used to estimate the plasma parameters.

  5. The deformation behavior of commercially pure titanium subjected to electron beam treatment

    SciTech Connect

    Kazachenok, Marina Kozelskaya, Anna; Panin, Alexey; Ivanov, Yurii

    2015-10-27

    The effect of low-energy high-current pulsed electron beam treatment on the microstructure and mechanical properties of commercially pure titanium specimens is studied. Plastic deformation mechanisms of the specimens subjected to the electron beam treatment followed by uniaxial tension are demonstrated. The role of the interface between the hardened surface layer and the relatively soft parent metal in the slip band formation in the loaded specimens is revealed.

  6. Analytic description of the electron temperature behavior in the upper ionosphere and plasmasphere

    NASA Technical Reports Server (NTRS)

    Khazanov, G. V.; Nagy, A. F.; Gombosi, T. I.; Koen, M. A.; Cariglia, S. J.

    1992-01-01

    Approximate analytic solutions to the well-known and commonly used time-dependent electron energy balance equation for the upper ionosphere and plasmasphere have been obtained and are discussed. The various potential heating sources for the terrestrial plasmasphere are summarized and the corresponding electron temperatures and related characteristic heating and cooling times are calculated. A comparison between the analytic expressions for the temperature variations and relevant measurements shows excellent agreement.

  7. Electron distribution function behavior during localized transverse ion acceleration events in the topside auroral zone

    NASA Technical Reports Server (NTRS)

    Lynch, K. A.; Arnoldy, R. L.; Kintner, P. M.; Vago, J. L.

    1994-01-01

    The Topaz3 auroral sounding rocket made the following observations concerning the transfer of precipitating auroral electron energy to transverse ion acceleration in the topside auroral zone. During the course of the flight, the precipitating electron beam was modified to varying degrees by interaction with VLF hiss, at times changing the beam into a field-aligned plateau. The electron distribution functions throughout the flight are classified according to the extent of this modification, and correspondences with ion acceleration events are sought. The hiss power during most of this rocket flight apparently exceeded the threshold for collapse into solitary structures. At the times of plateaued electron distributions, the collapse of these structures was limited by Landau damping through the ambient ions, resulting in a velocity-dependent acceleration of both protons and oxygen. This initial acceleration is sufficient to supply the number flux of upflowing ions observed at satellite altitudes. The bursty ion acceleration was anticorrelated, on 1-s or smaller timescales, with dispersive bursts of precipitating field-aligned electrons, although on longer timescales the bursty ions and the bursty electrons are correlated.

  8. Collective electronic behaviors of laterally heterostructured armchair MoS{sub 2}-NbS{sub 2} nanoribbons

    SciTech Connect

    Wu, Nannan; Zhou, Wenzhe; Zou, Hui; Chen, Yu; Yang, Zhixiong; Xiong, Xiang; Ouyang, Fangping

    2015-08-28

    Based on density functional theory, we have investigated the electronic properties of molybdenum disulfide-niobium disulfide hybrid nanoribbons (MoS{sub 2}-NbS{sub 2} NRs). It is found that the MoS{sub 2} edge, MoS{sub 2} center, NbS{sub 2} edge, and NbS{sub 2} center have distinct contributions to the collective electronic behaviors of MoS{sub 2}-NbS{sub 2} NRs. Its behavior, metallic or semiconductor, depends on whether the central area of NR contains NbS{sub 2} chain or not. This dependence has been also revealed in the electronic structures of NbS{sub 2}-MoS{sub 2}-NbS{sub 2} NR and MoS{sub 2}-NbS{sub 2}-MoS{sub 2} NR, of which the former is semiconductor and the latter is metal. In comparison with MoS{sub 2} NR of the same width, the hybrid has a different bandgap that was caused by the coupled effects between NbS{sub 2} edge and MoS{sub 2} edge. This fact makes MoS{sub 2}-NbS{sub 2} NRs a possible candidate for nanoelectronic devices based on heterostructured transition-metal dichalcogenide.

  9. A triphenylamine-grafted imidazo[4,5-f][1,10]phenanthroline ruthenium(II) complex: acid-base and photoelectric properties.

    PubMed

    Fan, Su-Hua; Zhang, An-Guo; Ju, Chuan-Chuan; Gao, Li-Hua; Wang, Ke-Zhi

    2010-04-19

    A new heteroleptic ruthenium(II) complex of [Ru(Hipdpa)(Hdcbpy)(NCS)(2)](-).0.5H(+).0.5[N(C(4)H(9))(4)](+) Ru(Hipdpa) {where Hdcbpy = monodeprotonated 4,4'-dicarboxy-2,2'-bipyridine and Hipdpa = 4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-N,N-diphenylaniline} was synthesized and characterized by elementary analysis, standard spectroscopy techniques, and cyclic voltammetry. The ground- and excited-state acid-base properties of Ru(Hipdpa) were studied by means of UV-vis absorption spectrophotometric and spectrofluorimetric titrations in 4:1(v/v) Britton-Robinson/dimethylformamide buffer solution. The four-step separate protonation/deprotonation processes were found in the ground states, and one of which taking place near the physiological pH range. The two observable excited-state protonation/deprotonation processes were found for the Ru(Hipdpa), constituting pH-induced "off-on-off" emission switches. The performance of the complexes as photosensitizers in nanocrystalline TiO(2)-based liquid solar cells containing an electrolyte solution (0.05 M I(2), 0.5 M LiI, and 0.5 M 4-tert-butylpyridine in 50% acetonitrile and 50% propylene carbonate) was investigated and found to achieve a much improved device performance (a short-circuit photocurrent density of 18.7 mA cm(-2), an open-circuit voltage of 630 mV, and an overall conversion efficiency of 6.85%) compared to a triphenylamine-free parent complex [Ru(Hpip)(Hdcbpy)(NCS)(2)](-).[N(C(4)H(9))(4)](+)-based device {Hpip = 2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline} and a comparable performance to that of cis-bis(isothiocyanato)bis(2,2'-bipyridine-4,4'-dicarboxylic acid)ruthenium(II) (N3) under identical experimental conditions. A density functional theory calculation of the molecular structures and electronic properties of the complexes was also carried out in an effort to understand their effectiveness in TiO(2)-based solar cells.

  10. Identifying spawning behavior in Pacific halibut (Hippoglossus stenolepis) using electronic tags

    USGS Publications Warehouse

    Seitz, A.C.; Norcross, Brenda L.; Wilson, D.; Nielsen, J.L.

    2005-01-01

    Identifying spawning behavior in Pacific halibut, Hippoglossus stenolepis, is particularly challenging because they occupy a deep, remote environment during the spawning season. To identify spawning events, a method is needed in which direct observation by humans is not employed. Spawning behavior of seven other flatfish, species has been directly observed in their natural environment by investigators using SCUBA. All of these flatfish species display almost identical spawning behavior that follows a routine. Therefore, it is reasonable to believe that this spawning behavior occurs in other flatfish species, including Pacific halibut. As part of a larger study, we recaptured two Pacific halibut on which Pop-up Archival Transmitting (PAT) tags had been attached during the winter spawning season. Because the tags were physically retrieved, we were able to collect minute-by-minute depth records for 135 and 155 days. We used these depth data to tentatively identify spawning events. On seven separate occasions between 20 January 2001 and 9 February 2001, one fish displayed a conspicuous routine only seen during the spawning season of Pacific halibut and the routine parallels the actions of other spawning flatfish directly observed by humans using SCUBA. Therefore, we propose this routine represents spawning behavior in Pacific halibut. The second tagged fish did not display the conspicuous routine, thus challenging the assumption that Pacific halibut are annual spawners. PAT tags may prove to be a useful tool for identifying spawning events of Pacific halibut, and that knowledge may be used for improved management in the future. 

  11. Electron transport behaviors through donor-induced quantum dot array in heavily n-doped junctionless nanowire transistors

    SciTech Connect

    Ma, Liuhong; Han, Weihua Wang, Hao; Hong, Wenting; Lyu, Qifeng; Yang, Xiang; Yang, Fuhua

    2015-01-21

    We investigated single electron tunneling through a phosphorus donor-induced quantum dot array in heavily n-doped junctionless nanowire transistor. Seven subpeaks splitting in current oscillations are clearly observed due to the coupling of quantum dot array under the bias voltage below 1.0 mV at the temperature of 6 K. The conduction system can be well described by a two-band Hubbard model. The activation energy of phosphorus donors is tuned by the gate voltage to be 7.0 meV for the lower Hubbard band and 4.4 meV for the upper Hubbard band due to the localization effects below threshold voltage. The evolution of electron behaviors in the quantum dots is identified by adjusting the gate voltage from quantum-dot regime to one-dimensional regime.

  12. Temperature behavior of the conduction electrons in the nitrogen-doped 3C SiC monocrystals as studied by electron spin resonance

    NASA Astrophysics Data System (ADS)

    Savchenko, D.; Kalabukhova, E.; Prokhorov, A.; Lančok, J.; Shanina, B.

    2017-01-01

    The temperature behavior of the electron spin resonance (ESR) spectra of nitrogen donors in n-type bulk 3C SiC monocrystals with (ND - NA) ≈ 1017 cm-3 was studied at T = 10-50 K. The triplet lines due to the hyperfine (hf) interaction with 14N nuclei (I = 1, 99.6%) along with a single line with similar isotropic g values of 2.0050(3) were observed in the ESR spectrum of n-type 3C SiC monocrystals in the temperature interval from 10 to 35 K. The observed reduction of the hf splitting for the nitrogen donor residing cubic position (Nk) in the temperature interval from 15 to 35 K was attributed to the motion narrowing effect of the hf splitting. With further increase of the temperature up to 35 K, only one single line with a Lorentzian lineshape was observed in the ESR spectrum of n-type 3C SiC, which was previously assigned in the literature to the unknown deeper donor center. Based on the temperature behavior of the ESR linewidth, integral intensity, and g-value, we have attributed this signal to the conduction electrons (CEs). The temperature dependence of the CE ESR linewidth was described by an exponential law (Orbach process) with the value of the activation energy ΔE ≈ 40 meV close to the energy separation between 1 s(E) excited energy level and conduction band for nitrogen donors. The nitrogen donor pairs were found in the ESR spectrum of n-type 3C SiC. The electrical characteristics of 3C SiC sample were studied by using the contact-free microwave conductivity. The energy ionization of nitrogen donor Ei = 51.4 meV was obtained from the fitting of the experimental data with the theory.

  13. Treatment of canine acral lick dermatitis by behavior modification using electronic stimulation.

    PubMed

    Eckstein, R A; Hart, B L

    1996-01-01

    Canine acral lick dermatitis is characterized by excessive licking on areas of one or more limbs, usually near the carpus or tarsus. In this prospective study, five dogs with acral lick dermatitis were treated with remote punishment utilizing precisely controlled, momentary shock from an electronic training collar. The problem resolved in four dogs. Resolution was defined as one month in which no shocks (i.e., no electronic shock collar worn) or Elizabethan collars were utilized and no licking had occurred sufficiently to recreate a gross skin lesion. Relapse during the follow-up period of six-to-12 months occurred in two dogs, but licking stopped after brief retraining periods.

  14. Vacuum Outgassing Behavior of Carbon Nanotube Cathode with High-Intensity Pulsed Electron Emission

    NASA Astrophysics Data System (ADS)

    Shen, Yi; Zhang, Huang; Xia, Liansheng; Liu, Xingguang; Pan, Haifeng; Lv, Lu; Yang, Anmin; Shi, Jinshui; Zhang, Linwen; Deng, Jianjun

    2015-02-01

    Experimental investigations on the vacuum outgassing of a carbon nanotube (CNT) cathode with high-intensity pulsed electron emission on a 2 MeV linear induction accelerator injector are presented. Under the 1.60 MV diode voltage, the CNT cathode could provide 1.67 kA electron beam with the amount of outgassing of about 0.51 Pa·L. It is found that the amount of outgassing, which determines the cathode emission current, depends on the diode voltage and the vacuum.

  15. Plasmonic behavior of gold nanorod heterodimers with free-electron feed

    SciTech Connect

    Maiti, Arpan; Maity, Achyut; Chini, Tapas Kumar

    2015-06-24

    The plasmon coupling between metal nanostructures can lead to huge local electric field enhancement and new plasmon modes. Here, we study the effect of the close proximity of two gold nanorod particles on the modification of localized surface plasmon (LSP) modes of the individual on gold nanorod in spectral and spatial domain using cathodoluminescence (CL) spectroscopy and imaging in a high resolution scanning electron microscope (SEM). Significantly enhanced resonant emission is observed from the nanorod dimers when the electron beam is injected around the junction between the rods, where the local density of electromagnetic states is raised.

  16. Transmission and scanning electron microscope study on the secondary cyclic hardening behavior of interstitial-free steel

    SciTech Connect

    Shih, Chia-Chang; Ho, New-Jin; Huang, Hsing-Lu

    2009-11-15

    Strain controlled fatigue experiment was employed to evaluate automotive grade interstitial-free ferrite steel. Hundreds of grains were examined by scanning electron microscope under electron channeling contrast image technique of backscattered electron image mode for comprehensive comparison of micrographs with those taken under transmission electron microscope. The cyclic stress responses clearly revealed that rapid hardening occurs at the early stage of cycling as a result of multiplication of dislocations to develop loop patches, dipolar walls and dislocation cells at various total strain amplitudes. After primary rapid hardening, stress responses varied from being saturated to further hardening according to dislocation structure evolution at various strain amplitudes. The fatigue failure was always accompanied with further hardening including secondary hardening. The corresponding dislocation structures with the three types of hardening behaviors are discussed. Once the secondary hardening starts, dislocation cells began to develop along grain boundaries in the low strain region and then extended into grain interiors as strain amplitudes increased and cycling went on. The secondary hardening rates were found to be directly proportional to their strain amplitudes.

  17. Spatially-resolved mapping of history-dependent coupled electrochemical and electronical behaviors of electroresistive NiO

    DOE PAGES

    Sugiyama, Issei; Kim, Yunseok; Jesse, Stephen; ...

    2014-10-22

    Bias-induced oxygen ion dynamics underpins a broad spectrum of electroresistive and memristive phenomena in oxide materials. Although widely studied by device-level and local voltage-current spectroscopies, the relationship between electroresistive phenomena, local electrochemical behaviors, and microstructures remains elusive. Here, the interplay between history-dependent electronic transport and electrochemical phenomena in a NiO single crystalline thin film with a number of well-defined defect types is explored on the nanometer scale using an atomic force microscopy-based technique. A variety of electrochemically-active regions were observed and spatially resolved relationship between the electronic and electrochemical phenomena was revealed. The regions with pronounced electroresistive activity were furthermore » correlated with defects identified by scanning transmission electron microscopy. Using fully coupled mechanical-electrochemical modeling, we illustrate that the spatial distribution of strain plays an important role in electrochemical and electroresistive phenomena. In conclusion, these studies illustrate an approach for simultaneous mapping of the electronic and ionic transport on a single defective structure level such as dislocations or interfaces, and pave the way for creating libraries of defect-specific electrochemical responses.« less

  18. Spatially-resolved mapping of history-dependent coupled electrochemical and electronical behaviors of electroresistive NiO

    SciTech Connect

    Sugiyama, Issei; Kim, Yunseok; Jesse, Stephen; Strelcov, Evgheni; Kumar, Amit; Tselev, Alexander; Rahani, Ehasan Kabiri; Shenoy, Vivek B.; Yamamoto, Takahisa; Shibata, Naoya; Ikuhara, Yuichi; Kalinin, Sergei V.

    2014-10-22

    Bias-induced oxygen ion dynamics underpins a broad spectrum of electroresistive and memristive phenomena in oxide materials. Although widely studied by device-level and local voltage-current spectroscopies, the relationship between electroresistive phenomena, local electrochemical behaviors, and microstructures remains elusive. Here, the interplay between history-dependent electronic transport and electrochemical phenomena in a NiO single crystalline thin film with a number of well-defined defect types is explored on the nanometer scale using an atomic force microscopy-based technique. A variety of electrochemically-active regions were observed and spatially resolved relationship between the electronic and electrochemical phenomena was revealed. The regions with pronounced electroresistive activity were further correlated with defects identified by scanning transmission electron microscopy. Using fully coupled mechanical-electrochemical modeling, we illustrate that the spatial distribution of strain plays an important role in electrochemical and electroresistive phenomena. In conclusion, these studies illustrate an approach for simultaneous mapping of the electronic and ionic transport on a single defective structure level such as dislocations or interfaces, and pave the way for creating libraries of defect-specific electrochemical responses.

  19. Atypical behavior in the electron capture induced dissociation of biologically relevant transition metal ion complexes of the peptide hormone oxytocin

    NASA Astrophysics Data System (ADS)

    Kleinnijenhuis, Anne J.; Mihalca, Romulus; Heeren, Ron M. A.; Heck, Albert J. R.

    2006-07-01

    Doubly protonated ions of the disulfide bond containing nonapeptide hormone oxytocin and oxytocin complexes with different transition metal ions, that have biological relevance under physiological conditions, were subjected to electron capture dissociation (ECD) to probe their structural features in the gas phase. Although, all the ECD spectra were strikingly different, typical ECD behavior was observed for complexes of the nonapeptide hormone oxytocin with Ni2+, Co2+ and Zn2+, i.e., abundant c/z' and a'/y backbone cleavages and ECD characteristic S-S and S-C bond cleavages were observed. We propose that, although in the oxytocin-transition metal ion complexes the metal ions serve as the main initial capture site, the captured electron is transferred to other sites in the complex to form a hydrogen radical, which drives the subsequent typical ECD fragmentations. The complex of oxytocin with Cu2+ displayed noticeably different ECD behavior. The fragment ions were similar to fragment ions typically observed with low-energy collision induced dissociation (CID). We propose that the electrons captured by the oxytocin-Cu2+ complex might be favorably involved in reducing the Cu2+ metal ion to Cu+. Subsequent energy redistribution would explain the observed low-energy CID-type fragmentations. Electron capture resulted also in quite different specific cleavage sites for the complexes of oxytocin with Ni2+, Co2+ and Zn2+. This is an indication for structural differences in these complexes possibly linked to their significantly different biological effects on oxytocin-receptor binding, and suggests that ECD may be used to study subtle structural differences in transition metal ion-peptide complexes.

  20. Behaviorism

    ERIC Educational Resources Information Center

    Moore, J.

    2011-01-01

    Early forms of psychology assumed that mental life was the appropriate subject matter for psychology, and introspection was an appropriate method to engage that subject matter. In 1913, John B. Watson proposed an alternative: classical S-R behaviorism. According to Watson, behavior was a subject matter in its own right, to be studied by the…

  1. Exploring the correlated phase behavior and electronic properties of parent and doped spin-orbit Mott phases

    NASA Astrophysics Data System (ADS)

    Wilson, Stephen

    2014-03-01

    An unusual manifestation of Mott physics dependent on strong spin-orbit interactions has recently been identified in a growing number of classes of 5d transition metal oxides built from Ir4+ ions. Instead of the naively expected increased itinerancy of these iridates due to the larger orbital extent of their 5d valence electrons, the interplay between the amplified relativistic spin-orbit interaction (intrinsic to large Z iridium cations) and their residual on-site Coulomb interaction U, conspires to stabilize a novel class of spin-orbit assisted Mott insulators with a proposed Jeff = 1/2 ground state wavefunction. The identification of this novel spin-orbit Mott state has been the focus of recent interest due to its potential of hosting a variety of new phases driven by correlated electron phenomena (such as high temperature superconductivity or enhanced ferroic behavior) in a strongly spin-orbit coupled setting. Currently, however, there remains very little understanding of how spin-orbit Mott phases respond to carrier doping and, more specifically, how relevant U remains for the charge carriers of a spin-orbit Mott phase once the bandwidth is increased. Here I will present our group's recent experimental work exploring carrier doping and the resulting electronic phase behavior in one such spin-orbit driven Mott material, Sr3Ir2O7, with the ultimate goal of determining the relevance of U and electron correlation effects within the doped system's ground state. Our results reveal the stabilization of an electronically phase separated ground state in B-site doped Sr3Ir2O7, suggestive of an extended regime of localization of in-plane doped carriers within the spin-orbit Mott phase. This results in a percolative metal-to-insulator transition with a novel, global, antiferromagnetic order. The electronic response of B-site doping in Sr3Ir2O7will then be compared with recent results exploring A-site doping if time permits. Supported by NSF CAREER Award DMR-1056625.

  2. Understanding catalyst behavior during in situ heating through simultaneous secondary and transmitted electron imaging

    DOE PAGES

    Howe, Jane Y.; Allard, Jr., Lawrence Frederick; Demers, Hendrix; ...

    2014-11-14

    In situ heating study via a simultaneous secondary electron (SE) and transmitted electron (TE) microscopy is extremely insightful because information from the surface (SE) and bulk (TE) can be readily obtained. The leached Au/Fe2O3 catalyst has voids on the surface of Fe2O3. Upon heating to 500 °C, voids shrank and disappeared, while internal Au species diffused to the surface to form new nanoparticles. Heating in vacuum reduced Fe2O3 to Fe3O4. Heating at 700 °C caused coalescence and growth of Au particles and formation of faceted Fe3O4 surfaces. We achieved 1.1 nm resolution in SE imaging during in situ heating.

  3. The structural, electronic and phonon behavior of CsPbI3: A first principles study

    NASA Astrophysics Data System (ADS)

    Bano, Amreen; Khare, Preeti; Parey, Vanshree; Shukla, Aarti; Gaur, N. K.

    2016-05-01

    Metal halide perovskites are optoelectronic materials that have attracted enormous attention as solar cells with power conversion efficiencies reaching 20%. The benefit of using hybrid compounds resides in their ability to combine the advantage of these two classes of compounds: the high mobility of inorganic materials and the ease of processing of organic materials. In spite of the growing attention of this new material, very little is known about the electronic and phonon properties of the inorganic part of this compounds. A theoretical study of structural, electronic and phonon properties of metal-halide cubic perovskite, CsPbI3 is presented, using first-principles calculations with planewave pseudopotential method as personified in PWSCF code. In this approach local density approximation (LDA) is used for exchange-correlation potential.

  4. Chemistry of SOFC Cathode Surfaces: Fundamental Investigation and Tailoring of Electronic Behavior

    SciTech Connect

    Yildiz, Bilge; Heski, Clemens

    2013-08-31

    1) Electron tunneling characteristics on La0.7Sr0.3MnO3 (LSM) thin-film surfaces were studied up to 580oC in 10-3mbar oxygen pressure, using scanning tunneling microscopy/ spectroscopy (STM/STS). A threshold-like drop in the tunneling current was observed at positive bias in STS, which is interpreted as a unique indicator for the activation polarization in cation oxygen bonding on LSM cathodes. Sr-enrichment was found on the surface at high temperature using Auger electron spectroscopy, and was accompanied by a decrease in tunneling conductance in STS. This suggests that Sr-terminated surfaces are less active for electron transfer in oxygen reduction compared to Mn-terminated surfaces on LSM. 2) Effects of strain on the surface cation chemistry and the electronic structure are important to understand and control for attaining fast oxygen reduction kinetics on transition metal oxides. Here, we demonstrate and mechanistically interpret the strain coupling to Sr segregation, oxygen vacancy formation, and electronic structure on the surface of La0.7Sr0.3MnO3 (LSM) thin films as a model system. Our experimental results from x-ray photoelectron spectroscopy and scanning tunneling spectroscopy are discussed in light of our first principles-based calculations. A stronger Sr enrichment tendency and a more facile oxygen vacancy formation prevail for the tensile strained LSM surface. The electronic structure of the tensile strained LSM surface exhibits a larger band gap at room temperature, however, a higher tunneling conductance near the Fermi level than the compressively strained LSM at elevated temperatures in oxygen. Our findings suggest lattice strain as a key parameter to tune the reactivity of perovskite transition metal oxides with oxygen in solid oxide fuel cell cathodes. 3) Cation segregation on perovskite oxide surfaces affects vastly the oxygen reduction activity and stability of solid oxide fuel cell (SOFC) cathodes. A unified theory that explains the physical

  5. Non adiabatic electron behavior through a supercritical perpendicular collisionless shock: Impact of the shock front turbulence

    NASA Astrophysics Data System (ADS)

    Savoini, P.; Lembege, B.

    2010-11-01

    Adiabatic and nonadiabatic electrons transmitted through a supercritical perpendicular shock wave are analyzed with the help of test particle simulations based on field components issued from 2 - D full-particle simulation. A previous analysis (Savoini et al., 2005) based on 1 - D shock profile, including mainly a ramp (no apparent foot) and defined at a fixed time, has identified three distinct electron populations: adiabatic, overadiabatic, and underadiabatic, respectively, identified by μds/μus ≈ 1, >1 and <1, where μus and μds are the magnetic momenta in the upstream and downstream regions. Presently, this study is extended by investigating the impact of the time evolution of 2 - D shock front dynamics on these three populations. Analysis of individual time particle trajectories is performed and completed by statistics based on the use of different upstream velocity distributions (spherical shell of radius vshell and a Maxwellian with thermal velocity vthe). In all statistics, the three electron populations are clearly recovered. Two types of shock front nonstationarity are analyzed. First, the impact of the nonstationarity along the shock normal (due to the front self-reformation only) strongly depends on the values of vshell or vthe. For low values, the percentages of adiabatic and overadiabatic electrons are almost comparable but become anticorrelated under the filtering impact of the self-reformation; the percentage of the underadiabatic population remains almost unchanged. In contrast, for large values, this impact becomes negligible and the adiabatic population alone becomes dominant. Second, when 2 - D nonstationarity effects along the shock front (moving rippling) are fully included, all three populations are strongly diffused, leading to a larger heating; the overadiabatic population becomes largely dominant (and even larger than the adiabatic one) and mainly contributes to the energy spectrum.

  6. Novel Electronic Behavior Driving NdNiO3 Metal-Insulator Transition

    NASA Astrophysics Data System (ADS)

    Upton, M. H.; Choi, Yongseong; Park, Hyowon; Liu, Jian; Meyers, D.; Chakhalian, J.; Middey, S.; Kim, Jong-Woo; Ryan, Philip J.

    2015-07-01

    We present evidence that the metal-insulator transition (MIT) in a tensile-strained NdNiO3 (NNO) film is facilitated by a redistribution of electronic density and that it neither requires Ni charge disproportionation nor a symmetry change [U. Staub et al., Phys. Rev. Lett. 88, 126402 (2002); R. Jaramillo et al., Nat. Phys. 10, 304 (2014)]. Given that epitaxial tensile strain in thin NNO films induces preferential occupancy of the eg dx2-y2 orbital we propose that the larger transfer integral of this orbital state with the O 2 p orbital state mediates a redistribution of electronic density from the Ni atom. A decrease in the Ni dx2-y2 orbital occupation is directly observed by resonant inelastic x-ray scattering below the MIT temperature. Furthermore, an increase in the Nd charge occupancy is measured by x-ray absorption at the Nd L3 edge. Both spin-orbit coupling and crystal field effects combine to break the degeneracy of the Nd 5 d states, shifting the energy of the Nd eg dx2-y2 orbit towards the Fermi level, allowing the A site to become an active acceptor during the MIT. This work identifies the relocation of electrons from the Ni 3 d to the Nd 5 d orbitals across the MIT. We propose that the insulating gap opens between the Ni 3 d and O 2 p states, resulting from Ni 3 d electron localization. The transition seems to be neither a purely Mott-Hubbard transition nor a simple charge transfer.

  7. Coordination Sphere Tuning of the Electron Transfer Dissociation Behavior of Cu(II)-Peptide Complexes

    NASA Astrophysics Data System (ADS)

    Dong, Jia; Vachet, Richard W.

    2012-02-01

    In contrast to previous electron capture dissociation (ECD) studies, we find that electron transfer dissociation (ETD) of Cu(II)-peptide complexes can generate c- and z-type product ions when the peptide has a sufficient number of strongly coordinating residues. Double-resonance experiments, ion-molecule reactions, and collision-induced dissociation (CID) prove that the c and z product ions are formed via typical radical pathways without the associated reduction of Cu(II), despite the high second ionization energy of Cu. A positive correlation between the number of Cu(II) binding groups in the peptide sequence and the extent of c and z ion formation was also observed. This trend is rationalized by considering that the recombination energy of Cu(II) can be lowered by strong binding ligands to an extent that enables electron transfer to non-Cu sites (e.g., protonation sites) to compete with Cu(II) reduction, thereby generating c/z ions in a manner similar to that observed for protonated (i.e., nonmetalated) peptides.

  8. Electron and carbon balances in microbial fuel cells reveal temporary bacterial storage behavior during electricity generation.

    PubMed

    Freguia, Stefano; Rabaey, Korneel; Yuan, Zhiguo; Keller, Jürg

    2007-04-15

    Microbial fuel cells (MFCs) are emerging as a novel technology with a great potential to reduce the costs of wastewater treatment. Their most studied application is organic carbon removal. One of the parameters commonly used to quantify the performance of these cells is the Coulombic efficiency, i.e., the electron recovery as electricity from the removed substrate. However, the "inefficiencies" of the process have never been fully identified. This study presents a method that uses the combination of electrochemical monitoring, chemical analysis, and a titration and off-gas analysis (TOGA) sensor to identify and quantify the sources of electron loss. The method was used successfully to close electron, carbon, and proton balances in acetate and glucose fed microbial fuel cells. The method revealed that in the case that a substrate is loaded as pulses carbon is stored inside the cells during initial high substrate conditions and consumed during starvation, with up to 57% of the current being generated after depletion of the external carbon source. Nile blue staining of biomass samples revealed lipophilic inclusions during high substrate conditions, thus confirming the storage of polymeric material in the bacterial cells. The method also allows for indirect measurement of growth yields, which ranged from 0 to 0.54 g biomass-C formed per g substrate-C used, depending on the type of substrate and the external resistance of the circuit.

  9. Temperature dependent behavior of localized and delocalized electrons in nitrogen-doped 6H SiC crystals as studied by electron spin resonance

    SciTech Connect

    Savchenko, D.; Kalabukhova, E.; Shanina, B.; Kiselov, V.; Cichoň, S.; Honolka, J.; Mokhov, E.

    2016-01-28

    We have studied the temperature behavior of the electron spin resonance (ESR) spectra of nitrogen (N) donors in n-type 6H SiC crystals grown by Lely and sublimation sandwich methods (SSM) with donor concentration of 10{sup 17 }cm{sup −3} at T = 60–150 K. A broad signal in the ESR spectrum was observed at T ≥ 80 K with Lorentzian lineshape and g{sub ||} = 2.0043(3), g{sub ⊥} = 2.0030(3), which was previously assigned in the literature to the N donors in the 1s(E) excited state. Based on the analysis of the ESR lineshape, linewidth and g-tensor we attribute this signal to the conduction electrons (CE). The emergence of the CE ESR signal at T > 80 K was explained by the ionization of electrons from the 1s(A{sub 1}) ground and 1s(E) excited states of N donors to the conduction band while the observed reduction of the hyperfine (hf) splitting for the N{sub k1,k2} donors with the temperature increase is attributed to the motional narrowing effect of the hf splitting. The temperature dependence of CE ESR linewidth is described by an exponential law (Orbach process) with the activation energy corresponding to the energy separation between 1s(A{sub 1}) and 1s(E) energy levels for N residing at quasi-cubic sites (N{sub k1,k2}). The theoretical analysis of the temperature dependence of microwave conductivity measured by the contact-free method shows that due to the different position of the Fermi level in two samples the ionization of free electrons occurs from the energy levels of N{sub k1,k2} donors in Lely grown samples and from the energy level of N{sub h} residing at hexagonal position in 6H SiC grown by SSM.

  10. Ionic and electronic behaviors of earth-abundant semiconductor materials and their applications toward solar energy harvesting

    NASA Astrophysics Data System (ADS)

    Mayer, Matthew T.

    Semiconductor devices offer promise for efficient conversion of sunlight into other useful forms of energy, in either photovoltaic or photoelectrochemical cell configurations to produce electrical power or chemical energy, respectively. This dissertation examines ionic and electronic phenomena in some candidate semiconductors and seeks to understand their implications toward solar energy conversion applications. First, copper sulfide (Cu2S) was examined as a candidate photovoltaic material. It was discovered that its unique property of cation diffusion allows the room-temperature synthesis of vertically-aligned nanowire arrays, a morphology which facilitates study of the diffusion processes. This diffusivity was found to induce hysteresis in the electronic behavior, leading to the phenomena of resistive switching and negative differential resistance. The Cu2S were then demonstrated as morphological templates for solid-state conversion into different types of heterostructures, including segmented and rod-in-tube morphologies. Near-complete conversion to ZnS, enabled by the out-diffusion of Cu back into the substrate, was also achieved. While the ion diffusion property likely hinders the reliability of Cu 2S in photovoltaic applications, it was shown to enable useful electronic and ionic behaviors. Secondly, iron oxide (Fe2O3, hematite) was examined as a photoanode for photoelectrochemical water splitting. Its energetic limitations toward the water electrolysis reactions were addressed using two approaches aimed at achieving greater photovoltages and thereby improved water splitting efficiencies. In the first, a built-in n-p junction produced an internal field to drive charge separation and generate photovoltage. In the second, Fe 2O3 was deposited onto a smaller band gap material, silicon, to form a device capable of producing enhanced total photovoltage by a dual-absorber Z-scheme mechanism. Both approaches resulted in a cathodic shift of the photocurrent onset

  11. Evolutionary Conservation of pou5f3 Genomic Organization and Its Dynamic Distribution during Embryogenesis and in Adult Gonads in Japanese Flounder Paralichthys olivaceus

    PubMed Central

    Gao, Jinning; Wang, Xubo; Zhang, Quanqi

    2017-01-01

    Octamer-binding transcription factor 4 (Oct4) is a member of POU (Pit-Oct-Unc) transcription factor family Class V that plays a crucial role in maintaining the pluripotency and self-renewal of stem cells. Though it has been deeply investigated in mammals, its lower vertebrate homologue, especially in the marine fish, is poorly studied. In this study, we isolated the full-length sequence of Paralichthys olivaceus pou5f3 (Popou5f3), and we found that it is homologous to mammalian Oct4. We identified two transcript variants with different lengths of 3′-untranslated regions (UTRs) generated by alternative polyadenylation (APA). Quantitative real-time RT-PCR (qRT-PCR), in situ hybridization (ISH) and immunohistochemistry (IHC) were implemented to characterize the spatial and temporal expression pattern of Popou5f3 during early development and in adult tissues. Our results show that Popou5f3 is maternally inherited, abundantly expressed at the blastula and early gastrula stages, then greatly diminishes at the end of gastrulation. It is hardly detectable from the heart-beating stage onward. We found that Popou5f3 expression is restricted to the adult gonads, and continuously expresses during oogenesis while its dynamics are downregulated during spermatogenesis. Additionally, numerous cis-regulatory elements (CRE) on both sides of the flanking regions show potential roles in regulating the expression of Popou5f3. Taken together, these findings could further our understanding of the functions and evolution of pou5f3 in lower vertebrates, and also provides fundamental information for stem cell tracing and genetic manipulation in Paralichthys olivaceus. PMID:28124980

  12. Expression analysis of Cdx2 and Pou5f1 in a marsupial, the stripe-faced dunnart, during early development.

    PubMed

    Familari, Mary; Au, Phil Chi Khang; de Iongh, Robb U; Cruz, Yolanda; Selwood, Lynne

    2016-02-01

    The first lineage allocation during mouse development forms the trophectoderm and inner cell mass, in which Cdx2 and Pou5f1 display reciprocal expression. Yet Cdx2 is not required for trophectoderm specification in other mammals, such as the human, cow, pig, or in two marsupials, the tammar and opossum. The role of Cdx2 and Pou5f1 in the first lineage allocation of Sminthopsis macroura, the stripe-faced dunnart, is unknown. In this study, expression of Cdx2 and Pou5f1 during oogenesis, development from cleavage to blastocyst stages, and in the allocation of the first three lineages was analyzed for this dunnart. Cdx2 mRNA was present in late antral-stage oocytes, but not present again until Day 5.5. Pou5f1 mRNA was present from primary follicles to zygotes, and then expression resumed starting at the early unilaminar blastocyst stage. All cleavage stages and the pluriblast and trophoblast cells co-expressed CDX2 and POU5F1 proteins, which persisted until early stages of hypoblast formation. Hypoblast cells also show co-localisation of POU5F1 and CDX2 once they were allocated, and this persisted during their division and migration. Our studies suggest that CDX2, and possibly POU5F1, are maternal proteins, and that the first lineage to differentiate is the trophoblast, which differentiates to trophectoderm after shell loss one day before implantation. In the stripe-faced dunnart, cleavage cells, as well as trophoblast and pluriblast cells, are polarized, suggesting the continued presence of CDX2 in both lineages until late blastocyst stages may play a role in the formation and maintenance of polarity.

  13. Alternative Chemical Cleaning Methods for High Level Waste Tanks: Actual Waste Testing with SRS Tank 5F Sludge

    SciTech Connect

    King, William D.; Hay, Michael S.

    2016-08-30

    Solubility testing with actual High Level Waste tank sludge has been conducted in order to evaluate several alternative chemical cleaning technologies for the dissolution of sludge residuals remaining in the tanks after the exhaustion of mechanical cleaning and sludge sluicing efforts. Tests were conducted with archived Savannah River Site (SRS) radioactive sludge solids that had been retrieved from Tank 5F in order to determine the effectiveness of an optimized, dilute oxalic/nitric acid cleaning reagent toward dissolving the bulk non-radioactive waste components. Solubility tests were performed by direct sludge contact with the oxalic/nitric acid reagent and with sludge that had been pretreated and acidified with dilute nitric acid. For comparison purposes, separate samples were also contacted with pure, concentrated oxalic acid following current baseline tank chemical cleaning methods. One goal of testing with the optimized reagent was to compare the total amounts of oxalic acid and water required for sludge dissolution using the baseline and optimized cleaning methods. A second objective was to compare the two methods with regard to the dissolution of actinide species known to be drivers for SRS tank closure Performance Assessments (PA). Additionally, solubility tests were conducted with Tank 5 sludge using acidic and caustic permanganate-based methods focused on the “targeted” dissolution of actinide species.

  14. Arrhenius Behavior of Electron Attachment to CH3Br from 303 to 1100 K

    DTIC Science & Technology

    2013-12-21

    dissociating state grows. Among otable experimental results are early evidence by Wentworth t al. [2], Bansal and Fessenden [3], and Mothes [4] that...et al.) [7], 6.0×10−12 (293K, Levy et al.) [8], 7.0×10−12 (298K, Bansal and Fessenden) [3], 3.6×10−12 (300K, Mothes et al.) [4], and1.0×10−11 (Schindler...quoted by Mothes et al.) [4]. Many older reports do not specify an uncertainty. The electron capture rate coefficientmaybe calculated [28] as ka

  15. Stabilization of Tetravalent 4f (Ce), 5d (Hf), or 5f (Th, U) Clusters by the [α-SiW9O34](10-) Polyoxometalate.

    PubMed

    Duval, Sylvain; Béghin, Sébastien; Falaise, Clément; Trivelli, Xavier; Rabu, Pierre; Loiseau, Thierry

    2015-09-08

    The reaction of Na10[α-SiW9O34] with tetravalent metallic cations such as 4f ((NH4)2Ce(NO3)6), 5d (HfCl4), or 5f (UCl4 and Th(NO3)4) in a pH 4.7 sodium acetate buffer solution leads to the formation of four sandwich-type polyoxometalates [Ce4(μ(3)-O)2(SiW9O34)2(CH3COO)2](10-) (1), [U4(μ(3)-O)2(SiW9O34)2(CH3COO)2](10-) (2), [Th3(μ(3)-O)(μ(2)-OH)3(SiW9O34)2](13-) (3), and [Hf3(μ(2)-OH)3(SiW9O34)2](11-) (4). All four compounds consist of a polynuclear cluster fragment stabilized by two [α-SiW9O34](10-) polyanions. Compounds 1 and 2 are isostructural with a tetranuclear core (Ce4, U4), while compound 3 presents a trinuclear Th3 core bearing a μ(3)-O-centered bridge. It is an unprecedented configuration in the case of the thorium(IV) cluster. Compound 4 also possesses a trinuclear Hf3 core but with the absence of the μ(3)-O bridge. The molecules have been characterized by single-crystal X-ray diffraction, (183)W and (29)Si nuclear magnetic resonance (NMR) spectroscopy, infrared (IR) spectroscopy, thermogravimetric analysis (TGA), and scanning electron microscopy/energy-dispersive X-ray (SEM/EDX) analysis.

  16. Long Term Multiplication Behavior Studies of the 30cmx 30cm prototype Gas electron Multiplier

    NASA Astrophysics Data System (ADS)

    Ng, Ying Wun Yvonne; Yu, Jaehoon; Park, Seongtae; White, Andy

    2014-03-01

    The Gas Electron Multiplier (GEM) technology is one of the next generation radiation detector technologies that utilized the ionization in gaseous medium and the electron avalanche to detect a magnified charge value from various radiation and charge particles. With its low building cost, low discharge rate and high resolution, GEM is currently being considered to be one of the candidate gap detectors for the International Linear Collider (ILC) in Japan. It is therefore of crucial for us to study the long term stability of amplification power of the detector. Using cosmic radiation as our radiation source, data has been taken continuously in the past 2 years by the high energy physics group in University of Texas at Arlington to characterize the stability of the 30cmx30cm detector. Effect of atmospheric pressure to the detector amplification is eliminated by a correction algorithm. Noise study has been done to eliminate excessive noise produced by the detector as well as its readout chip. Result shows that the detector gives us a stable 35fC average MPV for the cosmic MIPs with few fC of chamber noise and about 0.5 of chip noise. GEM should work well as a digital calorimeter for uses in the ILC project.

  17. Structure and electronic behavior of 26-atom Cu-Ag and Cu-Au nanoalloys

    NASA Astrophysics Data System (ADS)

    Guzmán-Ramírez, Gregorio; Robles, Juvencio; Aguilera-Granja, Faustino

    2016-09-01

    We hereby present a density functional theory (DFT) study of the structural, energetic, and electronic properties of the binary clusters Cu n X26- n (with X = Ag and Au). Our electronic calculations were performed with the DFT package GAUSSIAN 09, and we chose the BPW91 exchange correlation functional in combination with an effective core potential LANL2DZ basis set as our level of theory. We find that in the case of these clusters and in a completely different way - as compared to the bulk chemical order observed in both alloys CuAg (segregation) and CuAu (ordering) -, for small n both Ag and Au clusters exhibit a similar chemical order, finding the Cu atoms in the center of the cluster with the tendency to form core shell structures. On the other hand, for large n values the Ag and Au atoms tend to occupy surface positions forming separated surface islands that keep the two metal atoms separated as long as the concentration allows it. Concerning the structural properties, a clear increase in the interatomic distance of the Ag-Ag and Au-Au surface pairs is observed, particularly in the equiatomic region. In conclusion, both nanoalloys CuAg and CuAu behave quite similarly in contrast to their respective bulk cases.

  18. Study on Synergistic Mechanism of Inhibitor Mixture Based on Electron Transfer Behavior

    PubMed Central

    Han, Peng; He, Yang; Chen, Changfeng; Yu, Haobo; Liu, Feng; Yang, Hong; Ma, Yue; Zheng, Yanjun

    2016-01-01

    Mixing is an important method to improve the performance of surfactants due to their synergistic effect. The changes in bonding interaction and adsorption structure of IM and OP molecules before and after co-adsorbed on Fe(001) surface is calculated by DFTB+ method. It is found that mixture enable the inhibitor molecules with higher EHOMO donate more electrons while the inhibitor molecules with lower ELUMO accept more electrons, which strengthens the bonding interaction of both inhibitor agent and inhibitor additive with metal surface. Meanwhile, water molecules in the compact layer of double electric layer are repulsed and the charge transfer resistance during the corrosion process increases. Accordingly, the correlation between the frontier orbital (EHOMO and ELUMO of inhibitor molecules and the Fermi level of metal) and inhibition efficiency is determined. Finally, we propose a frontier orbital matching principle for the synergistic effect of inhibitors, which is verified by electrochemical experiments. This frontier orbital matching principle provides an effective quantum chemistry calculation method for the optimal selection of inhibitor mixture. PMID:27671332

  19. XTREME OPTICS: the behavior of cavity optics for the Jefferson Lab free-electron laser

    SciTech Connect

    Michelle D. Shinn; Christopher Behre; Stephen Benson; David Douglas; Fred Dylla; Christopher Gould; Joseph Gubeli; David Hardy; Kevin Jordan; George Neil; and Shukui Zhanga

    2006-09-25

    The cavity optics within high power free-electron lasers based on energy-recovering accelerators are subjected to extreme conditions associated with illumination from a broad spectrum of radiation, often at high irradiances. This is especially true for the output coupler, where absorption of radiation by both the mirror substrate and coating places significant design restrictions to properly manage heat load and prevent mirror distortion. Besides the fundamental lasing wavelength, the mirrors are irradiated with light at harmonics of the fundamental, THz radiation generated by the bending magnets downstream of the wiggler, and x-rays produced when the electron beam strikes accelerator diagnostic components (e.g., wire scanners and view screens) or from inadvertent beam loss. The optics must reside within high vacuum at ~ 10-8 Torr and this requirement introduces its own set of complications. This talk discusses the performance of numerous high reflector and output coupler optics assemblies and provides a detailed list of lessons learned gleaned from years of experience operating the Upgrade IR FEL, a 10 kW-class, sub-ps laser with output wavelength from 1 to 6 microns.

  20. Study on Synergistic Mechanism of Inhibitor Mixture Based on Electron Transfer Behavior

    NASA Astrophysics Data System (ADS)

    Han, Peng; He, Yang; Chen, Changfeng; Yu, Haobo; Liu, Feng; Yang, Hong; Ma, Yue; Zheng, Yanjun

    2016-09-01

    Mixing is an important method to improve the performance of surfactants due to their synergistic effect. The changes in bonding interaction and adsorption structure of IM and OP molecules before and after co-adsorbed on Fe(001) surface is calculated by DFTB+ method. It is found that mixture enable the inhibitor molecules with higher EHOMO donate more electrons while the inhibitor molecules with lower ELUMO accept more electrons, which strengthens the bonding interaction of both inhibitor agent and inhibitor additive with metal surface. Meanwhile, water molecules in the compact layer of double electric layer are repulsed and the charge transfer resistance during the corrosion process increases. Accordingly, the correlation between the frontier orbital (EHOMO and ELUMO of inhibitor molecules and the Fermi level of metal) and inhibition efficiency is determined. Finally, we propose a frontier orbital matching principle for the synergistic effect of inhibitors, which is verified by electrochemical experiments. This frontier orbital matching principle provides an effective quantum chemistry calculation method for the optimal selection of inhibitor mixture.

  1. Electronically Monitored Labial Dabbing and Stylet ‘Probing’ Behaviors of Brown Marmorated Stink Bug, Halyomorpha halys, in Simulated Environments

    PubMed Central

    Wiman, Nik G.; Walton, Vaughn M.; Shearer, Peter W.; Rondon, Silvia I.

    2014-01-01

    Brown marmorated stink bug, Halyomorpha halys (Stål), (Hemiptera: Pentatomidae) is an invasive polyphagous agricultural and urban nuisance pest of Asian origin that is becoming widespread in North America and Europe. Despite the economic importance of pentatomid pests worldwide, their feeding behavior is poorly understood. Electronically monitored insect feeding (EMIF) technology is a useful tool in studies of feeding behavior of Hemiptera. Here we examined H. halys feeding behavior using an EMIF system designed for high throughput studies in environmental chambers. Our objectives were to quantify feeding activity by monitoring proboscis contacts with green beans, including labial dabbing and stylet penetration of the beans, which we collectively define as ‘probes’. We examined frequency and duration of ‘probes’ in field-collected H. halys over 48 hours and we determined how environmental conditions could affect diel and seasonal periodicity of ‘probing’ activity. We found differences in ‘probing’ activity between months when the assays were conducted. These differences in activity may have reflected different environmental conditions, and they also coincide with what is known about the phenology of H. halys. While a substantial number of ‘probes’ occurred during scotophase, including some of the longest mean ‘probe’ durations, activity was either lower or similar to ‘probing’ activity levels during photophase on average. We found that temperature had a significant impact on H. halys ‘probing’ behavior and may influence periodicity of activity. Our data suggest that the minimal temperature at which ‘probing’ of H. halys occurs is between 3.5 and 6.1°C (95% CI), and that ‘probing’ does not occur at temperatures above 26.5 to 29.6°C (95% CI). We estimated that the optimal temperature for ‘probing’ is between 16 and 17°C. PMID:25474148

  2. Electronically monitored labial dabbing and stylet 'probing' behaviors of brown marmorated stink bug, Halyomorpha halys, in simulated environments.

    PubMed

    Wiman, Nik G; Walton, Vaughn M; Shearer, Peter W; Rondon, Silvia I

    2014-01-01

    Brown marmorated stink bug, Halyomorpha halys (Stål), (Hemiptera: Pentatomidae) is an invasive polyphagous agricultural and urban nuisance pest of Asian origin that is becoming widespread in North America and Europe. Despite the economic importance of pentatomid pests worldwide, their feeding behavior is poorly understood. Electronically monitored insect feeding (EMIF) technology is a useful tool in studies of feeding behavior of Hemiptera. Here we examined H. halys feeding behavior using an EMIF system designed for high throughput studies in environmental chambers. Our objectives were to quantify feeding activity by monitoring proboscis contacts with green beans, including labial dabbing and stylet penetration of the beans, which we collectively define as 'probes'. We examined frequency and duration of 'probes' in field-collected H. halys over 48 hours and we determined how environmental conditions could affect diel and seasonal periodicity of 'probing' activity. We found differences in 'probing' activity between months when the assays were conducted. These differences in activity may have reflected different environmental conditions, and they also coincide with what is known about the phenology of H. halys. While a substantial number of 'probes' occurred during scotophase, including some of the longest mean 'probe' durations, activity was either lower or similar to 'probing' activity levels during photophase on average. We found that temperature had a significant impact on H. halys 'probing' behavior and may influence periodicity of activity. Our data suggest that the minimal temperature at which 'probing' of H. halys occurs is between 3.5 and 6.1 °C (95% CI), and that 'probing' does not occur at temperatures above 26.5 to 29.6 °C (95% CI). We estimated that the optimal temperature for 'probing' is between 16 and 17 °C.

  3. Combination of the human anti-CD30 antibody 5F11 with cytostatic drugs enhances its antitumor activity against Hodgkin and anaplastic large cell lymphoma cell lines.

    PubMed

    Heuck, Friederike; Ellermann, Julia; Borchmann, Peter; Rothe, Achim; Hansen, Hinrich; Engert, Andreas; von Strandmann, Elke Pogge

    2004-01-01

    Due to its selective overexpression on the malignant cells of Hodgkin's lymphoma (HL) and large cell anaplastic lymphoma (ALCL), CD30 is an excellent target for immunotherapy of these diseases. The fully human monoclonal anti-CD30-antibody 5F11 has been shown to be effective against CD30-expressing cell lines both in vitro and in vivo. In addition, 5F11 shows promising antitumor activity in phase 1/2 clinical trials. To extend these promising results, the authors evaluated combinations of 5F11 with conventional cytostatic drugs against a variety of lymphoma cell lines in vitro. Most combinations tested showed at least additive cytotoxic effects on the HL-derived cell lines L428, L540, and L1236 and the ALCL-derived cell line Karpas 299 as measured by proliferation assays (XTT) and the induction of apoptosis (annexin-V FACS analysis). The most impressive results were detected with the combination of 5F11 and gemcitabine or etoposide. The data suggest that the combination of the human antibody 5F11 with conventional chemotherapy might be beneficial in the combined chemo-immunotherapy of CD30-positive lymphomas.

  4. Aloe-Emodin Protects RIN-5F (Pancreatic β-cell) Cell from Glucotoxicity via Regulation of Pro-Inflammatory Cytokine and Downregulation of Bax and Caspase 3.

    PubMed

    Alshatwi, Ali A; Subash-Babu, P

    2016-01-01

    To determine the protective effect of aloe-emodin (AE) from high glucose induced toxicity in RIN-5F (pancreatic β-cell) cell and restoration of its function was analyzed. RIN-5F cells have been cultured in high glucose (25 mM glucose) condition, with and without AE treatment. RIN-5F cells cultured in high glucose decreased cell viability and increased ROS levels after 48 hr compared with standard medium (5.5 mM glucose). Glucotoxicity was confirmed by significantly increased ROS production, increased pro-inflammatory (IFN-γ, IL-1β,) & decreased anti-inflammatory (IL-6&IL-10) cytokine levels, increased DNA fragmentation. In addition, we found increased Bax, caspase 3, Fadd, and Fas and significantly reduced Bcl-2 expression after 48 hr. RIN-5F treated with both high glucose and AE (20 μM) decreased ROS generation and prevent RIN-5F cell from glucotoxicity. In addition, AE treated cells cultured in high glucose were transferred to standard medium, normal responsiveness to glucose was restored within 8hr and normal basal insulin release within 24 hr was achieved when compared to high glucose.

  5. Aloe-Emodin Protects RIN-5F (Pancreatic β-cell) Cell from Glucotoxicity via Regulation of Pro-Inflammatory Cytokine and Downregulation of Bax and Caspase 3

    PubMed Central

    Alshatwi, Ali A; Subash-Babu, P.

    2016-01-01

    To determine the protective effect of aloe-emodin (AE) from high glucose induced toxicity in RIN-5F (pancreatic β-cell) cell and restoration of its function was analyzed. RIN-5F cells have been cultured in high glucose (25 mM glucose) condition, with and without AE treatment. RIN-5F cells cultured in high glucose decreased cell viability and increased ROS levels after 48 hr compared with standard medium (5.5 mM glucose). Glucotoxicity was confirmed by significantly increased ROS production, increased pro-inflammatory (IFN-γ, IL-1β,) & decreased anti-inflammatory (IL-6&IL-10) cytokine levels, increased DNA fragmentation. In addition, we found increased Bax, caspase 3, Fadd, and Fas and significantly reduced Bcl-2 expression after 48 hr. RIN-5F treated with both high glucose and AE (20 μM) decreased ROS generation and prevent RIN-5F cell from glucotoxicity. In addition, AE treated cells cultured in high glucose were transferred to standard medium, normal responsiveness to glucose was restored within 8hr and normal basal insulin release within 24 hr was achieved when compared to high glucose. PMID:26759701

  6. Fabrication and high temperature electronic behaviors of n-WO3 nanorods/p-diamond heterojunction

    NASA Astrophysics Data System (ADS)

    Wang, Liying; Cheng, Shaoheng; Wu, Chengze; Pei, Kai; Song, Yanpeng; Li, Hongdong; Wang, Qinglin; Sang, Dandan

    2017-01-01

    This work explores the temperature-dependent characteristic and carrier transport behavior of a heterojunction of n-WO3 nanorods (NRs)/p-diamond. The n-type WO3 NRs grown by the hydrothermal method were deposited on a p-type boron-doped diamond film. The p-n heterojunction devices showed good thermal stability and have rectification characteristic from room temperature up to 290 °C. With increasing temperature, the turn-on voltages were decreased, and the rectification ratios were relatively high. The calculated ideality factor of the device decreased monotonously with increased temperature. The carrier transport mechanisms at different applied bias voltages following Ohmic laws, recombination-tunneling, and space-charge-limited current conduction of the heterojunction are discussed depending on temperature.

  7. Solvatochromic behavior of the electronic absorption spectra of gallic acid and some of its azo derivatives

    NASA Astrophysics Data System (ADS)

    Masoud, Mamdouh S.; Hagagg, Sawsan S.; Ali, Alaa E.; Nasr, Nessma M.

    The electronic absorption spectra of gallic acid and its azo derivatives have been studied in various solvents of different polarities. Multiple regression techniques were applied to calculate the regression and correlation coefficients based on an equation that relates the wavenumbers of the absorption band maxima (υmax-) to the solvent parameters; refractive index (n), dielectric constant (D), empirical Kamlet-Taft solvent parameters, π*(dipolarity/polarizability), α (solvent hydrogen-bond donor acidity) and β (solvent hydrogen-bond acceptor basicity). The fitting coefficient obtained from this analysis allows estimating the contribution of each type of interactions relative to total spectral shifts in solution. The dependence of υmax- on the solvent parameters indicates that the obtained bands are affected by specific and non-specific solute-solvent interactions.

  8. ESR (electron spin resonance)-determined osmotic behavior of bull spermatozoa

    SciTech Connect

    Du, J.; Kleinhans, F.W.; Spitzer, V.J.; Critser, J.K. . Dept. of Medical Research); Horstman, L. . School of Veterinary Medicine); Mazur, P. )

    1990-01-01

    Our laboratories are pursuing a fundamental approach to the problems of semen cryopreservation. For many cell types (human red cells, yeast, HeLa) it has been demonstrated that there is an optimum cooling rate for cryopreservation. Faster rates allow insufficient time for cell dehydration and result in intracellular ice formation and cell death. It is possible to predict this optimal rate provided that the cell acts as an ideal osmometer and several other cell parameters are known such as the membrane hydraulic conductivity. It is the purpose of this work to examine the osmotic response of bull sperm to sucrose and NaCl utilizing electron spin resonance (ESR) to measure cell volume. For calibration purposes we also measured the ESR response of human red cells (RBC), the osmotic response of which is well documented with other methods. 15 refs., 1 fig.

  9. Tunable electronic and optical behaviors of two-dimensional germanium carbide

    NASA Astrophysics Data System (ADS)

    Xu, Zhuo; Li, Yangping; Li, Chenxi; Liu, Zhengtang

    2016-03-01

    The electronic and optical properties of two-dimensional graphene-like germanium carbide (2D-GeC) are calculated using first-principle calculation based on density functional theory. Monolayer GeC has a direct band gap of 2.19 eV. The imaginary part of the dielectric function shows a wide energy range of absorption spectrum for monolayer GeC. Tunable band structures are found for monolayer GeC through in-plane strain. In addition, the band structures and optical properties of bilayer GeC under strain along the c axis are analyzed. Multilayer GeC exhibits a direct band gap like monolayer GeC, and new options of interband transitions are found between layers. The results suggest that 2D-GeC could be a good candidate for optoelectronic such as light-emitting diodes, photodiodes, and solar cells.

  10. Density Functional Study of Stacking Structures and Electronic Behaviors of AnE-PV Copolymer.

    PubMed

    Dong, Chuan-Ding; Beenken, Wichard J D

    2016-10-10

    In this work, we report an in-depth investigation on the π-stacking and interdigitating structures of poly(p-anthracene-ethynylene)-alt-poly(p-phenylene-vinylene) copolymer with octyl and ethyl-hexyl side chains and the resulting electronic band structures using density functional theory calculations. We found that in the π-stacking direction, the preferred stacking structure, determined by the steric effect of the branched ethyl-hexyl side chains, is featured by the anthracene-ethynylene units stacking on the phenylene-vinylene units of the neighboring chains and vice versa. This stacking structure, combined with the interdigitating structure where the branched side chains of the laterally neighboring chains are isolated, defines the energetically favorable structure of the ordered copolymer phase, which provides a good compromise between light absorption and charge-carrier transport.

  11. Wireless powering electronics and spiral coils for implant microsystem toward nanomedicine diagnosis and therapy in free-behavior animal

    NASA Astrophysics Data System (ADS)

    Chang, Chih-Wei; Hou, Kuan-Chou; Shieh, Li-Jung; Hung, Sheng-Hsin; Chiou, Jin-Chern

    2012-11-01

    In this paper, we present a wireless RF-powering electronics system approach for batteryless implantable biomedical microsystem with versatile sensors/actuators on laboratory animals toward diagnosis and therapy applications. Miniaturized spiral coils as a wireless power module with low-dropout (LDO) linear regulator circuit convert RF signal into DC voltage, provide a batteryless implantation for truly free-behavior monitoring without wire dragging. Presented design achieves low quiescent-current and Line/Load Regulation, high antenna/current efficiency with safety considerations including temperature and electromagnetic absorption issues to avoid damage to the implanted target volume of tissue. Related system performance measurements have been successfully completed to demonstrate the wireless powering capabilities in desired implantable microsystems.

  12. Hyperglycemia promotes p53-Mdm2 interaction but reduces p53 ubiquitination in RINm5F cells.

    PubMed

    Barzalobre-Gerónimo, R; Raúl, Barzalobre-Gerónimo; Flores-López, L A; Antonio, Flores-López Luis; Baiza-Gutman, L A; Arturo, Baiza-Gutman Luis; Cruz, M; Miguel, Cruz; García-Macedo, R; Rebeca, García-Macedo; Ávalos-Rodríguez, A; Alejandro, Ávalos-Rodríguez; Contreras-Ramos, A; Alejandra, Contreras-Ramos; Díaz-Flores, A; Margarita, Díaz-Flores; Ortega-Camarillo, C; Clara, Ortega-Camarillo

    2015-07-01

    The apoptosis of β cells induced by hyperglycemia has been associated with p53 mobilization to mitochondria and p53 phosphorylation. Murine double minute 2 (Mdm2) induces the degradation of p53 and thereby protects cells from apoptosis. We studied the effect of glucose at high concentration on the ability of Mdm2 to ubiquitinate p53 and promote its degradation. RINm5F cells were grown in RPMI-1640 medium with 5 or 30 mM glucose for varying periods of time. After this treatment, the expression of Mdm2 was measured using real-time PCR. The phosphorylation of Mdm2 at Ser166, p53 at Ser15, and the kinases Akt and ATM were measured by Western blotting. The formation of the p53-Mdm2 complex and p53 ubiquitination was assessed by p53 immunoprecipitation and immunofluorescence. Our results showed that high glucose reduced Mdm2 mRNA expression and protein concentration and increased Mdm2 and Akt phosphorylation, albeit with slower kinetics for Akt. It also promoted p53-Mdm2 complex formation, whereas p53 ubiquitination was suppressed. Furthermore, phosphorylation of both p53 Ser15 and ATM was increased in the presence of 30 mM glucose. These data indicate that high concentration glucose decrease the mRNA expression and cytosolic concentration of Mdm2. However, although the increase in glucose promoted the phosphorylation of Mdm2, it also decreased p53 ubiquitination, thus avoiding p53 degradation. In hyperglycemic conditions, such as diabetes mellitus, the reduction of pancreatic β cells mass is favored by stabilization of p53 in association with low p53 ubiquitination and reduced expression of Mdm2.

  13. All-electron density functional theory calculations of the zero-pressure properties of plutonium dioxide

    NASA Astrophysics Data System (ADS)

    Boettger, Jonathan C.; Ray, Asok K.

    2000-07-01

    The fluorite structure light-actinide dioxides, uranium dioxide and plutonium dioxide, are both known to be prototypical Mott-Hubbard insulators, with band gaps produced by strong Coulomb correlation effects that are not adequately accounted for in traditional density functional theory (DFT) calculations. Indeed, DFT electronic structure calculations for these two actinide dioxides have been shown to incorrectly predict metallic behavior. The highly-correlated electron effects exhibited by the actinide dioxides, combined with the large relativistic effects (including spin-orbit coupling) expected for any actinide compound, provide an extreme challenge for electronic structure theorists. For this reason, few fully-self-consistent DFT calculations have been carried out for the actinide dioxides, in general, and only one for plutonium dioxide. In that calculation, the troublesome 5f electrons were treated as core electrons, and spin-orbit coupling was ignored.

  14. Modeling the post-yield flow behavior after neutron and electron irradiation of steels and iron-base alloys.

    SciTech Connect

    Dimelfi, R. J.

    1999-01-13

    Irradiation hardening is an issue of practical importance as it relates to the remanent life and the nature of failure of reactor components exposed to displacement-producing radiation. For example, irradiation-induced yield strength increases in pressure vessel steels are directly related to increases in the ductile-to-brittle-transition-temperature of these materials. Other issues associated with hardening, such as reductions in ductility, toughness and fatigue life of structural steels are also of concern. Understanding these phenomena requires studies of fundamental microstructural mechanisms of hardening. Because of the limited supply of neutron-irradiated surveillance material, difficulties posed by the radioactivity of neutron-exposed samples and the uncertainty of irradiation conditions in this case, fundamental studies are often conducted using well-controlled experiments involving irradiation by electrons instead of neutrons. Also, in such studies, simple model alloys are used in place of steels to focus on the influence of specific alloy constituents. It is, therefore, important to understand the relationship between the results of this kind of experiment and the effects of in-reactor neutron exposure in order to use them to make predictions of significance to reactor component life. In this paper, we analyze the tensile behavior of pressure vessel steels (A212B and A350) irradiated by neutrons and electrons. The results show that the post-yield true stress/true strain behavior can provide fingerprints of the different hardening effects that result from irradiation by the two particles, which also reflect the influence of alloy content. Microstructurally-based models for irradiation-induced yield strength increases, combined with a model for strain hardening, are used to make predictions of the different effects of irradiation by the two particles on the entire flow curve that agree well with data.

  15. Superconductivity phase diagram of Se-substituted CeO0.5F0.5Bi(S1-xSex)2

    NASA Astrophysics Data System (ADS)

    Mizuguchi, Yoshikazu; Hiroi, Takafumi; Miura, Osuke

    2016-02-01

    We investigated the effects of Se substitution on the lattice constants and superconducting properties of CeO0.5F0.5Bi(S1-xSex)2. With increasing Se concentration, the a lattice constant increased, while the c lattice constant did not show any significant increase between x = 0.1 and x = 0.5. Bulk superconductivity was observed in samples with x = 0.2-0.4, and the superconducting transition temperature was the highest at x = 0.3. The obtained superconductivity phase diagram was compared to those of LaO0.5F0.5Bi(S1-xSex)2 and NdO0.5F0.5Bi(S1-xSex)2.

  16. Characterization of dielectric breakdown behavior by in situ transmission electron microscopy

    NASA Astrophysics Data System (ADS)

    Bonifacio, Cecile Semana

    Dielectric breakdown (BD) is the loss of capacitance upheld by an insulating material through defect formation and charge trapping. Dielectric BD is well-studied in the framework of reliability physics for semiconductor applications, and presents itself as a viable mechanism during materials processing by electric field assisted sintering (EFAS). So far a mechanistic understanding of dielectric BD is incomplete due to the limitations in nanoscale defect characterization techniques. The recent development of novel in situ transmission electron microscopy (TEM) capabilities enables the atomic-scale characterization of dielectric BD mechanisms, which was the subject of this dissertation. As the technology of semiconductor devices moves toward the sub-25 nm technology the electronic properties of gate oxide layers are affected eventually leading to device failure by dielectric BD. This study aimed to provide a systematic approach of simultaneous imaging and local application of electrical stress using in situ TEM by contacting an electrically biased Scanning Tunnelling Microscopy (STM) probe directly to the TEM sample. This experimental setup therefore allows a correlation of electrical signatures with defect structure evolution. In situ TEM experiments carried out with a single SiO2-based field effect transistor resulted to catastrophic failure of the dielectric layer consistent with descriptions of soft dielectric breakdown (SBD) and hard dielectric breakdown (HBD). A variety of in situ TEM techniques was further utilized to investigate whether electric field induced dielectric breakdown may contribute to densification of metallic powder particles during EFAS. In situ heating and STM-TEM experiments were systematically applied to separately study thermal and athermal effects during densification, respectively. Nanometric metal powders used for sintering typically possess surface oxides that affect the thermodynamics and kinetics of neck formation during the initial

  17. Superconductivity in La1-x Sm x O0.5F0.5BiS2 (x  =  0.2, 0.8) under hydrostatic pressure

    NASA Astrophysics Data System (ADS)

    Kalai Selvan, G.; Thakur, Gohil S.; Manikandan, K.; Banerjee, A.; Haque, Zeba; Gupta, L. C.; Ganguli, Ashok K.; Arumugam, S.

    2016-07-01

    We have investigated the pressure effect on the newly discovered samarium-doped La1-x Sm x O0.5F0.5BiS2 superconductors. More than a threefold increase in T c (10.3 K) is observed with external pressure (at ~1.74 GPa at a rate of 4.08 K GPa-1) for x  =  0.2 composition. There is a concomitant large improvement in the quality of the superconducting transition. Beyond this pressure T c decreases monotonously at the rate of  -2.09 K GPa-1. In the x  =  0.8 sample, we do not observe any enhancement in T c with the application of pressure (up to 1.76 GPa). The semiconducting behavior observed in the normal-state resistivity of both samples is significantly subdued with the application of pressure which, if interpreted by invoking the thermal activation process, implies that the activation energy gap of the carriers is significantly reduced with pressure. We believe these observations should generate further interest in La1-x Sm x O0.5F0.5BiS2 superconductors.

  18. Modulating the magnetic behavior of Fe(II)-MOF-74 by the high electron affinity of the guest molecule.

    PubMed

    Han, Sungmin; Kim, Heejin; Kim, Jaehoon; Jung, Yousung

    2015-07-14

    As a new class of magnetic materials, metal-organic framework (MOF) has received a significant attention due to their functionality and porosity that can provide diverse magnetic phenomena by utilizing host-guest chemistry. For Fe-MOF-74, we here find using density functional calculations that the O2 and C2H4 adsorptions result in the ferromagnetic (FM) and antiferromagnetic (AFM) orderings along the 1D chain of an hexagonal MOF framework, respectively, while their adsorption energies, pi-complexation, and geometrical changes are all similar upon binding. We reveal that this different magnetism behavior is attributed to the different electronic effects, where the adsorbed O2 greatly withdraws a minor spin electron from the Fe centers. The latter significant back donation opens a new channel for superexchange interactions that can enhance the FM coupling between Fe centers, where the strength of calculated intrachain FM coupling constrant (Jin) in O2 adsorbed Fe-MOF-74 is more than 10 times enhanced compared to bare Fe-MOF-74. This prediction suggests a possibility for the conceptual usage of Fe-MOF-74 as a gas sensor based on its magnetic changes caused by the adsorbed gases. Furthermore, the suggested mechanism might be used to control the magnetic properties of MOFs using the guest molecules, although concrete strategies to enhance such magnetic interactions to be used in practical applications would require further significant investigation.

  19. Radiation degradation behavior of chlorine-containing vinyl copolymers. Search for improved electron-beam resists

    SciTech Connect

    Helbert, J.N.; Poindexter, E.H.; Pittman, C.U. Jr.; Chen, C.Y.

    1980-06-01

    Vinyl copolymers with high radiation degradation sensitivity have been synthesized by copolymerizing vinylidene chloride (VDC), CH/sub 2/ = CCl/sub 2/, with methyl methacrylate (MMA), methacrylonitrile, methyl ..cap alpha..-chloroacrylate, and dimethyl itaconate using emulsion techniques. In addition, copolymers of methyl ..cap alpha..-chloroacrylate with methyl methacrylate and poly(..cap alpha..-chloroacrylonitrile) were studied. Introduction of vinylidene chloride into methyl methacrylate polymers caused a sharp increase in G/sub s/ even at relatively low VDC incorporation. Upon 29% VDC incorporation, the G/sub s/ value increased from 1.3 (homopolymer of MMA) to 3.4. G/sub s/ was found to be a linear function of copolymer content for several systems, but G/sub x/ was not. At higher VDC levels, the increase in G/sub s/ was countered by increases in G/sub x/. At lower VDC levels, G/sub x/ was suppressed below the values predicted by a linear G/sub x/ dependence on composition for such systems as VDC/MMA, MCA/MMA, and ..cap alpha..-chloroacrylonitrile/MMA. The VDC/MMA copolymer (29% VDC) gave a sensitivity of 4.0 x 10/sup -5/ C/cm/sup 2/ to electron beam exposure using the 0% unexposed resist thickness loss criterion and is 2 to 3 times more sensitive than PMMA. Poly(..cap alpha..-chloroacrylonitrile) is a negative resist with a sensitivity of 5 x 10/sup -5/ C/cm/sup 2/ using one-micron line images for testing.

  20. Materials Data on Pr4Se3(O5F3)2 (SG:15) by Materials Project

    SciTech Connect

    Kristin Persson

    2016-05-18

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  1. Materials Data on ReH12C4O5F (SG:2) by Materials Project

    SciTech Connect

    Kristin Persson

    2016-02-11

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  2. Materials Data on Na15S5Cl(O5F)4 (SG:157) by Materials Project

    SciTech Connect

    Kristin Persson

    2014-07-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  3. sall1 and sall4 repress pou5f3 family expression to allow neural patterning, differentiation, and morphogenesis in Xenopus laevis.

    PubMed

    Exner, Cameron R T; Kim, Albert Y; Mardjuki, Sarah M; Harland, Richard M

    2017-03-18

    The embryonic precursor of the vertebrate central nervous system, the neural plate, is patterned along the anterior-posterior axis and shaped by morphogenetic movements early in development. We previously identified the genes sall1 and sall4, known regulators of pluripotency in other contexts, as transcriptional targets of developmental signaling pathways that regulate neural development. Here, we demonstrate that these two genes are required for induction of posterior neural fates, the cell shape changes that contribute to neural tube closure, and later neurogenesis. Upon sall1 or sall4 knockdown, defects are associated with the failure of the neural plate to differentiate. Consistent with this, sall-deficient neural tissue exhibits an aberrant upregulation of pou5f3 family genes, the Xenopus homologs of the mammalian stem cell maintenance factor Pou5f1 (Oct4). Furthermore, overexpression of pou5f3 genes in Xenopus causes defects in neural patterning, morphogenesis, and differentiation that phenocopy those observed in sall1 and sall4 morphants. In all, this work shows that both sall1 and sall4 act to repress pou5f3 family gene expression in the neural plate, thereby allowing vertebrate neural development to proceed.

  4. Experimental Bench-marking of Pu Electronic Structure

    SciTech Connect

    Lawrence Livermore National Laboratory

    2007-07-31

    Our plan is to do Ce (as a Pu surrogate) this year and be ready to do Pu next year. The Fano (Spin-resolved Photoelectron Spectroscopy) measurements are essential to testing electron correlation in the occupied 5f states. BIS (Bremstrahlung Isochromat Spectroscopy or high energy Inverse Photoelectron Spectroscopy) experiments are crucial to a quantitative determination of the 5f unoccupied density of states (5f-UDOS). The 5f UDOS is the key to differentiation between a myriad of models of 5f electronic structure. During this time, we will work to converge to a solution for the Pu safety issues, with the plan to implement these in the next FY. Acceleration of this schedule and implementation of the safety plan in this FY will require a very significant increase in funding. Ultimately, results from the Pu experiments will be fed into calculations performed by P. Soderlind, A. Landa, and others.

  5. Use of 2,3,5-F3Y-β2 and 3-NH2Y-α2 to study PCET in E. coli Ribonucleotide Reductase

    PubMed Central

    Seyedsayamdost, Mohammad R.; Yee, Cyril S.; Stubbe, JoAnne

    2011-01-01

    E. coli ribonucleotide reductase is an α2β2 complex that catalyzes the conversion of nucleoside 5′-diphosphates (NDPs) to deoxynucleotides (dNDPs). The active site for NDP reduction resides in α2, and the essential diferric-tyrosyl radical (Y122•) cofactor that initiates radical transfer to the active site cysteine in α2 (C439), 35 Å removed, is in β2. The oxidation is proposed to involve a hopping mechanism through aromatic amino acids (Y122→W48→Y356 in β2 to Y731→Y730→C439 in α2) and reversible proton coupled electron transfer (PCET). Recently 2,3,5-F3Y (F3Y) was site-specifically incorporated in place of Y356 in β2, and 3-NH2Y (NH2Y) in place of Y731 and Y730 in α2. A pH rate profile with F3Y356-β2 suggested that as the pH is elevated, the rate-determining step of RNR can be altered from a conformational change to PCET and that the altered driving force for F3Y oxidation, by residues adjacent to it in the pathway, is responsible for this change. Studies with NH2Y731(730)-α2/β2/CDP/ATP resulted in detection of NH2Y radical (NH2Y•) intermediates capable of dNDP formation. In this study, the reaction of F3Y356-β2/α2/CDP/ATP has been examined by stopped flow (SF) absorption and rapid freeze quench EPR spectroscopy and has failed to reveal any radical intermediates. F3Y356-β2/CDP/ATP has also been examined with NH2Y731-α2 (or NH2Y730-α2) by stopped-flow kinetics from pH 6.5–9.2 and revealed rate constants for NH2Y• formation that support a change in rate limiting step at elevated pH. The results together with kinetic simulations provide a guide for future studies to detect radical intermediates in the pathway. PMID:21182280

  6. Health behaviors and quality of life predictors for risk of hospitalization in an electronic health record-linked biobank

    PubMed Central

    Takahashi, Paul Y; Ryu, Euijung; Olson, Janet E; Winkler, Erin M; Hathcock, Matthew A; Gupta, Ruchi; Sloan, Jeff A; Pathak, Jyotishman; Bielinski, Suzette J; Cerhan, James R

    2015-01-01

    Background Hospital risk stratification models using electronic health records (EHRs) often use age and comorbid health burden. Our primary aim was to determine if quality of life or health behaviors captured in an EHR-linked biobank can predict future risk of hospitalization. Methods Participants in the Mayo Clinic Biobank completed self-administered questionnaires at enrollment that included quality of life and health behaviors. Participants enrolled as of December 31, 2010 were followed for one year to ascertain hospitalization. Data on comorbidities and hospitalization were derived from the Mayo Clinic EHR. Hazard ratios (HR) and 95% confidence interval (CI) were used, adjusted for age and sex. We used gradient boosting machines models to integrate multiple factors. Different models were compared using C-statistic. Results Of the 8,927 eligible Mayo Clinic Biobank participants, 834 (9.3%) were hospitalized. Self-perceived health status and alcohol use had the strongest associations with risk of hospitalization. Compared to participants with excellent self-perceived health, those reporting poor/fair health had higher risk of hospitalization (HR =3.66, 95% CI 2.74–4.88). Alcohol use was inversely associated with hospitalization (HR =0.57 95% CI 0.45–0.72). The gradient boosting machines model estimated self-perceived health as the most influential factor (relative influence =16%). The predictive ability of the model based on comorbidities was slightly higher than the one based on the self-perceived health (C-statistic =0.67 vs 0.65). Conclusion This study demonstrates that self-perceived health may be an important piece of information to add to the EHR. It may be another method to determine hospitalization risk. PMID:26316799

  7. Electron Microscopy Structural Insights into CPAP Oligomeric Behavior: A Plausible Assembly Process of a Supramolecular Scaffold of the Centrosome

    PubMed Central

    Alvarez-Cabrera, Ana L.; Delgado, Sandra; Gil-Carton, David; Mortuza, Gulnahar B.; Montoya, Guillermo; Sorzano, Carlos O. S.; Tang, Tang K.; Carazo, Jose M.

    2017-01-01

    Centrosomal P4.1-associated protein (CPAP) is a cell cycle regulated protein fundamental for centrosome assembly and centriole elongation. In humans, the region between residues 897–1338 of CPAP mediates interactions with other proteins and includes a homodimerization domain. CPAP mutations cause primary autosomal recessive microcephaly and Seckel syndrome. Despite of the biological/clinical relevance of CPAP, its mechanistic behavior remains unclear and its C-terminus (the G-box/TCP domain) is the only part whose structure has been solved. This situation is perhaps due in part to the challenges that represent obtaining the protein in a soluble, homogeneous state for structural studies. Our work constitutes a systematic structural analysis on multiple oligomers of HsCPAP897−1338, using single-particle electron microscopy (EM) of negatively stained (NS) samples. Based on image classification into clearly different regular 3D maps (putatively corresponding to dimers and tetramers) and direct observation of individual images representing other complexes of HsCPAP897−1338 (i.e., putative flexible monomers and higher-order multimers), we report a dynamic oligomeric behavior of this protein, where different homo-oligomers coexist in variable proportions. We propose that dimerization of the putative homodimer forms a putative tetramer which could be the structural unit for the scaffold that either tethers the pericentriolar material to centrioles or promotes procentriole elongation. A coarse fitting of atomic models into the NS 3D maps at resolutions around 20 Å is performed only to complement our experimental data, allowing us to hypothesize on the oligomeric composition of the different complexes. In this way, the current EM work represents an initial step toward the structural characterization of different oligomers of CPAP, suggesting further insights to understand how this protein works, contributing to the elucidation of control mechanisms for centriole

  8. Structure and conformational behavior of N-phenylpiperidine studied by gas-phase electron diffraction and quantum chemical calculations

    NASA Astrophysics Data System (ADS)

    Shlykov, Sergey A.; Phien, Tran D.; Gao, Yan; Weber, Peter M.

    2017-03-01

    Molecular structure and conformational behavior of N-phenylpiperidine (NPhP) were investigated by synchronous gas-phase electron diffraction/mass spectrometry (GED/MS) and quantum chemistry. Due to influence of steric repulsion and hyperconjugation, NPhP may exist in two conformers, equatorial and axial chair forms. Both experiment and theoretical calculations suggest a C1 symmetry of the conformers, with the plane perpendicular to the phenyl group turned by ca. 30-40° (equatorial) and 0-20° (axial) about the plane perpendicular to the piperidine ring symmetry plane. According to the QC calculations, NPhP may exist as two conformers, equatorial and axial, with a ratio of Eq:Ax = 92:8 (B3LYP), 87:13 (B3LYP-GD3), 84:16 (M06-2X), 83:17 (MP2/6-311G**) and 76:24% (MP2/cc-pVTZ). Except for the latter, these values are in good agreement with the experimental GED data of 90(10):10(10)%. A comparative analysis of similar compounds, phenylcyclohexane and 1-phenylheterocyclohexanes, was performed. Conformational properties depend on the CPhsbnd X bond distance and hyperconjugation between the phenyl ring and the lone pair on the heteroatom. The contribution of the axial form of 1-phenylcyclohexane derivatives increases in the series of the heteroatom X in the cyclohexane ring: C → N → Si → P.

  9. Impact properties and hardening behavior of laser and electron-beam welds of V-4Cr-4Ti

    SciTech Connect

    Chung, H.M.; Strain, R.V.; Tsai, H.C.; Park, J.H.; Smith, D.L.

    1996-10-01

    The authors are conducting a program to develop an optimal laser welding procedure that can be applied to large-scale fusion-reactor structural components to be fabricated from vanadium-base alloys. Results of initial investigation of mechanical properties and hardening behavior of laser and electron-beam (EB) welds of the production-scale heat of V-4Cr-4Ti (500-kg Heat 832665) in as-welded and postwelding heat-treated (PWHT) conditions are presented in this paper. The laser weld was produced in air using a 6-kW continuous CO{sub 2} laser at a welding speed of {approx}45 mm/s. Microhardness of the laser welds was somewhat higher than that of the base metal, which was annealed at a nominal temperature of {approx}1050{degrees}C for 2 h in the factory. In spite of the moderate hardening, ductile-brittle transition temperatures (DBTTs) of the initial laser ({approx}80{degrees}C) and EB ({approx}30{degrees}C) welds were significantly higher than that of the base metal ({approx}{minus}170{degrees}C). However, excellent impact properties, with DBTT < {minus}80{degrees}C and similar to those of the base metal, could be restored in both the laser and EB welds by postwelding annealing at 1000{degrees}C for 1 h in vacuum.

  10. Characterization of phase equilibria and oxidation behavior of aluminum-lithium alloys by electron, ion, and neutron beams

    SciTech Connect

    Soni, K.K.

    1991-01-01

    Secondary ion mass spectrometry (SIMS) and neutron-depth profiling (NDP) were used, in a complementary way, for the characterization of the Li distribution in Al-Li alloys in order to study their phase equilibria and oxidation behavior. SIMS compositional imaging of alloys containing T{sub 1} (Al{sub 2}LiCu), T{sub 2} (Al{sub 6}Li{sub 3}Cu), and T{sub B} (Al{sub 7.5}Cu{sub 4}Li) showed a lack of equilibrium between these phases and a non-uniform Cu distribution. Observation regarding some trace-element distributions were also made. The second-phase particles were identified by electron diffraction and x-ray microanalysis as Al{sub 3}Fe and these particles contained no Li. Oxidation of binary Al-Li alloys at high temperature produced a characteristic nodular oxide morphology. Examination of the oxide/alloy interface indicated preferential nucleation of the oxide at the grain boundaries followed by initial lateral growth. The oxide layer also exhibited surface facets due to surface reconstruction during the reaction. Oxidation of Al-Li-Mg alloys led to depletion of both Li and Mg to nearly equal extent. From these depletion profiles, the interdiffusion coefficients for the Al-Li-Mg-(Cu) alloys were calculated.

  11. A tensometer to study strain deformation and failure behavior of hydrated systems via in situ environmental scanning electron microscopy

    NASA Astrophysics Data System (ADS)

    Rizzieri, R.; Baker, F. S.; Donald, A. M.

    2003-10-01

    Large strain deformation and failure behavior of the mixed biopolymer gels have been investigated via in situ Environmental scanning electron microscopy (ESEM). ESEM has been employed to explore the changes in the structure of the material, while allowing the sample to stay hydrated as it was subjected to tensile strain. The "dog-bone" shaped samples were placed in a specially designed tensometer that fitted inside the ESEM specimen chamber. It was possible, therefore, to measure for the first time not only the mechanical properties of the hydrated material, but also to observe any morphological changes occurring as it was being stretched. By using a tensometer capable of keeping a sample moist over large strains, it was possible to observe hitherto unreported structural changes in gelatin-based systems subjected to uniaxial stretching. It was shown that bands were formed in the direction of the applied strain and that particles of maltodextrin included in the gelatin underwent deformation and fracture. Such observations have led to the conclusion that previous models were sometime inadequate due to the lack of in situ observation and novel approaches are required to describe these phenomena.

  12. Nano-focused Bremstrahlung Isochromat Spectroscopy (nBIS) Determination of the Unoccupied Electronic Structure of Pu

    SciTech Connect

    Tobin, J G; Butterfield, M; Teslich, N; Bliss, A; Chung, B; Gross, J; McMahan, A; Schwartz, A

    2006-12-20

    While chemically toxic and highly radioactive, Pu may be the most scientifically interesting element in the periodic table. It's properties include the following: six different phases, close to each other in energy and sensitive to variations of temperature, pressure and chemistry; the face-centered-cubic phase (delta) is the least dense; Pu expands when it solidifies from the melt; and it is clearly the nexus of the actinide binary phase diagrams of the actinides. In a sense, it is the boundary between the light (ostensibly delocalized 5f electrons) and heavy (ostensibly localized or correlated 5f electrons) actinide elements, but this is an over-simplification. The localized atomic 5f states are naturally correlated, but important regimes of correlated electron states are conceivable as extended states on the delocalized side of the possible Mott transition between conductive and insulating behavior. The proximity to this crossover may be the driving force behind all these exotic properties. Pu remains of immense scientific and technological importance and the advancement to a firm, scientific understanding of the electronic structure of Pu and its compounds, mixtures, alloys and solutions is a crucial issue. Moreover, while there are a number of ongoing experimental efforts directed at determining the occupied (valence band, below the Fermi Energy) electronic structure of Pu, there is essential no experimental data on the unoccupied (conduction band, above the Fermi Energy) electronic structure of Pu. Our objective is to determine the conduction band (unoccupied) electronic structure of Pu and other actinides (and possibly rare earths as well), in a phase specific fashion and emphasizing bulk contributions. This is world-class science directed at issue that is central to LLNL and DOE: Pu structure property relationships.

  13. Engineering of a parainfluenza virus type 5 fusion protein (PIV-5 F): development of an autonomous and hyperfusogenic protein by a combinational mutagenesis approach.

    PubMed

    Terrier, O; Durupt, F; Cartet, G; Thomas, L; Lina, B; Rosa-Calatrava, M

    2009-12-01

    The entry of enveloped viruses into host cells is accomplished by fusion of the viral envelope with the target cell membrane. For the paramyxovirus parainfluenza virus type 5 (PIV-5), this fusion involves an attachment protein (HN) and a class I viral fusion protein (F). We investigated the effect of 20 different combinations of 12 amino-acid substitutions within functional domains of the PIV-5 F glycoprotein, by performing cell surface expression measurements, quantitative fusion and syncytia assays. We found that combinations of mutations conferring an autonomous phenotype with mutations leading to an increased fusion activity were compatible and generated functional PIV-5 F proteins. The addition of mutations in the heptad-repeat domains led to both autonomous and hyperfusogenic phenotypes, despite the low cell surface expression of the corresponding mutants. Such engineering approach may prove useful not only for deciphering the fundamental mechanism behind viral-mediated membrane fusion but also in the development of potential therapeutic applications.

  14. Delocalization and occupancy effects of 5f orbitals in plutonium intermetallics using L3-edge resonant X-ray emission spectroscopy

    SciTech Connect

    Booth, C. H.; Medling, S. A.; Jiang, Yu; Bauer, E. D.; Tobash, P. H.; Mitchell, J. N.; Veirs, D. K.; Wall, M. A.; Allen, P. G.; Kas, J. J.; Sokaras, D.; Nordlund, D.; Weng, T. -C.

    2014-06-24

    Although actinide (An) L3 -edge X-ray absorption near-edge structure (XANES) spectroscopy has been very effective in determining An oxidation states in insulating, ionically bonded materials, such as in certain coordination compounds and mineral systems, the technique fails in systems featuring more delocalized 5f orbitals, especially in metals. Recently, actinide L3-edge resonant X-ray emission spec- troscopy (RXES) has been shown to be an effective alternative. This technique is further demonstrated here using a parameterized partial unoccupied density of states method to quantify both occupancy and delocalization of the 5f orbital in ?-Pu, ?-Pu, PuCoGa5 , PuCoIn5 , and PuSb2. These new results, supported by FEFF calculations, highlight the effects of strong correlations on RXES spectra and the technique?s ability to differentiate between f-orbital occupation and delocalization.

  15. Global emission estimates and radiative impact of C4F10, C5F12, C6F14, C7F16 and C8F18

    NASA Astrophysics Data System (ADS)

    Ivy, D. J.; Rigby, M.; Baasandorj, M.; Burkholder, J. B.; Prinn, R. G.

    2012-08-01

    Global emission estimates based on new atmospheric observations are presented for the acylic high molecular weight perfluorocarbons (PFCs): decafluorobutane (C4F10), dodecafluoropentane (C5F12), tetradecafluorohexane (C6F14), hexadecafluoroheptane (C7F16) and octadecafluorooctane (C8F18). Emissions are estimated using a 3-dimensional chemical transport model and an inverse method that includes a growth constraint on emissions. The observations used in the inversion are based on newly measured archived air samples that cover a 39-yr period, from 1973 to 2011, and include 36 Northern Hemispheric and 46 Southern Hemispheric samples. The derived emission estimates show that global emission rates were largest in the 1980s and 1990s for C4F10 and C5F12, and in the 1990s for C6F14, C7F16 and C8F18. After a subsequent decline, emissions have remained relatively stable, within 20%, for the last 5 yr. Bottom-up emission estimates are available from the Emission Database for Global Atmospheric Research version 4.2 (EDGARv4.2) for C4F10, C5F12, C6F14 and C7F16, and inventories of C4F10, C5F12 and C6F14 are reported to the United Nations' Framework Convention on Climate Change (UNFCCC) by Annex 1 countries that have ratified the Kyoto Protocol. The atmospheric measurement-based emission estimates are 20 times larger than EDGARv4.2 for C4F10 and over three orders of magnitude larger for C5F12 (with 2008 EDGARv4.2 estimates for C5F12 at 9.6 kg yr-1, as compared to 67±53 t yr-1 as derived in this study). The derived emission estimates for C6F14 largely agree with the bottom-up estimates from EDGARv4.2. Moreover, the C7F16 emission estimates are comparable to those of EDGARv4.2 at their peak in the 1990s, albeit significant underestimation for the other time periods. There are no bottom-up emission estimates for C8F18, thus the emission rates reported here are the first for C8F18. The reported inventories for C4F10, C5F12 and C6F14 to UNFCCC are five to ten times lower than those

  16. Photophysical Dynamics and Relaxation Pathways of Ligand-to-Metal Charge-Transfer States in the 5f(1) [Np(VI)O2Cl4](2-) Anion.

    PubMed

    Barker, Beau J; Berg, John M; Kozimor, Stosh A; Wozniak, Nicholas R; Wilkerson, Marianne P

    2017-03-30

    Although several publications report on the electronic structure of the neptunyl ion, experimental measurements to detail the photophysical dynamics of this open-shell actinyl system are limited in number. Time-resolved photoluminescence has been a useful experimental approach for understanding photophysical dynamics and relaxation pathways of a variety of other molecular and ionic systems, including gaseous plutonium hexafluoride and solid-state uranyl compounds. Here, we investigate time-resolved photoluminescence emission of the 5f(1) neptunyl tetrachloride ([Np(VI)O2Cl4](2-)) dianion following visible excitation. Photoemission of the lowest energy neptunyl ligand-to-metal charge-transfer (LMCT) transitions to both the ground and first electronically excited states is observed. Analyses of the decay lifetimes of the excited states suggest different relaxation pathways as a function of excitation energy. Vibronic progressions associated with the Np-oxo symmetric stretching mode are measured in emission spectra, and the energies from these progressions are compared with energies of vibronic progressions associated with the excitation spectra of [Np(VI)O2Cl4](2-). This study expands our understanding of this open-shell actinyl system beyond identification of excited states, allowing characterization of photophysical properties and evidence for the electronic character of the ground state, and suggests that this approach may be applicable to more complex actinide systems.

  17. Electron holography study of magnetization behavior in the writer pole of a perpendicular magnetic recording head by a 1 MV transmission electron microscope.

    PubMed

    Hirata, Kei; Ishida, Yoichi; Akashi, Tetsuya; Shindo, Daisuke; Tonomura, Akira

    2012-01-01

    The magnetic domain structure of the writer poles of perpendicular magnetic recording heads was studied using electron holography. Although the domain structure of a 100-nm-thick writer pole could be observed with a 300 kV transmission electron microscope, that of the 250-nm-thick writer pole could not be analyzed due to the limited transmission capability of the instrument. On the other hand, the detailed domain structure of the 250-nm-thick writer pole was successfully analyzed by a 1 MV electron microscope using its high transmission capability. The thickness and material dependency of the domain structure of a writer pole were discussed.

  18. Intracellular-produced hydroxyl radical mediates H2O2-induced Ca2+ influx and cell death in rat beta-cell line RIN-5F.

    PubMed

    Ishii, Masakazu; Shimizu, Shunichi; Hara, Yuji; Hagiwara, Tamio; Miyazaki, Akira; Mori, Yasuo; Kiuchi, Yuji

    2006-06-01

    The melastatin-related transient receptor potential channel TRPM2 is a Ca(2+)-permeable channel that is activated by H(2)O(2), and the Ca(2+) influx through TRPM2 mediates cell death. However, the responsible oxidants for TRPM2 activation remain to be identified. In the present study, we investigated the involvement of hydroxyl radical on TRPM2 activation in TRPM2-expressing HEK293 cells and the rat beta-cell line RIN-5F. In both cell types, H(2)O(2) induced Ca(2+) influx in a concentration-dependent manner. However, the addition of hydroxyl radical, which was produced by mixing FeSO(4) and H(2)O(2), to the cells, did not increase intracellular Ca(2+) concentration. Interestingly, when H(2)O(2) was added to the cells under intracellular Fe(2+)-accumulated conditions, Ca(2+) influx was markedly enhanced compared to H(2)O(2) alone. In addition, the H(2)O(2)-induced Ca(2+) influx was reduced by hydroxyl radical scavengers and an iron chelator. Under intracellular Fe(2+)-accumulated conditions, H(2)O(2)-induced RIN-5F cell death through TRPM2 activation was also markedly enhanced. Hydroxyl radical scavengers and an iron chelator suppressed the RIN-5F cell death by H(2)O(2). These results strongly suggest that the intracellular hydroxyl radical plays a key role in the activation of TRPM2 during H(2)O(2) treatment, and TRPM2 activation mediated by hydroxyl radical is implicated in H(2)O(2)-induced cell death in the beta-cell line RIN-5F.

  19. Utilizing Nano-focussed Bremstrahlung Isochromat Spectroscopy (nBIS) to Determine the Unoccupied Electronic Structure of Pu

    SciTech Connect

    Butterfield, M T; Tobin, J G; Teslich, N E; Bliss, R A; Wall, M A; McMahan, A K; Chung, B W; Schwartz, A J; Kutepov, A L

    2005-11-01

    Understanding the behavior of 5f electrons remains an unrealized ambition of condensed matter physics [1,2]. Recently, there has been a large amount of interest in the actinides, particularly plutonium, driven by the complex and intriguing behavior of Pu and several of its compounds [3-5]. This has prompted both theoretical and experimental investigations of 5f metals and compounds. Of the different allotropes of Pu, the d-phase is of particular interest because of the high symmetry crystal structure and the stability of the phase to low temperatures when alloyed with small amounts of trivalent elements. Consequently much of the recent experimental and theoretical work has focused on this allotrope. From an experimental point of view, the reactivity and radioactivity of Pu, and the complexity of the phase diagram, make it exceedingly complicated to collect high-quality data. Investigations of these complex behaviors all point back to being caused by the intriguing interplay of the various electron states and in particular the behavior of the 5f states. While there are a number of ongoing experimental efforts directed at determining the occupied electronic structure of Pu, there is essentially no experimental data on the unoccupied electronic structure of Pu. We aim to determine the conduction band (unoccupied) electronic structure of Pu and other actinides in a phase specific fashion and emphasizing bulk contributions by using Nano-focussed Bremstrahlung Isochromat Spectroscopy (nBIS). Bremstrahlung Isochromat Spectroscopy (BIS) is the high-energy variant of inverse photoelectron spectroscopy (IPES: electron in, photon out), which is essentially the time reversal of photoelectron spectroscopy (photon in, electron out). IPES can be used to follow the dispersion of electronic states in ordered samples. Owing to its low energies, IPES is usually very surface sensitive. However, by working at higher energies (>200 eV), we will sample preferentially for bulk properties

  20. Oxo-functionalization and reduction of the uranyl ion through lanthanide-element bond homolysis: synthetic, structural, and bonding analysis of a series of singly reduced uranyl-rare earth 5f1-4f(n) complexes.

    PubMed

    Arnold, Polly L; Hollis, Emmalina; Nichol, Gary S; Love, Jason B; Griveau, Jean-Christophe; Caciuffo, Roberto; Magnani, Nicola; Maron, Laurent; Castro, Ludovic; Yahia, Ahmed; Odoh, Samuel O; Schreckenbach, Georg

    2013-03-13

    The heterobimetallic complexes [{UO2Ln(py)2(L)}2], combining a singly reduced uranyl cation and a rare-earth trication in a binucleating polypyrrole Schiff-base macrocycle (Pacman) and bridged through a uranyl oxo-group, have been prepared for Ln = Sc, Y, Ce, Sm, Eu, Gd, Dy, Er, Yb, and Lu. These compounds are formed by the single-electron reduction of the Pacman uranyl complex [UO2(py)(H2L)] by the rare-earth complexes Ln(III)(A)3 (A = N(SiMe3)2, OC6H3Bu(t)2-2,6) via homolysis of a Ln-A bond. The complexes are dimeric through mutual uranyl exo-oxo coordination but can be cleaved to form the trimetallic, monouranyl "ate" complexes [(py)3LiOUO(μ-X)Ln(py)(L)] by the addition of lithium halides. X-ray crystallographic structural characterization of many examples reveals very similar features for monomeric and dimeric series, the dimers containing an asymmetric U2O2 diamond core with shorter uranyl U═O distances than in the monomeric complexes. The synthesis by Ln(III)-A homolysis allows [5f(1)-4f(n)]2 and Li[5f(1)-4f(n)] complexes with oxo-bridged metal cations to be made for all possible 4f(n) configurations. Variable-temperature SQUID magnetometry and IR, NIR, and EPR spectroscopies on the complexes are utilized to provide a basis for the better understanding of the electronic structure of f-block complexes and their f-electron exchange interactions. Furthermore, the structures, calculated by restricted-core or all-electron methods, are compared along with the proposed mechanism of formation of the complexes. A strong antiferromagnetic coupling between the metal centers, mediated by the oxo groups, exists in the U(V)Sm(III) monomer, whereas the dimeric U(V)Dy(III) complex was found to show magnetic bistability at 3 K, a property required for the development of single-molecule magnets.

  1. Behavior of urban residents toward the discarding of waste electrical and electronic equipment: a case study in Baoding, China.

    PubMed

    Li, Jinhui; Liu, Lili; Ren, Junshu; Duan, Huabo; Zheng, Lixia

    2012-11-01

    The volume of waste electrical and electronic equipment (WEEE) is growing rapidly worldwide, making its management difficult; therefore, this should be improved as a matter of urgency. WEEE includes both essential household appliances [including televisions, refrigerators, and washing machines; but not air conditioners, where the consumption mode is more like information, communication and technology (ICT)] ICT equipment (also called high-tech household appliances). In the present study, Baoding, a medium-sized, prefecture-level city in north central China with a population of 11 million, including 1.1 million urban residents, was selected as a representative city for an investigation of recycling behaviors. A valid sample size of 346 households in Baoding was investigated, and categorized into various income and educational levels. The results showed that the major reason for discarding WEEE was malfunction of the appliance, accounting for 52% of disposals. Surveyed households with either high income or good education were more likely to consume high-tech household appliances, attracted by advanced technology, versatile functions or flexibility of use. Personal computer ownership rates were highest in households with a high income and good education-1.2 and 0.9 per home respectively. WEEE was most often sold to peddlers or hawkers from where the WEEE flowed into the second-hand market to be refurbished or repaired, and then re-sold. However, 56.3% of residents in the college community were in support of charging consumers for disposal and 61.7% were in support of including a disposal surcharge in the purchase price of new products-a percentage approximately three times that for high-income residents. Thus, high educational level appears to be currently the most important factor in raising the potential of a household's willingness to pay for WEEE treatment cost. The findings of this study can be used to develop sound recycling systems for WEEE in mainland China.

  2. Genetic testing behavior and reporting patterns in electronic medical records for physicians trained in a primary care specialty or subspecialty

    PubMed Central

    Li, Cheng; Lester, William T

    2012-01-01

    Objective To characterize important patterns of genetic testing behavior and reporting in modern electronic medical records (EMRs) at the institutional level. Materials and methods Retrospective observational study using EMR data of all 10 715 patients who received genetic testing by physicians trained in a primary care specialty or subspecialty at an academic medical center between January 1, 2008 and December 31, 2010. Results Patients had a mean±SD age of 38.3±15.8 years (median 36.1, IQR 30.0–43.8). The proportion of female subjects in the study population was larger than in the general patient population (77.2% vs 55.0%, p<0.001) and they were younger than the male subjects in the study (36.5±13.2 vs 44.6±21.2 years, p<0.001). Approximately 1.1% of all patients received genetic testing. There were 942 physicians who ordered a total of 15 320 genetic tests. By volume, commonly tested genes involved mutations for cystic fibrosis (36.7%), prothrombin (13.7%), Tay–Sachs disease (6.7%), hereditary hemochromatosis (4.4%), and chronic myelogenous leukemia (4.1%). EMRs stored reports as free text with categorical descriptions of mutations and an average length of 269.4±153.2 words (median 242, IQR 146–401). Conclusions In this study, genetic tests were often ordered by a diverse group of physicians for women of childbearing age being evaluated for diseases that may affect potential offspring. EMRs currently serve primarily as a storage warehouse for textual reports that could potentially be transformed into meaningful structured data for next-generation clinical decision support. Further studies are needed to address the design, development, and implementation of EMRs capable of managing the critical genetic health information challenges of the future. PMID:22511017

  3. An investigation of used electronics return flows: a data-driven approach to capture and predict consumers storage and utilization behavior.

    PubMed

    Sabbaghi, Mostafa; Esmaeilian, Behzad; Raihanian Mashhadi, Ardeshir; Behdad, Sara; Cade, Willie

    2015-02-01

    Consumers often have a tendency to store their used, old or un-functional electronics for a period of time before they discard them and return them back to the waste stream. This behavior increases the obsolescence rate of used still-functional products leading to lower profitability that could be resulted out of End-of-Use (EOU) treatments such as reuse, upgrade, and refurbishment. These types of behaviors are influenced by several product and consumer-related factors such as consumers' traits and lifestyles, technology evolution, product design features, product market value, and pro-environmental stimuli. Better understanding of different groups of consumers, their utilization and storage behavior and the connection of these behaviors with product design features helps Original Equipment Manufacturers (OEMs) and recycling and recovery industry to better overcome the challenges resulting from the undesirable storage of used products. This paper aims at providing insightful statistical analysis of Electronic Waste (e-waste) dynamic nature by studying the effects of design characteristics, brand and consumer type on the electronics usage time and end of use time-in-storage. A database consisting of 10,063 Hard Disk Drives (HDD) of used personal computers returned back to a remanufacturing facility located in Chicago, IL, USA during 2011-2013 has been selected as the base for this study. The results show that commercial consumers have stored computers more than household consumers regardless of brand and capacity factors. Moreover, a heterogeneous storage behavior is observed for different brands of HDDs regardless of capacity and consumer type factors. Finally, the storage behavior trends are projected for short-time forecasting and the storage times are precisely predicted by applying machine learning methods.

  4. 5f delocalization-induced suppression of quadrupolar order in U(Pd1-xPtx)₃

    DOE PAGES

    Walker, H. C.; Le, M. D.; McEwen, K. A.; ...

    2011-12-27

    We present bulk magnetic and transport measurements and x-ray resonant scattering measurements on U(Pd1-xPtx)₃ for x=0.005 and 0.01, which demonstrate the high sensitivity of the quadrupolar order in the canonical antiferroquadrupolar ordered system UPd₃ to doping with platinum. Bulk measurements for x=0.005 reveal behavior similar to that seen in UPd₃, albeit at a lower temperature, and x-ray resonant scattering provides evidence of quadrupolar order described by the Qxy order parameter. In contrast, bulk measurements reveal only an indistinct transition in x=0.01, consistent with the observation of short-range quadrupolar order in our x-ray resonant scattering results.

  5. New type of brightness variations of the colliding wind WO4 + O5((f)) binary WR 30a

    NASA Astrophysics Data System (ADS)

    Paardekooper, S. J.; van der Hucht, K. A.; van Genderen, A. M.; Brogt, E.; Gieles, M.; Meijerink, R.

    2003-06-01

    We present new photometric observations in Johnson V and B of WR 30a, revealing relative dramatic changes in brightness of 0fm 2. These variations occur on a time scale of hours, and are only seen in V. We argue that they are not caused by dust extinction, but either by a dramatic change in the strength of the C IV 5801-12 Å emission line doublet due to a de-excitation process, or by some unknown continuum effect. Tables 2-4 are only available in electronic form at the CDS via anonymous ftp to cdsarc.u-strasbg.fr (130.79.128.5) or via http://cdsweb.u-strasbg.fr/cgi-bin/qcat?J/A+A/404/L29

  6. Quasi-Two-Dimensional Electron Gas Behavior in Doped LaAlO3 Thin Films on SrTiO3 Substrates

    DTIC Science & Technology

    2013-04-03

    REPORT Quasi-two-dimensional electron gas behavior in doped LaAlO3 thin films on SrTiO3 substrates 14. ABSTRACT 16. SECURITY CLASSIFICATION OF: We have...demonstrated the growth of Tm and Lu doped LaAlO3 epitaxial thin films on single crystal (001) SrTiO3 substrates. These rare-earth dopants...gas behavior in doped LaAlO3 thin films on SrTiO3 substrates Report Title ABSTRACT We have demonstrated the growth of Tm and Lu doped LaAlO3 epitaxial

  7. Investigation of electron behavior in Nano-TiO2 photocatalysis by using in situ open-circuit voltage and photoconductivity measurements.

    PubMed

    Liu, Baoshun; Wang, Xuelei; Wen, Liping; Zhao, Xiujian

    2013-08-05

    The in situ open-circuit voltages (Voc ) and the in situ photoconductivities have been measured to study electron behavior in photocatalysis and its effect on the photocatalytic oxidation of methanol. It was observed that electron injection to the conduction band (CB) of TiO2 under light illumination during photocatalysis includes two sources: from the valence band (VB) of TiO2 and from the methanol molecule. The electron injection from methanol to TiO2 is slower than that directly from the VB, which indicates that the adsorption mode of methanol on the TiO2 surface can change between dark and illuminated states. The electron injection from methanol to the CB of TiO2 leads to the upshift of the Fermi level of electrons in TiO2 , which is the thermodynamic driving force of photocatalytic oxidation. It was also found that the charge state of nano-TiO2 is continuously changing during photocatalysis as electrons are injected from methanol to TiO2 . Combined with the apparent Langmuir-Hinshelwood kinetic model, the relation between photocatalytic kinetics and electrons in the TiO2 CB was developed and verified experimentally. The photocatalytic rate constant is the variation of the Fermi level with time, based on which a new method was developed to calculate the photocatalytic kinetic rate constant by monitoring the change of Voc with time during photocatalysis.

  8. Site-selective electronic correlation in α-plutonium metal.

    PubMed

    Zhu, Jian-Xin; Albers, R C; Haule, K; Kotliar, G; Wills, J M

    2013-01-01

    An understanding of the phase diagram of elemental plutonium (Pu) must include both, the effects of the strong directional bonding and the high density of states of the Pu 5f electrons, as well as how that bonding weakens under the influence of strong electronic correlations. Here we present electronic-structure calculations of the full 16-atom per unit cell α-phase structure within the framework of density functional theory together with dynamical mean-field theory. Our calculations demonstrate that Pu atoms sitting on different sites within the α-Pu crystal structure have a strongly varying site dependence of the localization-delocalization correlation effects of their 5f electrons and a corresponding effect on the bonding and electronic properties of this complicated metal. In short, α-Pu has the capacity to simultaneously have multiple degrees of electron localization/delocalization of Pu 5f electrons within a pure single-element material.

  9. An investigation of used electronics return flows: A data-driven approach to capture and predict consumers storage and utilization behavior

    SciTech Connect

    Sabbaghi, Mostafa; Esmaeilian, Behzad; Raihanian Mashhadi, Ardeshir; Behdad, Sara; Cade, Willie

    2015-02-15

    Highlights: • We analyzed a data set of HDDs returned back to an e-waste collection site. • We studied factors that affect the storage behavior. • Consumer type, brand and size are among factors which affect the storage behavior. • Commercial consumers have stored computers more than household consumers. • Machine learning models were used to predict the storage behavior. - Abstract: Consumers often have a tendency to store their used, old or un-functional electronics for a period of time before they discard them and return them back to the waste stream. This behavior increases the obsolescence rate of used still-functional products leading to lower profitability that could be resulted out of End-of-Use (EOU) treatments such as reuse, upgrade, and refurbishment. These types of behaviors are influenced by several product and consumer-related factors such as consumers’ traits and lifestyles, technology evolution, product design features, product market value, and pro-environmental stimuli. Better understanding of different groups of consumers, their utilization and storage behavior and the connection of these behaviors with product design features helps Original Equipment Manufacturers (OEMs) and recycling and recovery industry to better overcome the challenges resulting from the undesirable storage of used products. This paper aims at providing insightful statistical analysis of Electronic Waste (e-waste) dynamic nature by studying the effects of design characteristics, brand and consumer type on the electronics usage time and end of use time-in-storage. A database consisting of 10,063 Hard Disk Drives (HDD) of used personal computers returned back to a remanufacturing facility located in Chicago, IL, USA during 2011–2013 has been selected as the base for this study. The results show that commercial consumers have stored computers more than household consumers regardless of brand and capacity factors. Moreover, a heterogeneous storage behavior is

  10. Hot electron induced non-saturation current behavior at high electric field in InAlN/GaN heterostructures with ultrathin barrier

    PubMed Central

    Guo, Lei; Yang, Xuelin; Hu, Anqi; Feng, Zhihong; Lv, Yuanjie; Zhang, Jie; Cheng, Jianpeng; Tang, Ning; Wang, Xinqiang; Ge, Weikun; Shen, Bo

    2016-01-01

    The high-field transport characteristics of nearly lattice-matched InAlN/GaN heterostructures with different barrier thickness were investigated. It is found that the current in the InAlN/GaN heterostructures with ultrathin barrier shows unsaturated behaviors (or secondary rising) at high voltage, which is different from that of AlGaN/GaN heterostructures. This phenomenon is more obvious if the barrier thickness is thinner and the channel width is narrower. The experimental results demonstrate that it is the increasing carrier density excited from the more defect states by the hot electrons with larger electron saturation velocity that results in the unsaturated current behaviors in InAlN/GaN heterostructures. Our results pave a way for further optimizing InAlN barrier design and improving the reliability of InAlN/GaN HEMTs. PMID:27876766

  11. Cocrystallization of certain 4f and 5f elements in the bivalent state with alkali metal halides

    SciTech Connect

    Mikheev, N.B.; Kamenskaya, A.M.; Veleshko, I.E.; Kulyukhin, S.A.

    1987-01-01

    The cocrystallization of Fm/sup 2 +/, Es/sup 2 +/, Cf/sup 2 +/, Am/sup 2 +/, Yb/sup 2 +/, Eu/sup 2 +/ and Sr/sup 2 +/ with NaCl, KCl and KBr in tetrahydrofuran (THF), hexamethylphosphorotriamide (HMPA), and ethanol has been studied. It is shown that in water-ethanol medium An/sup 2 +/ cocrystallize with KCl by the formation of anomalous mixed crystals and Ln/sup 2 +/ do not cocrystallize. In HMPA neither Ln/sup 2 +/ nor An/sup 2 +/ are observed to transfer into the KBr solid phase, while in THF both Ln/sup 2 +/ and An/sup 2 +/ cocrystallize with NaCl. The change in the behavior on Ln/sup 2 +/ and An/sup 2 +/ cocrystallize with a change from one solvent to another is caused by the difference in the effective ionic radii of these elements, which arises from the large nephelauxetic effect for An/sup 2 +/ as well as by the different solvating power of these solvents.

  12. Intramolecular sensitization of americium luminescence in solution: Shining light on short-lived forbidden 5f transitions

    SciTech Connect

    Sturzbecher-Hoehne, M.; Yang, P.; D'Aleo, A.; Abergel, R. J.

    2016-03-10

    In this study, the photophysical properties and solution thermodynamics of water soluble trivalent americium (AmIII) complexes formed with multidentate chromophore-bearing ligands, 3,4,3-LI(1,2-HOPO), Enterobactin, and 5-LIO(Me-3,2-HOPO), were investigated. The three chelators were shown to act as antenna chromophores for AmIII, generating sensitized luminescence emission from the metal upon complexation, with very short lifetimes ranging from 33 to 42 ns and low luminescence quantum yields (10–3 to 10–2%), characteristic of Near Infra-Red emitters in similar systems. The specific emission peak of AmIII assigned to the 5D17F1 f–f transition was exploited to characterize the high proton-independent stability of the complex formed with the most efficient sensitizer 3,4,3-LI(1,2-HOPO), with a log β110 = 20.4 ± 0.2 value. In addition, the optical and solution thermodynamic features of these AmIII complexes, combined with density functional theory calculations, were used to probe the influence of electronic structure on coordination properties across the f-element series and to gain insight into ligand field effects.

  13. Intramolecular sensitization of americium luminescence in solution: Shining light on short-lived forbidden 5f transitions

    DOE PAGES

    Sturzbecher-Hoehne, M.; Yang, P.; D'Aleo, A.; ...

    2016-03-10

    In this study, the photophysical properties and solution thermodynamics of water soluble trivalent americium (AmIII) complexes formed with multidentate chromophore-bearing ligands, 3,4,3-LI(1,2-HOPO), Enterobactin, and 5-LIO(Me-3,2-HOPO), were investigated. The three chelators were shown to act as antenna chromophores for AmIII, generating sensitized luminescence emission from the metal upon complexation, with very short lifetimes ranging from 33 to 42 ns and low luminescence quantum yields (10–3 to 10–2%), characteristic of Near Infra-Red emitters in similar systems. The specific emission peak of AmIII assigned to the 5D1 → 7F1 f–f transition was exploited to characterize the high proton-independent stability of the complex formedmore » with the most efficient sensitizer 3,4,3-LI(1,2-HOPO), with a log β110 = 20.4 ± 0.2 value. In addition, the optical and solution thermodynamic features of these AmIII complexes, combined with density functional theory calculations, were used to probe the influence of electronic structure on coordination properties across the f-element series and to gain insight into ligand field effects.« less

  14. Intramolecular sensitization of americium luminescence in solution: shining light on short-lived forbidden 5f transitions.

    PubMed

    Sturzbecher-Hoehne, M; Yang, P; D'Aléo, A; Abergel, R J

    2016-06-14

    The photophysical properties and solution thermodynamics of water soluble trivalent americium (Am(III)) complexes formed with multidentate chromophore-bearing ligands, 3,4,3-LI(1,2-HOPO), Enterobactin, and 5-LIO(Me-3,2-HOPO), were investigated. The three chelators were shown to act as antenna chromophores for Am(III), generating sensitized luminescence emission from the metal upon complexation, with very short lifetimes ranging from 33 to 42 ns and low luminescence quantum yields (10(-3) to 10(-2)%), characteristic of Near Infra-Red emitters in similar systems. The specific emission peak of Am(III) assigned to the (5)D1 → (7)F1 f-f transition was exploited to characterize the high proton-independent stability of the complex formed with the most efficient sensitizer 3,4,3-LI(1,2-HOPO), with a log β110 = 20.4 ± 0.2 value. In addition, the optical and solution thermodynamic features of these Am(III) complexes, combined with density functional theory calculations, were used to probe the influence of electronic structure on coordination properties across the f-element series and to gain insight into ligand field effects.

  15. Model for Electron-Beam-Induced Current Analysis of mc-Si Addressing Defect Contrast Behavior in Heavily Contaminated PV Material: Preprint

    SciTech Connect

    Guthrey, H.; Gorman, B.; Al-Jassim, M.

    2012-06-01

    Much work has been done to correlate electron-beam-induced current (EBIC) contrast behavior of extended defects with the character and degree of impurity decoration. However, existing models fail to account for recently observed contrast behavior of defects in heavily contaminated mc-Si PV cells. We have observed large increases in defect contrast with decreasing temperature for all electrically active defects, regardless of their initial contrast signatures at ambient temperature. This negates the usefulness of the existing models in identifying defect character and levels of impurity decoration based on the temperature dependence of the contrast behavior. By considering the interactions of transition metal impurities with the silicon lattice and extended defects, we attempt to provide an explanation for these observations. Our findings will enhance the ability of the PV community to understand and mitigate the effects of these types of defects as the adoption of increasingly lower purity feedstocks for mc-Si PV production continues.

  16. TESTING OF ENHANCED CHEMICAL CLEANING OF SRS ACTUAL WASTE TANK 5F AND TANK 12H SLUDGES

    SciTech Connect

    Martino, C.; King, W.

    2011-08-22

    using SRS sludge tank sample material. A Task Technical and Quality Assurance Plan (TTQAP) details the experimental plan as outlined by the Technical Task Request (TTR). The TTR identifies that the data produced by this testing and results included in this report will support the technical baseline with portions having a safety class functional classification. The primary goals for SRNL RWT are as follows: (1) to confirm ECC performance with real tank sludge samples, (2) to determine the impact of ECC on fate of actinides and the other sludge metals, and (3) to determine changes, if any, in solids flow and settling behavior.

  17. Global emission estimates and radiative impact of C4F10, C5F12, C6F14, C7F16 and C8F18

    NASA Astrophysics Data System (ADS)

    Ivy, D. J.; Rigby, M.; Baasandorj, M.; Burkholder, J. B.; Prinn, R. G.

    2012-05-01

    Global emission estimates based on new atmospheric observations are presented for the acylic high molecular weight perfluorocarbons (PFCs): decafluorobutane (C4F10), dodecafluoropentane (C5F12), tetradecafluorohexane (C6F14), hexadecafluoroheptane (C7F16) and octadecafluorooctane (C8F18). Emissions are estimated using a 3-dimensional chemical transport model and an inverse method that includes a growth constraint on emissions. The observations used in the inversion are based on newly measured archived air samples that cover a 39-yr period, from 1973 to 2011, and include 36 Northern Hemispheric and 46 Southern Hemispheric samples (Ivy et al., 2012). The derived emission estimates show that global emission rates were largest in the 1980s and 1990s for C4F10 and C5F12, and in the 1990s for C6F14,C7F16 and C8F18. After a subsequent decline, emissions have remained relatively stable, within 20%, for the last 5 yr. Bottom-up emission estimates are available from the Emission Database for Global Atmospheric Research version 4.2 (EDGARv4.2) for C4F10, C5F12, C6F14 and C7F16, and inventories of C4F10, C5F12 andC6F14 are reported to the United Nations' Framework Convention on Climate Change (UNFCCC) by Annex 1 countries that have ratified the Kyoto Protocol. The atmospheric measurement based emission estimates are 20 times larger than EDGARv4.2 for C4F10 and over three orders of magnitude for C5F12. The derived emission estimates for C6F14 largely agree with the bottom-up estimates from EDGARv4.2. Moreover, the C7F16 emission estimates are comparable to those of EDGARv4.2 at their peak in the 1990s, albeit significant underestimation for the other time periods. There are no bottom-up emission estimates for C8F18, thus the emission rates reported here are the first for C8F18. The reported inventories for C4F10, C5F12 and C6F14 to UNFCCC are five to ten times lower than those estimated in this study. In addition, we present measured infrared absorption spectra for C7F16 and C8

  18. Pentylindole/Pentylindazole Synthetic Cannabinoids and Their 5-Fluoro Analogs Produce Different Primary Metabolites: Metabolite Profiling for AB-PINACA and 5F-AB-PINACA.

    PubMed

    Wohlfarth, Ariane; Castaneto, Marisol S; Zhu, Mingshe; Pang, Shaokun; Scheidweiler, Karl B; Kronstrand, Robert; Huestis, Marilyn A

    2015-05-01

    Whereas non-fluoropentylindole/indazole synthetic cannabinoids appear to be metabolized preferably at the pentyl chain though without clear preference for one specific position, their 5-fluoro analogs' major metabolites usually are 5-hydroxypentyl and pentanoic acid metabolites. We determined metabolic stability and metabolites of N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-pentyl-1H-indazole-3-carboxamide (AB-PINACA) and 5-fluoro-AB-PINACA (5F-AB-PINACA), two new synthetic cannabinoids, and investigated if results were similar. In silico prediction was performed with MetaSite (Molecular Discovery). For metabolic stability, 1 μmol/L of each compound was incubated with human liver microsomes for up to 1 h, and for metabolite profiling, 10 μmol/L was incubated with pooled human hepatocytes for up to 3 h. Also, authentic urine specimens from AB-PINACA cases were hydrolyzed and extracted. All samples were analyzed by liquid chromatography high-resolution mass spectrometry on a TripleTOF 5600+ (AB SCIEX) with gradient elution (0.1% formic acid in water and acetonitrile). High-resolution full-scan mass spectrometry (MS) and information-dependent acquisition MS/MS data were analyzed with MetabolitePilot (AB SCIEX) using different data processing algorithms. Both drugs had intermediate clearance. We identified 23 AB-PINACA metabolites, generated by carboxamide hydrolysis, hydroxylation, ketone formation, carboxylation, epoxide formation with subsequent hydrolysis, or reaction combinations. We identified 18 5F-AB-PINACA metabolites, generated by the same biotransformations and oxidative defluorination producing 5-hydroxypentyl and pentanoic acid metabolites shared with AB-PINACA. Authentic urine specimens documented presence of these metabolites. AB-PINACA and 5F-AB-PINACA produced suggested metabolite patterns. AB-PINACA was predominantly hydrolyzed to AB-PINACA carboxylic acid, carbonyl-AB-PINACA, and hydroxypentyl AB-PINACA, likely in 4-position. The most intense 5F

  19. Use of hypereutectoid high-speed steel 11M5F for the production of cutting and cold-stamping tools in the Avtovaz Joint-Stock Company

    NASA Astrophysics Data System (ADS)

    Malakhov, V. V.; Yartsev, A. N.; Buyanskaya, T. A.; Matveev, S. V.; Berdnikova, L. N.

    1997-05-01

    The development of low-alloy high-speed steels that reduce the production cost of cutting tools and dies can present practical interest for plants and small enterprises manufacturing tools for their special purposes. The present paper gives the results of an investigation of hypereutectoid low-alloy high-speed steel 11M5F and a widely used steel of grade R6M5. The basic and technological properties of these steels are compared, and the results of industrial tests of cutting, thread-rolling, cold-stamping tools and tools for semihot deformation operating under various conditions are described.

  20. Histone methylation is a critical regulator of the abnormal expression of POU5F1 and RASSF1A in testis cancer cell lines.

    PubMed

    Lambrot, R; Kimmins, S

    2011-04-01

    DNA and histone methylation are epigenetic modifications functioning in transcriptional control and have been implicated in the deregulation of gene expression in cancer. As a first step to determine if histone methylation could be involved in testis cancer pathogenesis, we performed immunofluorescent localization of histone H3 methylation at lysine 4 (H3-K4; gene activating) and lysine 9 (H3-K9; gene silencing) in healthy testis tissue and in samples of non-seminoma germ-cell tumours. In healthy testis, the distribution of histone H3 methylation was dependent on the developmental stage of spermatogenic cells and in non-seminoma, histone H3-K4 and K9 methylation was detected in all histological subtypes. This suggested that histone H3-K4 and K9 methylation could be associated with abnormal gene expression in non-seminoma. To determine the gene-specific function of histone H3 methylation, we proceeded to define the epigenetic status of key genes implicated in the pathogenesis of non-seminoma, namely the proto-oncogene POU5F1, which is overexpressed in testis cancer, and the tumour suppressor RASSF1A, which is aberrantly silenced. Cell lines representative of non-seminoma were treated with the chromatin-modifying drug, 5-aza-2'-deoxycytidine (5-aza-dC). Chromatin immunoprecipitation and real-time polymerase chain reaction analyses revealed that treatment with 5-aza-dC restored RASSF1A expression through a loss of gene silencing H3-K9 methylation and by retention of gene activating H3-K4 tri-methylation in the promoter region. In contrast, the expression of POU5F1 was reduced by 5-aza-dC and was associated with a loss of gene activating H3-K4 di-methylation in the promoter region. Analysis of DNA methylation revealed a slight reduction in DNA hypermethylation at the RASSF1A promoter, whereas the POU5F1 promoter remained mostly unmethylated and unaffected. Our results indicate that the effects of 5-aza-dC on histone methylation profiles are gene-specific and that

  1. Parental report of infant sleep behavior by electronic versus paper-and-pencil diaries, and their relationship to actigraphic sleep measurement.

    PubMed

    Müller, Silvana; Hemmi, Mirja H; Wilhelm, Frank H; Barr, Ronald G; Schneider, Silvia

    2011-12-01

    Reliable, valid and cost-effective methods for the assessment of infant sleep and sleep problems are of major importance. In this study, the first aim was to assess the agreement of an electronic diary as well as a paper diary with actigraphy for measuring infant sleep patterns in a community sample. The second aim was to assess the feasibility and acceptance of, and compliance with, the electronic diary and the paper diary. Ninety parents reported infant sleep behavior in a paper diary in their home environments for a total of 6 days, 95 in an electronic diary, within two consecutive weeks while actigraphic data were obtained simultaneously. We found moderate to good agreement between electronic diaries and actigraphy (r = 0.41-0.65, P < 0.01), and paper diaries and actigraphy (r = 0.47-0.70, P < 0.01). In addition, this study also found good agreement between both diaries and also between both diaries and actigraphy for sleep percentage over 24 h (electronic diaries and actigraphy: 54.1 ± 0.7%, 52.5 ± 0.7%, P < 0.05; paper diaries and actigraphy: 55.1 ± 0.5%, 52.2 ± 0.6%, P < 0.01) and for daytime (electronic diaries and actigraphy: 27.3 ± 0.9%, 23.5 ± 1.2%, P < 0.01; paper diaries and actigraphy: 27.3 ± 0.8%, 23.2 ± 1.0%, P < 0.01), with the exception that less daytime sleep was recorded on actigraphy than on either diary. In conclusion, the electronic diary and the paper diary are valid and well-accepted methods for the assessment of infant sleep. Parents preferred the electronic diary but, conversely, they were less compliant in completing it.

  2. Excited state reaction dynamics of Ti(a{sup 5}F{sub J}) + O{sub 2} → TiO(A{sup 3}Φ, B{sup 3}Π, C{sup 3}Δ) + O studied by a crossed-beam velocity map imaging technique

    SciTech Connect

    Honma, Kenji Tanaka, Yuhki

    2015-04-21

    Oxidation reactions of the gas-phase titanium atom in its excited state with oxygen molecule, Ti(a{sup 5}F{sub J}) + O{sub 2} → TiO(A{sup 3}Φ, B{sup 3}Π, C{sup 3}Δ) + O, were studied by a crossed-beam velocity map imaging technique at 14.3 kJ/mol of collision energy. Metastable excited Ti, Ti(a{sup 5}F{sub J}), was generated by an optical pumping method and the reaction products were detected by single photon-ionization followed by a time-of-flight mass analysis and a two dimensional detection. Three wavelengths were selected to ionize electronically excited TiO{sup ∗}, TiO(A{sup 3}Φ, B{sup 3}Π, C{sup 3}Δ). Time sliced images were measured, and angular and speed distributions of TiO{sup ∗} were determined. In all three ionization wavelengths, the angular distributions showed a forward-backward symmetry with low intensity at the sideway direction. The speed distributions were represented by the distributions based on the statistical energy partition into products. These results suggested that the reaction of Ti(a{sup 5}F{sub J}) to form TiO(B) and TiO(C) proceeds via a long-lived intermediate and confirmed that the mechanism proposed by the previous chemiluminescence study.

  3. A Transition from Localized to Strongly Correlated Electron Behavior and Mixed Valence Driven by Physical or Chemical Pressure in ACo2As2 (A = Eu and Ca).

    PubMed

    Tan, Xiaoyan; Fabbris, Gilberto; Haskel, Daniel; Yaroslavtsev, Alexander A; Cao, Huibo; Thompson, Corey M; Kovnir, Kirill; Menushenkov, Alexey P; Chernikov, Roman V; Garlea, V Ovidiu; Shatruk, Michael

    2016-03-02

    We demonstrate that the action of physical pressure, chemical compression, or aliovalent substitution in ACo2As2 (A = Eu and Ca) has a general consequence of causing these antiferromagnetic materials to become ferromagnets. In all cases, the mixed valence triggered at the electropositive A site results in the increase of the Co 3d density of states at the Fermi level. Remarkably, the dramatic alteration of magnetic behavior results from the very minor (<0.15 electron) change in the population of the 3d orbitals. The mixed valence state of Eu observed in the high-pressure (HP) form of EuCo2As2 exhibits a remarkable stability, achieving the average oxidation state of +2.25 at 12.6 GPa. In the case of CaCo2As2, substituting even 10% of Eu or La into the Ca site causes ferromagnetic ordering of Co moments. Similar to HP-EuCo2As2, the itinerant 3d ferromagnetism emerges from electronic doping into the Co layer because of chemical compression of Eu sites in Ca0.9Eu0.1Co1.91As2 or direct electron doping in Ca0.85La0.15Co1.89As2. The results reported herein demonstrate the general possibility of amplifying minor localized electronic effects to achieve major changes in material's properties via involvement of strongly correlated electrons.

  4. A Transition from Localized to Strongly Correlated Electron Behavior and Mixed Valence Driven by Physical or Chemical Pressure in ACo2As2 (A = Eu and Ca)

    DOE PAGES

    Tan, Xiaoyan; Fabbris, Gilberto; Haskel, Daniel; ...

    2016-02-03

    In this paper, we demonstrate that the action of physical pressure, chemical compression, or aliovalent substitution in ACo2As2 (A = Eu and Ca) has a general consequence of causing these antiferromagnetic materials to become ferromagnets. In all cases, the mixed valence triggered at the electropositive A site results in the increase of the Co 3d density of states at the Fermi level. Remarkably, the dramatic alteration of magnetic behavior results from the very minor (<0.15 electron) change in the population of the 3d orbitals. The mixed valence state of Eu observed in the high-pressure (HP) form of EuCo2As2 exhibits amore » remarkable stability, achieving the average oxidation state of +2.25 at 12.6 GPa. In the case of CaCo2As2, substituting even 10% of Eu or La into the Ca site causes ferromagnetic ordering of Co moments. Similar to HP-EuCo2As2, the itinerant 3d ferromagnetism emerges from electronic doping into the Co layer because of chemical compression of Eu sites in Ca0.9Eu0.1Co1.91As2 or direct electron doping in Ca0.85La0.15Co1.89As2. Finally, the results reported herein demonstrate the general possibility of amplifying minor localized electronic effects to achieve major changes in material’s properties via involvement of strongly correlated electrons.« less

  5. Autoradiographic distribution of /sup 14/C-labeled 3H-imidazo(4,5-f)quinoline-2-amines in mice

    SciTech Connect

    Bergman, K.

    1985-03-01

    The highly mutagenic heterocyclic amines, 2-amino-3-methylimidazo(4,5-f)quinoline (IQ) and 2-amino-3,4-dimethylimidazo(4,5-f)quinoline (MeIQ), are formed during heating of protein-rich foods. In order to gain information about the distribution and fate of IQ and MeIQ in vivo, a whole-body autoradiographic study of i.v.-injected /sup 14/C-labeled IQ and MeIQ has been performed in male NMRI, pregnant NMRI, and female C3H mice. IQ and MeIQ showed similar distribution patterns. At short survival times, the autoradiograms were characterized by an accumulation of radioactivity in metabolic and excretory organs (liver, kidney, bile, urine, gastric and intestinal contents, salivary glands, nasal mucosa, and Harder's gland), as well as in lymphomyeloid tissues (bone marrow, thymus, spleen and lymph nodes) and in endocrine and reproductive tissues (adrenal medulla, pancreatic islets, thyroid, hypophysis, testis, epididymis, seminal vesicles, ampulla, and prostate). The liver and kidney cortex were identified as sites of retention of nonextractable radioactivity. IQ and MeIQ showed a strong affinity for melanin. IQ and MeIQ passed the placenta, but no radioactivity was retained in fetal tissues. The results pinpoint the liver as a site of IQ- and MeIQ-mediated toxicity. Future studies of IQ and MeIQ may be guided by and clarify the role of other tissue localizations in the toxicity of IQ and MeIQ.

  6. Rat p53 gene mutations in primary Zymbal gland tumors induced by 2-amino-3-methylimidazo[4,5-f]quinoline, a food mutagen.

    PubMed Central

    Makino, H; Ishizaka, Y; Tsujimoto, A; Nakamura, T; Onda, M; Sugimura, T; Nagao, M

    1992-01-01

    There are reports of p53 gene mutations in various human cancers but not in rat tumor cell lines or rat primary tumor tissue. We found a p53 gene mutation in a cell line of a spontaneous squamous cell carcinoma of the rat Zymbal gland, SCC131, at codon 171 by direct sequencing of cDNA fragments amplified by PCR. We tested for p53 gene mutations in 15 primary Zymbal gland tumors induced by 2-amino-3-methylimidazo[4,5-f]quinoline by single-strand conformation polymorphism analysis of the PCR-amplified cDNA products. Samples of four tumors showed mobility shifts. Direct sequencing revealed that all these tumors had mutations in conserved regions or in scattered conserved residues. Single-strand conformation polymorphism analysis of cDNA suggested that mRNA from the wild-type allele of the p53 gene was not present in tumor cells of three of four positive cases, although genomic DNA analysis indicated that the wild-type allele was retained in all the cases. All mutations were found at a guanine base: three mutations were guanine----pyrimidine transversions and one was a deletion of a guanine base within a G+C-rich sequence. These findings indicate that 2-amino-3-methylimidazo[4,5-f]quinoline may be directly involved in induction of these mutations by forming DNA adducts at various sites in the p53 gene. Images PMID:1594584

  7. Schedules of Controlled Substances: Placement of PB-22, 5F-PB-22, AB-FUBINACA and ADB-PINACA into Schedule I. Final rule.

    PubMed

    2016-09-06

    With the issuance of this final rule, the Drug Enforcement Administration places quinolin-8-yl 1-pentyl-1H-indole-3-carboxylate (PB-22; QUPIC), quinolin-8-yl 1-(5-fluoropentyl)-1H-indole-3-carboxylate (5-fluoro-PB-22; 5F-PB-22), N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-(4-fluorobenzyl)-1H-indazole-3-carboxamide (AB-FUBINACA) and N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pentyl-1H-indazole-3-carboxamide (ADB-PINACA), including their salts, isomers, and salts of isomers whenever the existence of such salts, isomers, and salts of isomers is possible, into schedule I of the Controlled Substances Act. This scheduling action is pursuant to the Controlled Substances Act which requires that such actions be made on the record after opportunity for a hearing through formal rulemaking. This action imposes the regulatory controls and administrative, civil, and criminal sanctions applicable to schedule I controlled substances on persons who handle (manufacture, distribute, reverse distribute, import, export, engage in research, conduct instructional activities or chemical analysis, or possess), or propose to handle PB-22, 5F-PB-22, AB-FUBINACA, or ADB-PINACA.

  8. The behavior of beams of relativistic non-thermal electrons under the influence of collisions and synchrotron losses

    NASA Technical Reports Server (NTRS)

    Mctiernan, James M.; Petrosian, Vahe

    1989-01-01

    For many astrophysical situations, such as in solar flares or cosmic gamma-ray bursts, continuum gamma rays with energies up to hundreds of MeV were observed, and can be interpreted to be due to bremsstrahlung radiation by relativistic electrons. The region of acceleration for these particles is not necessarily the same as the region in which the radiation is produced, and the effects of the transport of the electrons must be included in the general problem. Hence it is necessary to solve the kinetic equation for relativistic electrons, including all the interactions and loss mechanisms relevant at such energies. The resulting kinetic equation for non-thermal electrons, including the effects of Coulomb collisions and losses due to synchrotron emission, was solved analytically in some simple limiting cases, and numerically for the general cases including constant and varying background plasma density and magnetic field. New approximate analytic solutions are presented for collision dominated cases, for small pitch angles and all energies, synchrotron dominated cases, both steady-state and time dependent, for all pitch angles and energies, and for cases when both synchrotron and collisional energy losses are important, but for relativistic electrons. These analytic solutions are compared to the full numerical results in the proper limits. These results will be useful for calculation of spectra and angular distribution of the radiation (x rays, gamma-rays, and microwaves) emitted via synchrotron or bremsstrahlung processes by the electrons. These properties and their relevance to observations will be observed in subsequent papers.

  9. The behavior of the electron density and temperatue at Millstone Hill during the equinox transition study September 1984

    NASA Technical Reports Server (NTRS)

    Richards, P. G.; Torr, D. G.; Buonsanto, M. J.; Miller, K. L.

    1989-01-01

    The ionospheric electron density and temperature variations is simulated during the equinox transition study in September 1984 and the results are compared with measurements made at Millstone Hill. The agreement between the modeled and measured electron density and temperature for the quiet day (18 September) is very good but there are large differences on the day of the storm (19 September). On the storm day, the measured electron density decreases by a factor of 1.7 over the previous day, while the model density actually increases slightly. The model failure is attributed to an inadequate increase in the ratio of atomic oxygen to molecular neutral densities in the MSIS neutral atmosphere model, for this particular storm. A factor of 3 to 5 increase in the molecular to atomic oxygen density ratio at 300 km is needed to explain the observed decrease in electron density. The effect of vibrationally excited N sub 2 on the electron density were studied and found to be small.

  10. Superconductivity and metallic behavior in Pb{sub x}C{sub y}O{sub δ} structures prepared by focused electron beam induced deposition

    SciTech Connect

    Winhold, M. Weirich, P. M.; Schwalb, C. H.; Huth, M.

    2014-10-20

    Focused electron beam induced deposition as a direct-write approach possesses great potential to meet the demands for superconducting nanostructure fabrication especially regarding its 3D patterning capabilities combined with the high resolution in the nanometer regime. So far, however, it was not possible to fabricate superconducting structures with this technique. In this work, we present a lead-based superconductor prepared by focused electron beam induced deposition by dissociation of the precursor tetraethyllead. The as-grown structures exhibit metallic behavior and a minimum resistivity in the normal state of ρ = 16 μΩcm at T = 9 K followed by a superconducting transition at T{sub c} = 7.2 K.

  11. A Transition from Localized to Strongly Correlated Electron Behavior and Mixed Valence Driven by Physical or Chemical Pressure in ACo2As2 (A = Eu and Ca)

    SciTech Connect

    Tan, Xiaoyan; Fabbris, Gilberto; Haskel, Daniel; Yaroslavtsev, Alexander A.; Cao, H.; Thompson, Corey M.; Kovnir, Kirill; Menushenkov, Alexey P.; Chernikov, Roman V.; Garlea, V. Ovidiu; Shatruk, Michael

    2016-03-02

    We demonstrate that the action of physical pressure, chemical compression, or aliovalent substitution in ACo(2)As(2) (A = Eu and Ca) has a general consequence of causing these antiferromagnetic materials to become ferromagnets. In all cases, the mixed valence triggered at the electropositive A site results in the increase of the Co 3d density of states at the Fermi level. Remarkably, the dramatic alteration of magnetic behavior results from the very minor (<0.15 eleetron) change in the population of the 3d orbitals. The mixed valence state of En observed in the high-pressure (HP) form of EuCo2As2 exhibits a remarkable stability, achieving the average oxidation state of +2.25 at 12.6 GPa. In the case of CaCo2As2, substituting even 10% of Eu or La into the Ca site causes ferromagnetic ordering of Co moments. Similar to HP-EuCo2As2, the itinerant 3d ferromagnetism emerges from electronic doping into the Co layer because of chemical compression of Eu sites in Ca0.9Eu0.1Co1.91As2 or direct electron doping in Ca0.85La0.15Co1.89As2. The results reported herein demonstrate the general possibility of amplifying minor localized electronic effects to achieve major changes in material's properties via involvement of strongly correlated electrons.

  12. Multi-scale full-orbit analysis on phase-space behavior of runaway electrons in tokamak fields with synchrotron radiation

    NASA Astrophysics Data System (ADS)

    Wang, Yulei; Qin, Hong; Liu, Jian

    2016-06-01

    In this paper, the secular full-orbit simulations of runaway electrons with synchrotron radiation in tokamak fields are carried out using a relativistic volume-preserving algorithm. Detailed phase-space behaviors of runaway electrons are investigated in different dynamical timescales spanning 11 orders. In the small timescale, i.e., the characteristic timescale imposed by Lorentz force, the severely deformed helical trajectory of energetic runaway electron is witnessed. A qualitative analysis of the neoclassical scattering, a kind of collisionless pitch-angle scattering phenomena, is provided when considering the coupling between the rotation of momentum vector and the background magnetic field. In large timescale up to 1 s, it is found that the initial condition of runaway electrons in phase space globally influences the pitch-angle scattering, the momentum evolution, and the loss-gain ratio of runaway energy evidently. However, the initial value has little impact on the synchrotron energy limit. It is also discovered that the parameters of tokamak device, such as the toroidal magnetic field, the loop voltage, the safety factor profile, and the major radius, can modify the synchrotron energy limit and the strength of neoclassical scattering. The maximum runaway energy is also proved to be lower than the synchrotron limit when the magnetic field ripple is considered.

  13. catena-Poly[[bis­[4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol]cadmium(II)]-μ-fumarato

    PubMed Central

    Shi, Li-Ping; Tiekink, Edward R. T.

    2009-01-01

    In the polymeric title compound, [Cd(C4H2O4)(C19H12N4O)2]n, the CdII centre is eight-coordinated within an N4O4 donor set derived from two chelating 4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol ligands and two asymmetrically chelating carboxyl­ate residues of bridging fumarate dianions. The linear chains are linked into a layer in the ac plane via O—H⋯Ocarboxyl­ate hydrogen bonds. Layers are connected into double layers via N—H⋯Ocarboxyl­ate hydrogen bonds and these stack along the b axis. C—H⋯π inter­actions are also present. Disorder in the ethyl­ene portion of the fumarate was modelled over two positions, the major component having a site-occupancy factor of 0.677 (15). PMID:21583349

  14. Energy up-conversion and trapping: Dynamics of 5f states of Bk sup 4+ in CeF sub 4

    SciTech Connect

    Liu, G.K.; Beitz, J.V.

    1991-01-01

    Energy transfer mechanisms of excited 5f states of Bk{sup 4+} (0.05 atom %) in CeF{sub 4} containing circa 0.95 atom % Cf{sup 4+} have been investigated at 4 K. The observed anti-Stokes fluorescence arises from both up-conversion and two-photon excitation. Nonexponential decays of Stokes fluorescence are ascribed to both excitation-excitation annihilation and site-dependent trapping processes and, therefore, are not describable by the Inokuti-Hirayama or exciton annihilation models. Based on the Forster-Dexter energy transfer theory, a new model is developed to fit the observed fluorescence decay data. 16 refs., 3 figs.

  15. Role of the local structure in superconductivity of LaO0.5F0.5BiS2‑x Se x system

    NASA Astrophysics Data System (ADS)

    Paris, E.; Mizuguchi, Y.; Hacisalihoglu, M. Y.; Hiroi, T.; Joseph, B.; Aquilanti, G.; Miura, O.; Mizokawa, T.; Saini, N. L.

    2017-04-01

    We have studied the local structure of LaO0.5F0.5BiS2‑x Se x by Bi L1-edge extended x-ray absorption fine structure (EXAFS). We find a significant effect of Se substitution on the local atomic correlations with a gradual elongation of average in-plane Bi-S bondlength. The associated mean square relative displacement, measuring average local distortions in the BiS2 plane, hardly shows any change for small Se substitution, but decreases significantly for x≥slant 0.6 . The Se substitution appears to suppress the local distortions within the BiS2 plane that may optimize in-plane orbital hybridization and hence the superconductivity. The results suggest that the local structure of the BiS2-layer is one of the key ingredients to control the physical properties of the BiS2-based dichalcogenides.

  16. Effect of epigenetic modification with trichostatin A and S-adenosylhomocysteine on developmental competence and POU5F1-EGFP expression of interspecies cloned embryos in dog.

    PubMed

    Mousai, M; Hosseini, S M; Hajian, M; Jafarpour, F; Asgari, V; Forouzanfar, M; Nasr-Esfahani, M H

    2015-10-01

    Adult canine fibroblasts stably transfected with either cytomegalovirus (CMV) or POU5F1 promoter-driven enhanced green fluorescent protein (EGFP) were used to investigate if pre-treatment of these donor cells with two epigenetic drugs [trichostatin A (TSA), or S-adenosylhomocysteine (SAH)] can improve the efficiency of interspecies somatic cell nuclear transfer (iSCNT). Fluorescence-activated cell sorting (FACS), analyses revealed that TSA, but not SAH, treatment of both transgenic and non-transgenic fibroblasts significantly increased acetylation levels compared with untreated relatives. The expression levels of Bcl2 and P53 were significantly affected in TSA-treated cells compared with untreated cells, whereas SAH treatment had no significant effect on cell apoptosis. Irrespective of epigenetic modification, dog/bovine iSCNT embryos had overall similar rates of cleavage and development to 8-16-cell and morula stages in non-transgenic groups. For transgenic reconstructed embryos, however, TSA and SAH could significantly improve development to 8-16-cell and morula stages compared with control. Even though, irrespective of cell transgenesis and epigenetic modification, none of the iSCNT embryos developed to the blastocyst stage. The iSCNT embryos carrying CMV-EGFP expressed EGFP at all developmental stages (2-cell, 4-cell, 8-16-cell, and morula) without mosaicism, while no POU5F1-EGFP signal was observed in any stage of developing iSCNT embryos irrespective of TSA/SAH epigenetic modifications. These results indicated that bovine oocytes partially remodel canine fibroblasts and that TSA and SAH have marginal beneficial effects on this process.

  17. The proton and electron radiation belts at geosynchronous orbit: Statistics and behavior during high-speed stream-driven storms

    NASA Astrophysics Data System (ADS)

    Borovsky, Joseph E.; Cayton, Thomas E.; Denton, Michael H.; Belian, Richard D.; Christensen, Roderick A.; Ingraham, J. Charles

    2016-06-01

    The outer proton radiation belt (OPRB) and outer electron radiation belt (OERB) at geosynchronous orbit are investigated using a reanalysis of the LANL CPA (Charged Particle Analyzer) 8-satellite 2-solar cycle energetic particle data set from 1976 to 1995. Statistics of the OPRB and the OERB are calculated, including local time and solar cycle trends. The number density of the OPRB is about 10 times higher than the OERB, but the 1 MeV proton flux is about 1000 times less than the 1 MeV electron flux because the proton energy spectrum is softer than the electron spectrum. Using a collection of 94 high-speed stream-driven storms in 1976-1995, the storm time evolutions of the OPRB and OERB are studied via superposed epoch analysis. The evolution of the OERB shows the familiar sequence (1) prestorm decay of density and flux, (2) early-storm dropout of density and flux, (3) sudden recovery of density, and (4) steady storm time heating to high fluxes. The evolution of the OPRB shows a sudden enhancement of density and flux early in the storm. The absence of a proton dropout when there is an electron dropout is noted. The sudden recovery of the density of the OERB and the sudden density enhancement of the OPRB are both associated with the occurrence of a substorm during the early stage of the storm when the superdense plasma sheet produces a "strong stretching phase" of the storm. These storm time substorms are seen to inject electrons to 1 MeV and protons to beyond 1 MeV into geosynchronous orbit, directly producing a suddenly enhanced radiation belt population.

  18. Soft X-ray Studies of Pu Electronic Structure: Past Lessons and Future Directions

    SciTech Connect

    Tobin, J G; Yu, S W

    2008-02-07

    Photoelectron Spectroscopy (PES) and X-ray Absorption Spectroscopy (XAS, Figure 1) have contributed greatly to our improved understanding of Pu electronic structure. From these and related measurements, the following has been determined: (1) The Pu 5f spin-orbit splitting is large; (2) The number of Pu5f electrons is near 5; and (3) The Pu 5f spin-orbit splitting effect dominates 5f itineracy. Significant questions remain concerning the nature of Pu electronic structure. Perhaps the missing piece of the puzzle is the direct experimental determination of the unoccupied electronic structure using high energy inverse photoelectron spectroscopy or Bremstrahlung Isochromat Spectroscopy (BIS). Past BIS studies of Th and U indicate the feasibility and utility of Pu studies.

  19. Effect of tunnel injection through the Schottky gate on the static and noise behavior of GaInAs/AlInAs high electron mobility transistor

    SciTech Connect

    Moro-Melgar, Diego; Mateos, Javier González, Tomás Vasallo, Beatriz G.

    2014-12-21

    By using a Monte Carlo simulator, the influence of the tunnel injection through the Schottky contact at the gate electrode of a GaInAs/AlInAs High Electron Mobility Transistor (HEMT) has been studied in terms of the static and noise performance. The method used to characterize the quantum tunnel current has been the Wentzel-Kramers-Brillouin (WKB) approach. The possibility of taking into account the influence of the image charge effect in the potential barrier height has been included as well. Regarding the static behavior, tunnel injection leads to a decrease in the drain current I{sub D} due to an enhancement of the potential barrier controlling the carrier transport through the channel. However, the pinch-off is degraded due to the tunneling current. Regarding the noise behavior, since the fluctuations in the potential barrier height caused by the tunnel-injected electrons are strongly coupled with the drain current fluctuations, a significant increase in the drain-current noise takes place, even when the tunnel effect is hardly noticeable in the static I-V characteristics, fact that must be taken into account when designing scaled HEMT for low-noise applications. In addition, tunnel injection leads to the appearance of full shot noise in the gate current.

  20. Electronic spectral behavior of bromophenol blue in oil in water microemulsions stabilized by sodium dodecyl sulfate and n-butanol

    NASA Astrophysics Data System (ADS)

    Sarma, Surashree; Dutta, Robin K.

    2006-06-01

    The visible spectra of bromophenol blue (BPB) in benzene-water-SDS-butanol oil in water microemulsions show an unusual behavior on increasing the concentration of the surfactant, at different fixed water pH and oil fractions. The dye shows absorption bands at 436 and 591 nm corresponding to the mono-negative (DH -) and doubly negative (D 2-) form in water at experimental pH 3.21 and 4.41. The DH - band initially increased with increase in [SDS] at the cost of the D 2- band as expected. But on increase in [SDS] above 0.128 M, the D 2- band, which is now red shifted to 600 nm, recovers at the cost of the DH - band, a behavior so far observed only for BPB. This unusual effect is augmented at higher pH, lower surfactant-cosurfactant ratio and higher oil fraction. The spectral behavior has been attributed to partition of formic acid, a buffer component between different pseudophases. Passage of undissociated formic acid away from aqueous pseudophase to oil pseudophase or oil-water interface increases the pH of the aqueous pseudophase where the D 2- form of the dye is more stable.

  1. Electronic Tagging of Atlantic Bluefin Tuna (Thunnus thynnus, L.) Reveals Habitat Use and Behaviors in the Mediterranean Sea

    PubMed Central

    Cermeño, Pablo; Quílez-Badia, Gemma; Ospina-Alvarez, Andrés; Sainz-Trápaga, Susana; Boustany, Andre M.; Seitz, Andy C.; Tudela, Sergi; Block, Barbara A.

    2015-01-01

    We analyzed the movements of Atlantic tuna (Thunnus thynnus L.) in the Mediterranean Sea using data from 2 archival tags and 37 pop-up satellite archival tags (PAT). Bluefin tuna ranging in size from 12 to 248 kg were tagged on board recreational boats in the western Mediterranean and the Adriatic Sea between May and September during two different periods (2000 to 2001 and 2008 to 2012). Although tuna migrations between the Mediterranean Sea and the Atlantic Ocean have been well reported, our results indicate that part of the bluefin tuna population remains in the Mediterranean basin for much of the year, revealing a more complex population structure. In this study we demonstrate links between the western Mediterranean, the Adriatic and the Gulf of Sidra (Libya) using over 4336 recorded days of location and behavior data from tagged bluefin tuna with a maximum track length of 394 days. We described the oceanographic preferences and horizontal behaviors during the spawning season for 4 adult bluefin tuna. We also analyzed the time series data that reveals the vertical behavior of one pop-up satellite tag recovered, which was attached to a 43.9 kg tuna. This fish displayed a unique diving pattern within 16 days of the spawning season, suggesting a use of the thermocline as a thermoregulatory mechanism compatible with spawning. The results obtained hereby confirm that the Mediterranean is clearly an important habitat for this species, not only as spawning ground, but also as an overwintering foraging ground. PMID:25671316

  2. Identification of Pou5f1, Sox2, and Nanog downstream target genes with statistical confidence by applying a novel algorithm to time course microarray and genome-wide chromatin immunoprecipitation data

    PubMed Central

    Sharov, Alexei A; Masui, Shinji; Sharova, Lioudmila V; Piao, Yulan; Aiba, Kazuhiro; Matoba, Ryo; Xin, Li; Niwa, Hitoshi; Ko, Minoru SH

    2008-01-01

    Background Target genes of a transcription factor (TF) Pou5f1 (Oct3/4 or Oct4), which is essential for pluripotency maintenance and self-renewal of embryonic stem (ES) cells, have previously been identified based on their response to Pou5f1 manipulation and occurrence of Chromatin-immunoprecipitation (ChIP)-binding sites in promoters. However, many responding genes with binding sites may not be direct targets because response may be mediated by other genes and ChIP-binding site may not be functional in terms of transcription regulation. Results To reduce the number of false positives, we propose to separate responding genes into groups according to direction, magnitude, and time of response, and to apply the false discovery rate (FDR) criterion to each group individually. Using this novel algorithm with stringent statistical criteria (FDR < 0.2) to a compendium of published and new microarray data (3, 6, 12, and 24 hr after Pou5f1 suppression) and published ChIP data, we identified 420 tentative target genes (TTGs) for Pou5f1. The majority of TTGs (372) were down-regulated after Pou5f1 suppression, indicating that the Pou5f1 functions as an activator of gene expression when it binds to promoters. Interestingly, many activated genes are potent suppressors of transcription, which include polycomb genes, zinc finger TFs, chromatin remodeling factors, and suppressors of signaling. Similar analysis showed that Sox2 and Nanog also function mostly as transcription activators in cooperation with Pou5f1. Conclusion We have identified the most reliable sets of direct target genes for key pluripotency genes – Pou5f1, Sox2, and Nanog, and found that they predominantly function as activators of downstream gene expression. Thus, most genes related to cell differentiation are suppressed indirectly. PMID:18522731

  3. Understanding catalyst behavior during in situ heating through simultaneous secondary and transmitted electron imaging

    SciTech Connect

    Howe, Jane Y.; Allard, Jr., Lawrence Frederick; Demers, Hendrix; Bigelow, Wilbur C.; Steven H. Overbury

    2014-11-14

    In situ heating study via a simultaneous secondary electron (SE) and transmitted electron (TE) microscopy is extremely insightful because information from the surface (SE) and bulk (TE) can be readily obtained. The leached Au/Fe2O3 catalyst has voids on the surface of Fe2O3. Upon heating to 500 °C, voids shrank and disappeared, while internal Au species diffused to the surface to form new nanoparticles. Heating in vacuum reduced Fe2O3 to Fe3O4. Heating at 700 °C caused coalescence and growth of Au particles and formation of faceted Fe3O4 surfaces. We achieved 1.1 nm resolution in SE imaging during in situ heating.

  4. Optical and chemical behaviors of CR-39 and Makrofol plastics under low-energy electron beam irradiation

    NASA Astrophysics Data System (ADS)

    El-Saftawy, Ashraf Ali; Abd El Aal, Saad Ahmed; Hassan, Nabil Mohamed; Abdelrahman, Moustafa Mohamed

    2016-07-01

    In this study, CR-39 and Makrofol plastic nuclear track detectors were irradiated with low-energy electron beams to study the effect of the induced changes on their optical and chemical properties. Surface chemical changes were recorded by Fourier transform infrared (FTIR) spectroscopy, which showed successive degradation and crosslinking for CR-39 and decomposition for Makrofol. The optical band gap was determined by UV-vis spectroscopy. Also, the parameters of carbon cluster formation and disordering (Urbach’s energy) occurring on plastic surfaces were examined. The intrinsic viscosity changes were investigated as well. As a result, low-energy electron beams were found to be useful for the control of many properties of the surfaces of the investigated detectors.

  5. Copper silicide/silicon nanowire heterostructures: in situ TEM observation of growth behaviors and electron transport properties.

    PubMed

    Chiu, Chung-Hua; Huang, Chun-Wei; Chen, Jui-Yuan; Huang, Yu-Ting; Hu, Jung-Chih; Chen, Lien-Tai; Hsin, Cheng-Lun; Wu, Wen-Wei

    2013-06-07

    Copper silicide has been studied in the applications of electronic devices and catalysts. In this study, Cu3Si/Si nanowire heterostructures were fabricated through solid state reaction in an in situ transmission electron microscope (TEM). The dynamic diffusion of the copper atoms in the growth process and the formation mechanism are characterized. We found that two dimensional stacking faults (SF) may retard the growth of Cu3Si. Due to the evidence of the block of edge-nucleation (heterogeneous) by the surface oxide, center-nucleation (homogeneous) is suggested to dominate the silicidation. Furthermore, the electrical transport properties of various silicon channel length with Cu3Si/Si heterostructure interfaces and metallic Cu3Si NWs have been investigated. The observations not only provided an alternative pathway to explore the formation mechanisms and interface properties of Cu3Si/Si, but also suggested the potential application of Cu3Si at nanoscale for future processing in nanotechnology.

  6. Electronic, optical and photocatalytic behavior of Mn, N doped and co-doped TiO2: Experiment and simulation

    NASA Astrophysics Data System (ADS)

    Zhao, Ya Fei; Li, Can; Lu, Song; Liu, Ru Xi; Hu, Ji Yuan; Gong, Yin Yan; Niu, Leng Yuan

    2016-03-01

    The crystal phase structure, surface morphology, chemical states and optical properties of Mn, N mono-doped and co-doped TiO2 nanoparticles were investigated by X-ray powder diffractometry, Raman spectra, scanning electron microscopy, X-ray photoelectron spectroscopy and UV-vis diffuse reflectance spectroscopy. Meanwhile, geometry structures, formation energies, electronic and optical properties of all systems have been also analyzed by density functional theory. The results showed that the band gap values and the carrier mobility in the valence band, conduction band and impurity levels have a synergetic influence on the visible-light absorption and photocatalytic activity of the doped TiO2. The number and the carrier mobility of impurity level jointly influence the photocatalytic activity of catalyst under visible-light. Especially, the photocatalytic activity of Mn-2N co-doped TiO2 beyond three-fold than that of pure TiO2 under visible-light.

  7. The Electronic Behavior of Zinc-Finger Protein Binding Sites in the Context of the DNA Extended Ladder Model

    NASA Astrophysics Data System (ADS)

    Oiwa, Nestor; Cordeiro, Claudette; Heermann, Dieter

    2016-05-01

    Instead of ATCG letter alignments, typically used in bioinformatics, we propose a new alignment method using the probability distribution function of the bottom of the occupied molecular orbital (BOMO), highest occupied molecular orbital (HOMO) and lowest unoccupied orbital (LUMO). We apply the technique to transcription factors with Cys2His2 zinc fingers. These transcription factors search for binding sites, probing for the electronic patterns at the minor and major DNA groves. The eukaryotic Cys2His2 zinc finger proteins bind to DNA ubiquitously at highly conserved domains. They are responsible for gene regulation and the spatial organization of DNA. To study and understand these zinc finger DNA-protein interactions, we use the extended ladder in the DNA model proposed by Zhu, Rasmussen, Balatsky & Bishop (2007) te{Zhu-2007}. Considering one single spinless electron in each nucleotide π-orbital along a double DNA chain (dDNA), we find a typical pattern for the bottom of BOMO, HOMO and LUMO along the binding sites. We specifically looked at two members of zinc finger protein family: specificity protein 1 (SP1) and early grown response 1 transcription factors (EGR1). When the valence band is filled, we find electrons in the purines along the nucleotide sequence, compatible with the electric charges of the binding amino acids in SP1 and EGR1 zinc finger.

  8. Copper silicide/silicon nanowire heterostructures: in situ TEM observation of growth behaviors and electron transport properties

    NASA Astrophysics Data System (ADS)

    Chiu, Chung-Hua; Huang, Chun-Wei; Chen, Jui-Yuan; Huang, Yu-Ting; Hu, Jung-Chih; Chen, Lien-Tai; Hsin, Cheng-Lun; Wu, Wen-Wei

    2013-05-01

    Copper silicide has been studied in the applications of electronic devices and catalysts. In this study, Cu3Si/Si nanowire heterostructures were fabricated through solid state reaction in an in situ transmission electron microscope (TEM). The dynamic diffusion of the copper atoms in the growth process and the formation mechanism are characterized. We found that two dimensional stacking faults (SF) may retard the growth of Cu3Si. Due to the evidence of the block of edge-nucleation (heterogeneous) by the surface oxide, center-nucleation (homogeneous) is suggested to dominate the silicidation. Furthermore, the electrical transport properties of various silicon channel length with Cu3Si/Si heterostructure interfaces and metallic Cu3Si NWs have been investigated. The observations not only provided an alternative pathway to explore the formation mechanisms and interface properties of Cu3Si/Si, but also suggested the potential application of Cu3Si at nanoscale for future processing in nanotechnology.Copper silicide has been studied in the applications of electronic devices and catalysts. In this study, Cu3Si/Si nanowire heterostructures were fabricated through solid state reaction in an in situ transmission electron microscope (TEM). The dynamic diffusion of the copper atoms in the growth process and the formation mechanism are characterized. We found that two dimensional stacking faults (SF) may retard the growth of Cu3Si. Due to the evidence of the block of edge-nucleation (heterogeneous) by the surface oxide, center-nucleation (homogeneous) is suggested to dominate the silicidation. Furthermore, the electrical transport properties of various silicon channel length with Cu3Si/Si heterostructure interfaces and metallic Cu3Si NWs have been investigated. The observations not only provided an alternative pathway to explore the formation mechanisms and interface properties of Cu3Si/Si, but also suggested the potential application of Cu3Si at nanoscale for future processing

  9. Gallium-droplet behaviors of self-catalyzed GaAs nanowires: A transmission electron microscopy study

    NASA Astrophysics Data System (ADS)

    Heon Kim, Young; Woo Park, Dong; Jun Lee, Sang

    2012-01-01

    When the arsenic (As) precursor was supplied during cool down, the gallium (Ga) droplets on top of GaAs nanowires (NWs) were extinct on the final products. The Ga droplets were conserved, and their behaviors depended on the size of the NWs when the As supply was cut off during the cooling: The contact angles of the droplets on the NWs with diameters larger than 60 nm were fixed to approximately 113°. However, they were decreased and fluctuated on the NWs less than 60 nm in diameter. Finally, the NWs less than 46 nm were free from the Ga droplet.

  10. Measurements of threshold behavior for one- and two-electron photodetachment from the H/sup -/ ion

    SciTech Connect

    Frost, C.A.

    1981-09-01

    One and two-electron photodetachment from the H/sup -/ ion by a single photon has been studied using a crossed beam apparatus. A Q-switched laser beam was directed across the 800 MeV H/sup -/ beam at LAMPF (..beta..=0.842) resulting in Doppler-shifted photon energies in the H/sup -/ barycentric frame, which were tunable from 0.4 eV to 15.5 eV by changing the intersection angle. The particles (e/sup -/, H/sup 0/, H/sup +/) resulting from photodetachment reactions were magnetically deflected into scintillation detectors allowing the total and partial cross sections for 1e/sup -/ and 2e/sup -/ processes to be separately measured. The 2e/sup -/ signal (H/sup +/) was produced by two different mechanisms, the true signal ..gamma.. + H/sup -/ ..-->.. H/sup +/ + 2e/sup -/ and the background process ..gamma.. + H/sup -/ ..-->.. H/sup 0/(n), followed by motional electric field ionization of excited H/sup 0/. Two-electron photodetachment which had been predicted theoretically was observed for the first time, and the relative cross section was measured from threshold to 15.5 eV.

  11. In situ electron microscopy studies of electromechanical behavior in metals at the nanoscale using a novel microdevice-based system.

    PubMed

    Kang, Wonmo; Beniam, Iyoel; Qidwai, Siddiq M

    2016-09-01

    Electrically assisted deformation (EAD) is an emerging technique to enhance formability of metals by applying an electric current through them. Despite its increasing importance in manufacturing applications, there is still an unresolved debate on the nature of the fundamental deformation mechanisms underlying EAD, mainly between electroplasticity (non-thermal effects) and resistive heating (thermal effects). This status is due to two critical challenges: (1) a lack of experimental techniques to directly observe fundamental mechanisms of material deformation during EAD, and (2) intrinsic coupling between electric current and Joule heating giving rise to unwanted thermally activated mechanisms. To overcome these challenges, we have developed a microdevice-based electromechanical testing system (MEMTS) to characterize nanoscale metal specimens in transmission electron microscopy (TEM). Our studies reveal that MEMTS eliminates the effect of Joule heating on material deformation, a critical advantage over macroscopic experiments, owing to its unique scale. For example, a negligible change in temperature (<0.02 °C) is predicted at ∼3500 A/mm(2). Utilizing the attractive features of MEMTS, we have directly investigated potential electron-dislocation interactions in single crystal copper (SCC) specimens that are simultaneously subjected to uniaxial loading and electric current density up to 5000 A/mm(2). Our in situ TEM studies indicate that for SCC, electroplasticity does not play a key role as no differences in dislocation activities, such as depinning and movement, are observed.

  12. In situ electron microscopy studies of electromechanical behavior in metals at the nanoscale using a novel microdevice-based system

    NASA Astrophysics Data System (ADS)

    Kang, Wonmo; Beniam, Iyoel; Qidwai, Siddiq M.

    2016-09-01

    Electrically assisted deformation (EAD) is an emerging technique to enhance formability of metals by applying an electric current through them. Despite its increasing importance in manufacturing applications, there is still an unresolved debate on the nature of the fundamental deformation mechanisms underlying EAD, mainly between electroplasticity (non-thermal effects) and resistive heating (thermal effects). This status is due to two critical challenges: (1) a lack of experimental techniques to directly observe fundamental mechanisms of material deformation during EAD, and (2) intrinsic coupling between electric current and Joule heating giving rise to unwanted thermally activated mechanisms. To overcome these challenges, we have developed a microdevice-based electromechanical testing system (MEMTS) to characterize nanoscale metal specimens in transmission electron microscopy (TEM). Our studies reveal that MEMTS eliminates the effect of Joule heating on material deformation, a critical advantage over macroscopic experiments, owing to its unique scale. For example, a negligible change in temperature (<0.02 °C) is predicted at ˜3500 A/mm2. Utilizing the attractive features of MEMTS, we have directly investigated potential electron-dislocation interactions in single crystal copper (SCC) specimens that are simultaneously subjected to uniaxial loading and electric current density up to 5000 A/mm2. Our in situ TEM studies indicate that for SCC, electroplasticity does not play a key role as no differences in dislocation activities, such as depinning and movement, are observed.

  13. Disposition of the Dietary Mutagen 2-Amino-3,8-dimethylimidazo[4,5- f ]quinoxaline in Healthy and Pancreatic Cancer Compromised Humans

    DOE PAGES

    Malfatti, Michael A.; Kuhn, Edward A.; Turteltaub, Kenneth W.; ...

    2016-02-26

    Pancreatic cancer is the fourth leading cause of cancer death in the U.S. Once diagnosed, prognosis is poor with a 5-year survival rate of less than 5%. Exposure to carcinogenic heterocyclic amines (HCAs) derived from cooked meat has been shown to be positively associated with pancreatic cancer risk. To evaluate the processes that determines the carcinogenic potential of HCAs for human pancreas, 14-carbon labeled 2-amino-3,8-dimethylimidazo[4,5-f]quinoxaline (MeIQx), a putative human carcinogenic HCA found in well-done cooked meat, was administered at a dietary relevant dose to human volunteers diagnosed with pancreatic cancer undergoing partial pancreatectomy and healthy control volunteers. After 14C-MeIQx exposure,more » blood and urine was collected for pharmacokinetic and metabolite analysis. MeIQx-DNA adducts levels were quantified by accelerator mass spectrometry from pancreatic tissue excised during surgery from the cancer patient group. Pharmacokinetic analysis of plasma revealed a rapid distribution of MeIQx with a plasma elimination half-life of approximately 3.5 hr in 50% of the cancer patients and all of the control volunteers. In 2 of the 4 cancer patients very low levels of MeIQx were detected in plasma and urine suggesting low absorption from the gut into the plasma. Urinary metabolite analysis revealed five MeIQx metabolites with 2-amino-3-methylimidazo[4,5-f]quinoxaline-8-carboxylic acid being the most abundant accounting for 25%–50% of the recovered 14-carbon/ml urine. We found there was no discernable difference in metabolite levels between the cancer patient volunteers and the control group. MeIQx-DNA adduct analysis of pancreas and duodenum tissue revealed adduct levels indistinguishable from background levels. Lastly, although other meat-derived HCA mutagens have been shown to bind DNA in pancreatic tissue, indicating that exposure to HCAs from cooked meat cannot be discounted as a risk factor for pancreatic cancer, the results from this

  14. Photoacid behavior versus proton-coupled electron transfer in phenol-Ru(bpy)3(2+) dyads.

    PubMed

    Kuss-Petermann, Martin; Wenger, Oliver S

    2013-07-18

    Two dyads composed of a Ru(bpy)3(2+) (bpy = 2,2'-bipyridine) photosensitizer and a covalently attached phenol were synthesized and investigated. In the shorter dyad (Ru-PhOH) the ruthenium complex and the phenol are attached directly to each other whereas in the longer dyad there is a p-xylene (xy) spacer in between (Ru-xy-PhOH). Electrochemical investigations indicate that intramolecular electron transfer (ET) from phenol to the photoexcited metal complex is endergonic by more than 0.3 eV in both dyads, explaining the absence of any (3)MLCT (metal-to-ligand charge transfer) excited-state quenching by the phenols in pure CH3CN and CH2Cl2. When pyridine is added to a CH2Cl2 solution, significant excited-state quenching can be observed for both dyads, but the bimolecular quenching rate constants differ by 2 orders of magnitude between Ru-PhOH and Ru-xy-PhOH. Transient absorption spectroscopy shows that in the presence of pyridine both dyads react to photoproducts containing Ru(II) and phenolate. The activation energies associated with the photoreactions in the two dyads differ by 1 order of magnitude, and this might suggest that the formation of identical photoproducts proceeds through fundamentally different reaction pathways in Ru-PhOH and Ru-xy-PhOH. For Ru-PhOH direct proton release from the photoexcited dyad is a plausible reaction pathway. For Ru-xy-PhOH a sequence of a photoinduced proton-coupled electron transfer (PCET) followed by an intramolecular (thermal) electron transfer in the reverse direction is a plausible reaction pathway; this two-step process involves a reaction intermediate containing Ru(I) and phenoxyl radical that reacts very rapidly to Ru(II) and phenolate. Thermal back-reactions to restore the initial starting materials occur on a 30-50 μs time scale in both dyads; i.e., due to proton release the photoproducts are very long-lived. These back-reactions exhibit inverse H/D kinetic isotope effects of 0.7 ± 0.1 (Ru-PhOH) and 0.6 ± 0.1 (Ru

  15. Statistical behavior of the longitudinal variations of daytime electron density in the topside ionosphere at middle latitudes

    NASA Astrophysics Data System (ADS)

    Su, Fanfan; Wang, Wenbin; Burns, Alan G.; Yue, Xinan; Zhu, Fuying; Lin, Jian

    2016-11-01

    Electron density in the topside ionosphere has significant variations with latitude, longitude, altitude, local time, season, and solar cycle. This paper focuses on the global and seasonal features of longitudinal structures of daytime topside electron density (Ne) at middle latitudes and their possible causes. We used in situ Ne measured by DEMETER and F2 layer peak height (hmF2) and peak density (NmF2) from COSMIC. The longitudinal variations of the daytime topside Ne show a wave number 2-type structure in the Northern Hemisphere, whereas those in the Southern Hemisphere are dominated by a wave number 1 structure and are much larger than those in the Northern Hemisphere. The patterns around December solstice (DS) in the Northern Hemisphere (winter) are different from other seasons, whereas the patterns in the Southern Hemisphere are similar in each season. Around March equinox (ME), June solstice (JS), and September equinox (SE) in the Northern Hemisphere and around ME, SE, and DS in the Southern Hemisphere, the longitudinal variations of topside Ne have similar patterns to hmF2. Around JS in the Southern Hemisphere (winter), the topside Ne has similar patterns to NmF2 and hmF2 does not change much with longitude. Thus, the topside variations may be explained intuitively in terms of hmF2 and NmF2. This approach works reasonably well in most of the situations except in the northern winter in the topside not too far from the F2 peak. In this sense, understanding variations in hmF2 and NmF2 becomes an important and relevant subject for this topside ionospheric study.

  16. Unusual magnetic behaviors and electronic configurations driven by diverse Co(II) or Mn(II) MOF architectures.

    PubMed

    Bernini, María Celeste; Romero de Paz, Julio; Snejko, Natalia; Sáez-Puche, Regino; Gutierrez-Puebla, Enrique; Monge, María Ángeles

    2014-12-15

    Five novel metal organic frameworks were obtained by hydro-solvothermal reactions using the hexafluorisopropylidenebis(benzoic) acid (H2hfipbb) as linker and Co(II) or Mn(II) ions as connectors. [Co2(Hhfipbb)(TEA)], compound 1 (TEA = triethanolamine trianion) with a three-dimensional (3D) framework, and a tpu net; [Co1.5(hfipbb)2]·HN(CH2CH3)3 and [Co3(hfipbb)2]·2{HN(CH2CH3)3}, compounds 2 and 2-a, respectively, both with two-dimensional structure, sql topologies, and different layer packings. Compounds 3 and 4, having the general formula [M2(hfipbb)2]·C7H8, where M = Co (3) or Mn (4), have 3D frameworks with an sqc topology. A deep analysis of the magnetic measurements reveals different striking magnetic behaviors resulting from diverse secondary building unit and framework architectures. Compound 1 presents canted antiferromagnetic chains, compound 2 contains ferromagnetic linear trimeric clusters, and compound 3 exhibits ferromagnetic chains. For the three compounds, a 3D canted antiferromagnetic structure takes place at ∼8 K by means of weak magnetic interactions between the mentioned magnetic units. Such long-range magnetic order is precluded with the application of a high enough magnetic field. Compound 4 evidenced intrachain antiferromagnetic interactions.

  17. Correction of the near threshold behavior of electron collisional excitation cross-sections in the plane-wave Born approximation

    NASA Astrophysics Data System (ADS)

    Kilcrease, D. P.; Brookes, S.

    2013-12-01

    The modeling of NLTE plasmas requires the solution of population rate equations to determine the populations of the various atomic levels relevant to a particular problem. The equations require many cross sections for excitation, de-excitation, ionization and recombination. A simple and computational fast way to calculate electron collisional excitation cross-sections for ions is by using the plane-wave Born approximation. This is essentially a high-energy approximation and the cross section suffers from the unphysical problem of going to zero near threshold. Various remedies for this problem have been employed with varying degrees of success. We present a correction procedure for the Born cross-sections that employs the Elwert-Sommerfeld factor to correct for the use of plane waves instead of Coulomb waves in an attempt to produce a cross-section similar to that from using the more time consuming Coulomb Born approximation. We compare this new approximation with other, often employed correction procedures. We also look at some further modifications to our Born Elwert procedure and its combination with Y.K. Kim's correction of the Coulomb Born approximation for singly charged ions that more accurately approximate convergent close coupling calculations.

  18. Correction of the near threshold behavior of electron collisional excitation cross-sections in the plane-wave Born approximation

    DOE PAGES

    Kilcrease, D. P.; Brookes, S.

    2013-08-19

    The modeling of NLTE plasmas requires the solution of population rate equations to determine the populations of the various atomic levels relevant to a particular problem. The equations require many cross sections for excitation, de-excitation, ionization and recombination. Additionally, a simple and computational fast way to calculate electron collisional excitation cross-sections for ions is by using the plane-wave Born approximation. This is essentially a high-energy approximation and the cross section suffers from the unphysical problem of going to zero near threshold. Various remedies for this problem have been employed with varying degrees of success. We present a correction procedure formore » the Born cross-sections that employs the Elwert–Sommerfeld factor to correct for the use of plane waves instead of Coulomb waves in an attempt to produce a cross-section similar to that from using the more time consuming Coulomb Born approximation. We compare this new approximation with other, often employed correction procedures. Furthermore, we also look at some further modifications to our Born Elwert procedure and its combination with Y.K. Kim's correction of the Coulomb Born approximation for singly charged ions that more accurately approximate convergent close coupling calculations.« less

  19. Molecular orientation, thermal behavior and density of electron and hole transport layers and the implication on device performance for OLEDs

    NASA Astrophysics Data System (ADS)

    Kearns, Kenneth L.; Na, Hong-Yeop; Froese, Robert D.; Mukhopadhyay, Sukrit; Woodward, Hunter; Welsh, Dean; De Vries, Timothy; Devore, David; Trefonas, Peter; Hong, Liang

    2014-10-01

    Recent progress has shown that molecular orientation in vapor-deposited glasses can affect device performance. The deposition process can result in films where the molecular axis of the glass material is preferentially ordered to lie parallel to the plane of the substrate. Here, materials made within Dow's Electronic Materials business showed enhanced performance when the orientation of the molecules, as measured by variable angle spectroscopic ellipsometry, was oriented in a more parallel fashion as compared to other materials. For one material, the anisotropic packing was observed in the as-deposited glass and was isotropic for solution-cast and annealed films. In addition, the density of an as-deposited N,N'-bis(naphthalene-1-yl)-N,N'-bis(phenyl)-2,2'-dimethylbenzidine (NPD) film was 0.8% greater than what was realized from slowly cooling the supercooled liquid. This enhanced density indicated that vapor-deposited molecules were packing more closely in addition to being anisotropic. Finally, upon heating the NPD film into the supercooled liquid state, both the density and anisotropic packing of the as-deposited glass was lost.

  20. Thermal Cycling Behavior of Thermal Barrier Coatings with MCrAlY Bond Coat Irradiated by High-Current Pulsed Electron Beam.

    PubMed

    Cai, Jie; Lv, Peng; Guan, Qingfeng; Xu, Xiaojing; Lu, Jinzhong; Wang, Zhiping; Han, Zhiyong

    2016-11-30

    Microstructural modifications of a thermally sprayed MCrAlY bond coat subjected to high-current pulsed electron beam (HCPEB) and their relationships with thermal cycling behavior of thermal barrier coatings (TBCs) were investigated. Microstructural observations revealed that the rough surface of air plasma spraying (APS) samples was significantly remelted and replaced by many interconnected bulged nodules after HCPEB irradiation. Meanwhile, the parallel columnar grains with growth direction perpendicular to the coating surface were observed inside these bulged nodules. Substantial Y-rich Al2O3 bubbles and varieties of nanocrystallines were distributed evenly on the top of the modified layer. A physical model was proposed to describe the evaporation-condensation mechanism taking place at the irradiated surface for generating such surface morphologies. The results of thermal cycling test showed that HCPEB-TBCs presented higher thermal cycling resistance, the spalling area of which after 200 cycles accounted for only 1% of its total area, while it was about 34% for APS-TBCs. The resulting failure mode, i.e., in particular, a mixed delamination crack path, was shown and discussed. The irradiated effects including compact remelted surface, abundant nanoparticles, refined columnar grains, Y-rich alumina bubbles, and deformation structures contributed to the formation of a stable, continuous, slow-growing, and uniform thermally grown oxide with strong adherent ability. It appeared to be responsible for releasing stress and changing the cracking paths, and ultimately greatly improving the thermal cycling behavior of HCPEB-TBCs.

  1. Microstructural investigation of the oxidation behavior of Cu in Ag-coated Cu films using a focused ion beam transmission electron microscopy technique

    NASA Astrophysics Data System (ADS)

    Kim, Ji Hwan; Lee, Jong-Hyun

    2016-06-01

    With the aim of elucidating a detailed mechanism for the oxidation behavior in submicron Cu particles coated with a thin Ag layer, the dewetting of Ag and the oxidation behavior of Cu in Ag-coated Cu films upon heating were investigated with a focused ion beam transmission electron microscopy technique. A slight dewetting of the Ag layer began at approximately 200 °C and aggregates of Cu2O particles were formed on the Ag layer, indicating that the initial Cu2O phase was formed on the thin Ag layer. Voids were formed in the Cu layer because of Cu atoms diffusing through the thin Ag layer to be oxidized in the upper Cu2O aggregates. After being heated to 250 °C, the Ag layer became more irregular, and in some regions, it disappeared because of intensive dewetting. The number and average size of the voids also increased. At 300 °C, a hollow structure with a Cu2O shell was formed. Pillar-like structures of unoxidized Cu and large voids were found under the Cu2O layer.

  2. Memristive Behavior in Electrohydrodynamic Atomized Layers of Poly[2-methoxy-5-(2'-ethylhexyloxy)--(p-phenylenevinylene)] for Next Generation Printed Electronics

    NASA Astrophysics Data System (ADS)

    Awais, Muhammad Naeem; Choi, Kyung Hyun

    2013-05-01

    Poly[2-methoxy-5-(2'-ethylhexyloxy)--(p-phenylenevinylene)] (MEH:PPV) based organic memristor (memory resistor) has been fabricated on the indium--tin oxide (ITO) coated poly(ethylene terepthalate) (PET) substrate by the electrohydrodynamic atomization (EHDA) technique. Thin jet containing MEH:PPV polymer was generated through a capillary under electrical stresses. The jet was broken into small droplets by adjusting the distance from nozzle to substrate and collected over the substrate under normal room conditions, consequently a high quality layer of MEH:PPV was achieved with an average thickness of 168 nm. The layer was morphologically characterized by a field emission scanning electron microscope (FESEM) analysis. X-ray photoelectron spectroscope (XPS) analysis was also carried out to confirm the chemistry of the deposited material. Electrically, ITO/MEH:PPV/Ag fabricated memristor was found to be switchable between high state and low state between ± 4 V. The research work provides the memristive behavior in electrohydrodynamic atomized layers of MEH:PPV to be used for the next generation printed electronics application.

  3. Memristive Behavior in Electrohydrodynamic Atomized Layers of Poly[2-methoxy-5-(2'-ethylhexyloxy)-(p-phenylenevinylene)] for Next Generation Printed Electronics

    NASA Astrophysics Data System (ADS)

    Naeem Awais, Muhammad; Choi, Kyung Hyun

    2013-05-01

    Poly[2-methoxy-5-(2'-ethylhexyloxy)-(p-phenylenevinylene)] (MEH:PPV) based organic memristor (memory resistor) has been fabricated on the indium-tin oxide (ITO) coated poly(ethylene terepthalate) (PET) substrate by the electrohydrodynamic atomization (EHDA) technique. Thin jet containing MEH:PPV polymer was generated through a capillary under electrical stresses. The jet was broken into small droplets by adjusting the distance from nozzle to substrate and collected over the substrate under normal room conditions, consequently a high quality layer of MEH:PPV was achieved with an average thickness of 168 nm. The layer was morphologically characterized by a field emission scanning electron microscope (FESEM) analysis. X-ray photoelectron spectroscope (XPS) analysis was also carried out to confirm the chemistry of the deposited material. Electrically, ITO/MEH:PPV/Ag fabricated memristor was found to be switchable between high state and low state between +/-4 V. The research work provides the memristive behavior in electrohydrodynamic atomized layers of MEH:PPV to be used for the next generation printed electronics application.

  4. Photoinduced electron-transfer reactions of 2(3H)-furanones and bis(benzofuranones). Spectral and kinetic behavior of radicals and radical cations

    SciTech Connect

    Davis, H.F.; Lohray, B.B.; Gopidas, K.R.; Kumar, C.V.; Das, P.K.; George, M.V.

    1985-10-04

    The spectral and kinetic behaviors of radical cations produced under efficient electron-transfer quenching of 1,4-dicyanonaphthalene or 9,10-dicyanoanthracene singlet by a number of 2(3H)-furanones and bis(benzo-furanones) have been examined by nanosecond laser flash photolysis (337.1 and 425 nm). The efficiencies of net electron transfer in the course of quenching processes are moderately high (0.2-0.6) in acetonitrile. The radical cations from bis(benzofuranones) several 2(3H)-furanones containing a benzyl group at the 3-position undergo fragmentation to benzofuranoxy and furanoxy radicals (+ benzyl or benzofuranoyl carbocations) with rate constants of 0.3 x 10W s . The long-lived furanoxy radicals, independently generated via hydrogen abstraction by tert-butoxy radicals from 2(5H)-furanones and 3-phenyl-2(3H)-benzofuranone, as well as via direct photolysis of 3-benzoyl-3,5-diphenyl-2(3H)-furanone, are characterized by sharply structured absorption spectra and relatively slow second-order decay kinetics (6-8 x 10Y M s in 1:2 benzene-di-tert butyl peroxide, v/v). 28 references, 7 figures, 3 tables.

  5. Spin-Glass Behavior in LaFexCo2-xP2 Solid Solutions: Interplay Between Magnetic Properties and Crystal and Electronic Structures

    SciTech Connect

    Kovnir, Kirill; Garlea, Vasile O; Thompson, Corey; Zhou, Haidong; Reiff, William; Ozarowski, Andrew; Shatruk, Michael

    2011-01-01

    To explore the evolution of magnetic properties from ferromagnetic LaCo2P2 to paramagnetic LaFe2P2 (both of ThCr2Si2 structure type) a series of mixed composition LaFexCo2-xP2 (x e 0.5) has been comprehensively investigated by means of single-crystal and powder X-ray and neutron diffraction, magnetization and heat capacity measurements, M ossbauer spectroscopy, and electronic band structure calculations. The Curie temperature decreases from 132 K in LaCo2P2 to 91 K in LaFe0.05Co1.95P2. The ferromagnetic ordering is suppressed at higher Fe content. LaFe0.1Co1.9P2 and LaFe0.2Co1.8P2 demonstrate spin-glass-like behavior, which was also confirmed by the absence of characteristic features of long-range magnetic ordering, namely, a -type anomaly in the heat capacity, a hyperfine splitting in the Mossbauer spectrum, and magnetic reflections in the neutron diffraction pattern. Finally, both LaFe0.3Co1.7P2 and LaFe0.5Co1.5P2 exhibit paramagnetic behavior down to 1.8 K. The unit cell parameters of the mixed compounds do not follow the Vegard behavior as the increase in the Fe content results in the decrease of average M-M distances (M = Fe, Co). Quantum-chemical calculations and crystal orbital Hamiltonian population analysis reveal that upon aliovalent (nonisoelectronic) substitution of Fe for Co the antibonding character of M-M interactions is reduced while the Fermi level is shifted below the DOS peak in the 3d metal subband. As the result, at higher Fe content the Stoner criterion is not satisfied and no magnetic ordering is observed.

  6. Spin-glass behavior in LaFe(x)Co(2-x)P2 solid solutions: interplay between magnetic properties and crystal and electronic structures.

    PubMed

    Kovnir, Kirill; Garlea, V Ovidiu; Thompson, Corey M; Zhou, H D; Reiff, William M; Ozarowski, Andrew; Shatruk, Michael

    2011-10-17

    To explore the evolution of magnetic properties from ferromagnetic LaCo(2)P(2) to paramagnetic LaFe(2)P(2) (both of ThCr(2)Si(2) structure type) a series of mixed composition LaFe(x)Co(2-x)P(2) (x ≤ 0.5) has been comprehensively investigated by means of single-crystal and powder X-ray and neutron diffraction, magnetization and heat capacity measurements, Mössbauer spectroscopy, and electronic band structure calculations. The Curie temperature decreases from 132 K in LaCo(2)P(2) to 91 K in LaFe(0.05)Co(1.95)P(2). The ferromagnetic ordering is suppressed at higher Fe content. LaFe(0.1)Co(1.9)P(2) and LaFe(0.2)Co(1.8)P(2) demonstrate spin-glass-like behavior, which was also confirmed by the absence of characteristic features of long-range magnetic ordering, namely, a λ-type anomaly in the heat capacity, a hyperfine splitting in the Mössbauer spectrum, and magnetic reflections in the neutron diffraction pattern. Finally, both LaFe(0.3)Co(1.7)P(2) and LaFe(0.5)Co(1.5)P(2) exhibit paramagnetic behavior down to 1.8 K. The unit cell parameters of the mixed compounds do not follow the Vegard behavior as the increase in the Fe content results in the decrease of average M-M distances (M = Fe, Co). Quantum-chemical calculations and crystal orbital Hamiltonian population analysis reveal that upon aliovalent (nonisoelectronic) substitution of Fe for Co the antibonding character of M-M interactions is reduced while the Fermi level is shifted below the DOS peak in the 3d metal subband. As the result, at higher Fe content the Stoner criterion is not satisfied and no magnetic ordering is observed.

  7. 2-Amino-3-methylimidazo[4,5-f]quinoline (IQ) promotes mouse hepatocarcinogenesis by activating transforming growth factor-β and Wnt/β-catenin signaling pathways.

    PubMed

    Xie, Xiao-Li; Wei, Min; Kakehashi, Anna; Yamano, Shotaro; Tajiri, Masaki; Wanibuchi, Hideki

    2012-02-01

    The purposes of the present study were to investigate the modifying effects of 2-amino-3-methylimidazo[4,5-f]quinoline (IQ), a genotoxic carcinogen produced during cooking of protein-rich foods, and elucidate underlying mechanisms in a two-stage hepatocarcinogenesis mice model. Six-week-old B6C3F1 mice were subjected to two-thirds partial hepatectomy at the beginning of the study, followed by an intraperitoneal injection of diethylnitrosamine on day 1. Starting 1 week later, they were fed diets containing IQ at doses of 30, 100, or 300 ppm for 39 weeks. A dose-dependent trend for increase in eosinophilic altered foci as well as eosinophilic hepatocellular adenomas was observed, along with significant elevation in the incidence of hepatocellular carcinomas in the 100- and 300-ppm IQ groups as compared with initiation control group. Furthermore, IQ elevated the protein expression levels of Wnt1, transforming growth factor-β (TGF-β), TGF-β receptors 1 and 2 (TβR1 and TβR2), and phosphorylated c-Jun (p-c-Jun), while suppressing those of E-cadherin and p21(WAF1/Cip1). Moreover, translocation of β-catenin to the nuclei as well as upregulated nuclear expression of c-Myc and cyclin D1, which are downstream targets of β-catenin and p-c-Jun, were detected at 100 and 300 ppm. These findings suggest that IQ exerts dose-dependent promoting effects on mice hepatocarcinogenesis by activating TGF-β and Wnt/β-catenin signaling pathways and inhibiting cell adhesion.

  8. Brillouin light scattering investigation of the thickness dependence of Dzyaloshinskii-Moriya interaction in C o0.5F e0.5 ultrathin films

    NASA Astrophysics Data System (ADS)

    Belmeguenai, M.; Gabor, M. S.; Roussigné, Y.; Stashkevich, A.; Chérif, S. M.; Zighem, F.; Tiusan, C.

    2016-05-01

    C o0.5F e0.5 (CoFe) ultrathin films of various thicknesses (0.8 nm ≤tCoFe≤1.6 nm ) have been grown by sputtering on (001) MgO single crystal or Si/SiO2 substrates, using Pt as capping or buffer layers, respectively. The x-ray diffraction revealed an in-plane epitaxial (isotropic) growth of Pt on MgO (Si). Their magnetic properties have been studied by vibrating sample magnetometry and Brillouin light scattering (BLS) in the Damon-Eshbach geometry. Vibrating sample magnetometry characterizations show that films grown on MgO are in-plane magnetized, while films deposited on Si are perpendicularly magnetized for CoFe thickness below 1.4 nm. The BLS measurements reveal a pronounced nonreciprocal spin waves propagation, which increases with decreasing CoFe thickness. This nonreciprocity was attributed to an interfacial Dzyaloshinskii-Moriya interaction (DMI) induced by Pt interface with CoFe. Moreover, the DMI sign has been found to depend on the stacks order: it is positive (negative) for CoFe/Pt (Pt/CoFe). The effective thickness dependence of the DMI effective constant shows two regimes due to the degradation of the interfaces as the CoFe thickness decreases. We thus show that the magnetic dead layer should be taken into account to precisely determine the surface DMI constant Ds. Therefore, for the thickest samples, the surface DMI constants are nearly opposite: -1.27 and 1.32 pJ m-1 for Pt/CoFe and its reversed system, respectively.

  9. Effect of 3-methylcholanthrene induction on the distribution and DNA adduction of 2-amino-3-methylimidazo[4,5-f]quinoline (IQ) in F344 rats.

    PubMed

    Snyderwine, E G; Nouso, K; Schut, H A

    1993-06-01

    3-Methylcholanthrene (3MC) is a potent inducer of the cytochrome P450IA family of enzymes that catalyses the metabolic activation of the food mutagen/carcinogen 2-amino-3-methylimidazo[4,5-f]quinoline (IQ). We have examined the effect of pretreatment with 3MC on the distribution and DNA adduct formation of IQ in male Fischer F344 rats. 3 hr after a single dose of [14C]IQ (10 mg/kg body weight, by gavage), the level of radioactivity in extrahepatic tissues was 30-70% less in 3MC-pretreated rats than in vehicle control rats. Although the level of radioactivity in the liver did not change after 3MC pretreatment, IQ-DNA adduct levels, measured by the 32P-postlabelling method, were 60% lower in the livers of 3MC-pretreated rats than those of control rats, and 83-97% lower in extrahepatic tissues such as the kidneys, colon, small intestine, bladder, heart and lung. IQ-DNA adducts in the testes and brain were found in control rats but were not detected in 3MC-pretreated rats. The rate of removal of IQ-DNA adducts from the livers of control and 3MC-pretreated animals was the same from 3 to 48 hr. At 48 hr, the adduct level in 3MC-pretreated rats remained lower than that seen in the control rats. The data suggest that 3MC induction of the P450IA family of cytochromes in vivo results in an increased rate of IQ detoxification.

  10. Organ-dependent susceptibility of p53 knockout mice to 2-amino-3-methylimidazo[4,5-f]quinoline (IQ).

    PubMed

    Hirata, Akihiro; Tsukamoto, Tetsuya; Yamamoto, Masami; Takasu, Shinji; Sakai, Hiroki; Ban, Hisayo; Yanai, Tokuma; Masegi, Toshiaki; Donehower, Lawrence A; Tatematsu, Masae

    2007-08-01

    p53 knockout mice are now being frequently used to identify the carcinogenic potential of chemicals, thus it is important to precisely assess the susceptibility of the animals to various test chemicals. In the present study the susceptibility of p53 nullizygous((-/-)), heterozygous((+/-)), and wild-type((+/+)) mice to 2-amino-3-methylimidazo[4,5-f]quinoline (IQ) was investigated. Mice of all three genotypes were first fed a diet containing 100 or 300 p.p.m. IQ for 15 weeks in a short-term experiment. p53((+/-)) and ((+/+)) mice were then treated with IQ for 40 weeks and maintained without further treatment for an additional 12 weeks in the long-term experiment. In the forestomach, the incidence of squamous cell hyperplasia was significantly higher in p53((-/-)) than in ((+/-)) and ((+/+)) mice at 15 weeks and higher in ((+/-)) mice than ((+/+)) mice with long-term IQ treatment, indicating an elevated susceptibility of p53 knockout mice. In contrast, in the liver, various hepatocellular lesions developed mainly in female mice with long-term IQ exposure but no significant differences were evident between p53 knockout and wild-type mice, indicating a lack of elevated susceptibility in the knockout animals. Furthermore, polymerase chain reaction-single strand conformation polymorphism and sequencing analysis revealed relatively high (13/30) and low (1/15) incidences of p53 mutations (exons 5-8) in squamous cell hyperplasia and hepatocellular tumors, respectively. These results clearly indicate that the susceptibility of p53 knockout mice is organ-dependent, coinciding to some extent with the likelihood of p53 gene alteration in the induced tumors.

  11. Mutagenic specificity of the food mutagen 2-amino-3-methylimidazo[4,5-f]quinoline in Escherichia coli using the yeast URA3 gene as a target.

    PubMed

    Broschard, T H; Lebrun-Garcia, A; Fuchs, R P

    1998-02-01

    2-Amino-3-methylimidazo[4,5-f]quinoline (IQ), a strong mutagen/carcinogen, belongs to a group of heterocyclic amines that are formed (ng/g amounts) during the cooking of protein containing food. The mutational specificity of IQ in Escherichia coli was determined in a forward mutation assay using the yeast URA3 gene as a target. The plasmid pTU-AC, containing the target URA3, was randomly modified in vitro using N-hydroxy-IQ, and subsequently transformed into an E. coli pyrF strain (DB6656). Mutant clones were directly selected by their ability to grow on medium containing 5-fluoro-orotic acid which is toxic to URA3+ clones and thereby selects for URA3- mutants. Single Strand Conformation Polymorphism (SSCP) was used to map the mutation-containing regions of URA3, so that it was necessary to sequence only the relevant, mutation-containing fragment and not the entire gene. At a modification level of 7 IQ-lesions/URA3 gene, the predominant mutations were base substitutions (approximately 70%), followed by complex gene rearrangements (approximately 20%) and frameshifts (approximately 10%). More than 96% of the base substitutions occurred at G:C base pairs and were predominantly G:C-->A:T transitions, followed by G:C-->T:A and G:C-->C:G transversions. Next neighbour analysis revealed that deoxyguanosines situated within the sequence 5'-TGC were more susceptible to mutations induced by IQ. With one exception, all frameshift mutations were -1 deletions at runs of three consecutive dGs. At higher IQ-modification levels, predominantly complex sequence rearrangements were observed.

  12. For staining of ALK protein, the novel D5F3 antibody demonstrates superior overall performance in terms of intensity and extent of staining in comparison to the currently used ALK1 antibody.

    PubMed

    Taheri, Diana; Zahavi, David J; Del Carmen Rodriguez, Maria; Meliti, Abdelrazak; Rezaee, Neda; Yonescu, Raluca; Ricardo, Bernardo F P; Dolatkhah, Shahaboddin; Ning, Yi; Bishop, Justin A; Netto, George J; Sharma, Rajni

    2016-09-01

    Inflammatory myofibroblastic tumor (IMT) is a rare neoplasm. Approximately 50 % of IMTs show an anaplastic lymphoma kinase (ALK) gene fusion resulting in ALK overexpression on immunohistochemistry (IHC). A novel anti-ALK monoclonal antibody (D5F3) has been suggested to be of superior sensitivity to the ALK1 antibody which is currently used. We compared the performance of D5F3 in detecting ALK protein expression in IMTs from various anatomic sites compared to the currently utilized ALK1. We selected 25 IMTs from our surgical pathology files (2005-2015). The novel rabbit monoclonal anti-human CD246 (clone D5F3) and the currently used mouse monoclonal anti-human CD246 (clone ALK1) were used for immunohistochemical staining (IHC) in an automated slide stainer. The percentage of immunoreactive tumor cells (0, <5 %, 5-50 %, >50 %) and cytoplasmic staining intensity (graded 0-3) were assessed and compared between the two antibodies. Fluorescence in situ hybridization (FISH) studies for ALK gene rearrangement were performed on 11 tumors. D5F3 antibody stained 76 % and ALK1 antibody stained 72 % of IMTs (p = 0.747). Compared to staining with ALK1, D5F3 stained a higher proportion of cases extensively (>50 % cells) (76 vs. 28 %, p < 0.001) and with high intensity (grade 3 76 % vs 0; p < 0.001). FISH and IHC findings (for both antibodies) were concordant in 9/10 (90 %) IMTs, in which results were informative. The novel anti-ALK rabbit monoclonal antibody (D5F3 clone) demonstrates superior overall performance in term of intensity and extent of staining of ALK protein in IMT. We found IHC staining with both antibody clones to correlate equally well with FISH results for detection of ALK rearrangement.

  13. Electronic structure and magnetic properties of dilute U impurities in metals

    NASA Astrophysics Data System (ADS)

    Mohanta, S. K.; Cottenier, S.; Mishra, S. N.

    2016-05-01

    The electronic structure and magnetic moment of dilute U impurity in metallic hosts have been calculated from first principles. The calculations have been performed within local density approximation of the density functional theory using Augmented plane wave+local orbital (APW+lo) technique, taking account of spin-orbit coupling and Coulomb correlation through LDA+U approach. We present here our results for the local density of states, magnetic moment and hyperfine field calculated for an isolated U impurity embedded in hosts with sp-, d- and f-type conduction electrons. The results of our systematic study provide a comprehensive insight on the pressure dependence of 5f local magnetism in metallic systems. The unpolarized local density of states (LDOS), analyzed within the frame work of Stoner model suggest the occurrence of local moment for U in sp-elements, noble metals and f-block hosts like La, Ce, Lu and Th. In contrast, U is predicted to be nonmagnetic in most transition metal hosts except in Sc, Ti, Y, Zr, and Hf consistent with the results obtained from spin polarized calculation. The spin and orbital magnetic moments of U computed within the frame of LDA+U formalism show a scaling behavior with lattice compression. We have also computed the spin and orbital hyperfine fields and a detail analysis has been carried out. The host dependent trends for the magnetic moment, hyperfine field and 5f occupation reflect pressure induced change of electronic structure with U valency changing from 3+ to 4+ under lattice compression. In addition, we have made a detailed analysis of the impurity induced host spin polarization suggesting qualitatively different roles of f-band electrons on moment stability. The results presented in this work would be helpful towards understanding magnetism and spin fluctuation in U based alloys.

  14. Deposition of Thin Film Copper Nanostructures by Electron Beam Physical Vapor Deposition Technique on SiO2/p-TYPE Si(100) and Study of its Oxidation Behavior

    NASA Astrophysics Data System (ADS)

    Yeganeh, M.; Saremi, M.

    Electron beam physical vapor deposition (EBPVD) is being used in coating components for many applications such as for producing nanostructures and integrated circuits (ICs) coating in electronic industry. In this work, copper was deposited on the SiO2/p-type Si(100). Thin film characteristics are investigated by scanning electron microscopy and X-ray diffraction (XRD). Then oxidation behavior of deposits was evaluated by Dektak Surface Profiler and weight gain method at 200 and 300°C. Results showed that thin film copper deposited by EBPVD has better oxidation characteristics in comparison with copper foil.

  15. Theoretical study of the elasticity, mechanical behavior, electronic structure, interatomic bonding, and dielectric function of an intergranular glassy film model in prismatic β-Si3N4

    NASA Astrophysics Data System (ADS)

    Ching, W. Y.; Rulis, Paul; Ouyang, Lizhi; Aryal, Sitaram; Misra, Anil.

    2010-06-01

    Microstructures such as intergranular glassy films (IGFs) are ubiquitous in many structural ceramics. They control many of the important physical properties of polycrystalline ceramics and can be influenced during processing to modify the performance of devices that contain them. In recent years, there has been intense research, both experimentally and computationally, on the structure and properties of IGFs. Unlike grain boundaries or dislocations with well-defined crystalline planes, the atomic scale structure of IGFs, their fundamental electronic interactions, and their bonding characteristics are far more complicated and not well known. In this paper, we present the results of theoretical simulations using ab initio methods on an IGF model in β-Si3N4 with prismatic crystalline planes. The 907-atom model has a dimension of 14.533Å×15.225Å×47.420Å . The IGF layer is perpendicular to the z axis, 16.4Å wide, and contains 72 Si, 32 N, and 124 O atoms. Based on this model, the mechanical and elastic properties, the electronic structure, the interatomic bonding, the localization of defective states, the distribution of electrostatic potential, and the optical dielectric function are evaluated and compared with crystalline β-Si3N4 . We have also performed a theoretical tensile experiment on this model by incrementally extending the structure in the direction perpendicular to the IGF plane until the model fully separated. It is shown that fracture occurs at a strain of 9.42% with a maximum stress of 13.9 GPa. The fractured segments show plastic behavior and the formation of surfacial films on the β-Si3N4 . These results are very different from those of a previously studied basal plane model [J. Chen , Phys. Rev. Lett. 95, 256103 (2005)10.1103/PhysRevLett.95.256103] and add insights to the structure and behavior of IGFs in polycrystalline ceramics. The implications of these results and the need for further investigations are discussed.

  16. Rigid rod-like dinuclear Ru(II)/Os(II) terpyridine-type complexes. Electrochemical behavior, absorption spectra, luminescence properties, and electronic energy transfer through phenylene bridges

    SciTech Connect

    Barigelletti, F.; Flamigni, L.; Balzani, V. ||

    1994-08-24

    The absorption spectra, the luminescence properties (at 293 and 77 K), and the electrochemical behavior of six dinuclear heterometallic compounds have been investigated. The compounds are made of Ru(tpy){sub 2}{sup 2+}- and Os(tpy){sub 2}{sup 2+}-type components (tpy = 2,2{prime}:6{prime},2 inches-terpyridine, which in some cases carries p-tolyl (Meph) or methylsulphone (MeO{sub 2}S) substituents in the 4{prime} position), connected by n phenylene (ph) spacers (n=0,1, and 2). In the resulting rigid rod-like structures of general formula (X{sub 1}tpy)Ru(tpy(ph){sub n}tpy)Os(tpyX{sub 2}){sup 4+} the metal-to-metal distance varies form 11 to 20 {Angstrom}. The absorption spectra of the two components are slightly perturbed in the dinuclear compounds, and metal-metal and ligand-ligand interactions are evidenced by the trends of the oxidation and reduction potentials. The luminescence of the Ru-based unit is quenched by the connected Os-based unit with practically unitary efficiency, regardless of the number of interposed phenylene spacers. Quenching is accompanied by quantitative sensitization of the Os-based luminescence. The rate of energy transfer at 293 K is larger than 10{sup 10} s{sup -1} in all cases. The Foerster (Coulombic) mechanism does not satisfactorily account for such a fast rate, particularly for the species with n=2. It is concluded that the observed energy-transfer processes take place most likely via a Dexter (electron exchange) mechanism. This is consistent with the strong electronic coupling of the Ru-based units in the compound with n=0, and with the relatively small insulating effect expected for the phenylene spacers. 37 refs., 7 figs., 3 tabs.

  17. Up-conversion routines of Er{sup 3+}–Yb{sup 3+} doped Y{sub 6}O{sub 5}F{sub 8} and YOF phosphors

    SciTech Connect

    Park, Sangmoon; Yang, Wonseok; Park, Chu-Young; Noh, Minhee; Choi, Seulki; Park, Dahye; Jang, Ho Seong; Cho, So-Hye

    2015-11-15

    Highlights: • Single-phase optical materials of Y{sub 6}O{sub 5}F{sub 8}:Er and YOF:Er were prepared. • Effective spectral converting properties were observed in Y{sub 6}O{sub 5}F{sub 8}:Er,Yb. • 980 nm diode laser was irradiated for up-converting analysis. • A multi-photon process in the phosphors was investigated. - Abstract: Optical materials composed of a Y{sub 6(1−p−q)}Er{sub 6p}Yb{sub 6q}O{sub 5}F{sub 8} (p = 0.001–0.1, q = 0.005–0.1) solid solution with Y{sub 0.99}Er{sub 0.01}OF were prepared via a solid-state reaction using excess NH{sub 4}F flux at 950 °C for 30 min. X-ray diffraction patterns of Y{sub 6(1−p−q)}Er{sub 6p}Yb{sub 6q}O{sub 5}F{sub 8} and Y{sub 0.99}Er{sub 0.01}OF were compared upon altering the synthesis temperature and the molar ratio of the NH{sub 4}F flux to the Y{sup 3+} (Er{sup 3+}, Yb{sup 3+}) ions. The effective spectral-conversion properties of Er{sup 3+} and Er{sup 3+}–Yb{sup 3+} ions in Y{sub 6}O{sub 5}F{sub 8} phosphors were monitored during excitation with a 980 nm wavelength diode-laser. Selection of appropriate Er{sup 3+} and/or Yb{sup 3+} concentrations in the Y{sub 6}O{sub 5}F{sub 8} structure led to achievement of the desired up-conversion emission, from the green to the red regions of the spectra. Furthermore, the mechanism of up-conversion in the phosphors was described by an energy-level schematic. Up-conversion emission spectra and the dependence of the emission intensity on pump power (between 193 and 310 mW) in the Y{sub 6(0.995−q)}Er{sub 0.03}Yb{sub 6q}O{sub 5}F{sub 8} phosphors were also investigated.

  18. Initial Oxidation Behavior in Air of TiAl-2Nb and TiAl-8Nb Alloys Produced by Electron Beam Melting

    NASA Astrophysics Data System (ADS)

    Terner, M.; Biamino, S.; Baudana, G.; Penna, A.; Fino, P.; Pavese, M.; Ugues, D.; Badini, C.

    2015-10-01

    Titanium aluminide alloys are good candidates for structural applications thanks to their low density and good balance of properties up to relatively high temperatures. However, their application is still limited by significant oxidation. Four γ-TiAl alloys with different content of aluminum and niobium were produced by electron beam melting: Ti-45Al-2Cr-2Nb, Ti-48Al-2Cr-2Nb, Ti-45Al-2Cr-8Nb, and Ti-46Al-2Cr-8Nb. The behavior of these alloys in response to oxidation in air during constant heating up to 1000 °C and isothermal oxidation for 10 h at 850 and 950 °C were studied by thermogravimetric analysis. The mass gain due to oxidation of the low Nb-containing alloys was always at least twice that of the high Nb-containing alloys. Both low and high Nb-containing alloys exhibited on their surface oxidation products of the same nature: oxides TiO2 and Al2O3, and nitrides TiN and Ti2AlN. Niobium addition up to 8 at.% did not suppress the growth of rutile and promote the formation of a protective alumina layer. However, it efficiently reduced the formation of rutile, mainly responsible for the mass gain due to oxidation of γ-TiAl alloys and with tendency to spallation.

  19. The influence of cell morphology on the compressive fatigue behavior of Ti-6Al-4V meshes fabricated by electron beam melting.

    PubMed

    Zhao, S; Li, S J; Hou, W T; Hao, Y L; Yang, R; Misra, R D K

    2016-06-01

    Additive manufacturing technique is a promising approach for fabricating cellular bone substitutes such as trabecular and cortical bones because of the ability to adjust process parameters to fabricate different shapes and inner structures. Considering the long term safe application in human body, the metallic cellular implants are expected to exhibit superior fatigue property. The objective of the study was to study the influence of cell shape on the compressive fatigue behavior of Ti-6Al-4V mesh arrays fabricated by electron beam melting. The results indicated that the underlying fatigue mechanism for the three kinds of meshes (cubic, G7 and rhombic dodecahedron) is the interaction of cyclic ratcheting and fatigue crack growth on the struts, which is closely related to cumulative effect of buckling and bending deformation of the strut. By increasing the buckling deformation on the struts through cell shape design, the cyclic ratcheting rate of the meshes during cyclic deformation was decreased and accordingly, the compressive fatigue strength was increased. With increasing bending deformation of struts, fatigue crack growth in struts contributed more to the fatigue damage of meshes. Rough surface and pores contained in the struts significantly deteriorated the compressive fatigue strength of the struts. By optimizing the buckling and bending deformation through cell shape design, Ti-6Al-4V alloy cellular solids with high fatigue strength and low modulus can be fabricated by the EBM technique.

  20. Assessment of in vivo behavior of polymer tube nerve grafts simultaneously with the peripheral nerve regeneration process using scanning electron microscopy technique.

    PubMed

    Szarek, Dariusz; Marycz, Krzysztof; Laska, Jadwiga; Bednarz, Paulina; Jarmundowicz, Włodzimierz

    2013-01-01

    In this study, scanning electron microscopy (SEM) has been applied for instantaneous assessment of processes occurring at the site of regenerating nerve. The technique proved to be especially useful when an artificial implant should have been observed but have not yet been extensively investigated before for assessment of nerve tissue. For in vivo studies, evaluation of implant's morphology and its neuroregenerative properties is of great importance when new prototype is developed. However, the usually applied histological techniques require separate and differently prepared samples, and therefore, the results are never a 100% comparable. In our research, we found SEM as a technique providing detailed data both on an implant behavior and the nerve regeneration process inside the implant. Observations were carried out during 12-week period on rat sciatic nerve injury model reconstructed with nerve autografts and different tube nerve grafts. Samples were analyzed with haematoxylin-eosin (HE), immunocytochemical staining for neurofillament and S-100 protein, SEM, TEM, and the results were compared. SEM studies enabled to obtain characteristic pictures of the regeneration process similarly to TEM and histological studies. Schwann cell transformation and communication as well as axonal outgrowth were identified, newly created and matured axons could be recognized. Concurrent analysis of biomaterial changes in the implant (degradation, collapsing of the tube wall, migration of alginate gel) was possible. This study provides the groundwork for further use of the described technique in the nerve regeneration studies.

  1. Transforming growth factor beta 1 prevents cytokine-mediated inhibitory effects and induction of nitric oxide synthase in the RINm5F insulin-containing beta-cell line.

    PubMed

    Mabley, J G; Cunningham, J M; John, N; Di Matteo, M A; Green, I C

    1997-12-01

    The aim of this study was to examine if the growth factor, transforming growth factor beta 1 (TGF beta 1), could prevent induction of nitric oxide synthase and cytokine-mediated inhibitory effects in the insulin-containing, clonal beta cell line RINm5F. Treatment of RINm5F cells for 24 h with interleukin-1 beta (IL-1 beta) (100 pM) induced expression of nitric oxide synthase and inhibited glyceraldehyde-stimulated insulin secretion. Combinations of IL-1 beta (100 pM), tumour necrosis factor-alpha (100 pM) and interferon-gamma (100 pM) reduced RINm5F cell viability (determined by the 3-(4,5-dimethylthiazolyl-2)-2,5-diphenyltetrazolium (MTT) reduction assay) and de novo protein synthesis, as measured by incorporation of radiolabelled amino acids into perchloric acid-precipitable protein. Pretreatment of RINm5F cells with TGF beta 1 (10 pM) for 18 or 24 h, prior to the addition of either IL-1 beta or combined cytokines, prevented cytokine-induced inhibition of insulin secretion, protein synthesis and the loss of cell viability. TGF beta 1 pretreatment inhibited cytokine-induced expression and activity of nitric oxide synthase in RINm5F cells as determined by Western blotting and by cytosolic conversion of radiolabelled arginine into labelled citrulline and nitric oxide. Chemically generated superoxide also induced expression of nitric oxide synthase possibly due to direct activation of the nuclear transcription factor NF kappa B, an effect prevented by both an antioxidant and TGF beta 1 pretreatment. In conclusion, the mechanism of action of TGF beta 1 in blocking cytokine inhibitory effects was by preventing induction of nitric oxide synthase.

  2. Emerging behavior in electronic bidding

    NASA Astrophysics Data System (ADS)

    Yang, I.; Jeong, H.; Kahng, B.; Barabási, A.-L.

    2003-07-01

    We characterize the statistical properties of a large number of agents on two major online auction sites. The measurements indicate that the total number of bids placed in a single category and the number of distinct auctions frequented by a given agent follow power-law distributions, implying that a few agents are responsible for a significant fraction of the total bidding activity on the online market. We find that these agents exert an unproportional influence on the final price of the auctioned items. This domination of online auctions by an unusually active minority may be a generic feature of all online mercantile processes.

  3. Calibrating thermal behavior of electronics

    DOEpatents

    Chainer, Timothy J.; Parida, Pritish R.; Schultz, Mark D.

    2017-01-03

    A method includes determining a relationship between indirect thermal data for a processor and a measured temperature associated with the processor, during a calibration process, obtaining the indirect thermal data for the processor during actual operation of the processor, and determining an actual significant temperature associated with the processor during the actual operation using the indirect thermal data for the processor during actual operation of the processor and the relationship.

  4. Calibrating thermal behavior of electronics

    DOEpatents

    Chainer, Timothy J.; Parida, Pritish R.; Schultz, Mark D.

    2016-05-31

    A method includes determining a relationship between indirect thermal data for a processor and a measured temperature associated with the processor, during a calibration process, obtaining the indirect thermal data for the processor during actual operation of the processor, and determining an actual significant temperature associated with the processor during the actual operation using the indirect thermal data for the processor during actual operation of the processor and the relationship.

  5. Electronic structure and Fermi surface of UNZ ( Z=Se and Te) by ab initio calculations

    NASA Astrophysics Data System (ADS)

    Samsel-Czekała, M.

    2010-05-01

    The electronic structures of ferromagnetic (FM) UNTe and its nonmagnetically ordered (NMO) isostructural (tetragonal P4/nmm ) and isoelectronic counterpart, UNSe, have been calculated from first principles in the framework of the fully relativistic and full-potential local-orbital band-structure code within local-spin density approximation (LSDA) including also an orbital polarization correction by Eriksson, Brooks, and Johansson (OPB). The results predict that both ternaries have a covalently metallic character and solely uranium atoms, located in (001) planes, form a metallic bond due to the U5f-6d electrons. The U5f electrons contribute also to a covalent bond with the ligand N and Te or Se atoms and they reveal a dual character, i.e., partly localized and itinerant. Contrary to UNSe, UNTe is a collinear FM with the magnetic moment alignment along the c axis, as observed experimentally in the past and now is well reproduced by the LSDA+OPB calculations. In NMO states of both systems, band pseudogaps are opening merely ˜0.25eV below the Fermi level, which cause an instability of the metallic state under small perturbations leading to a semiconducting behavior. The two-band Fermi surfaces (FSs) of both compounds (in NMO state) have similar quasi-two-dimensional (Q2D) properties with nesting vectors along the [100] direction. In turn, UNTe in the FM state possesses three-band FS with also Q2D properties and nesting features along the [100] and [110] directions, being important, e.g., in arising such collective phenomena as superconductivity.

  6. Sr{sub 4}Ru{sub 6}ClO{sub 18}, a new Ru{sup 4+/5+} oxy-chloride, solved by precession electron diffraction: Electric and magnetic behavior

    SciTech Connect

    Roussel, Pascal; Palatinus, Lukas; Belva, Frédéric; Daviero-Minaud, Sylvie; Mentre, Olivier; Huve, Marielle

    2014-04-01

    The crystal structure of Sr{sub 4}Ru{sub 6}ClO{sub 18}, a new Ru{sup 4+/5+} oxo-chloride, has been determined from Precession Electron Diffraction (PED) data acquired on a nanocrystal in a transmission electron microscope using the technique of electron diffraction tomography. This approach is described in details following a pedagogic route and a systematic comparison is made of this rather new method with other experimental methods of electron diffraction, and with the standard single crystal X-ray diffraction technique. Both transport and magnetic measurements, showed a transition at low temperature that may be correlated to Ru{sup 4+}/Ru{sup 5+} charge ordering. - Graphical abstract: Structure of Sr{sub 4}Ru{sub 6}ClO{sub 18}, determined using Precession Electron Diffraction data. - Highlights: • Structure of Sr{sub 4}Ru{sub 6}ClO{sub 18} was solved ab initio using precession electron diffraction. • This was done both on a nanometric sample and on a micrometric one. • Different type of experimental methods of electron diffraction are compared. • Single crystal X-ray diffraction was used to confirm the results. • Transport properties were characterized and show “exotic” behavior.

  7. Study of the 4p2, 5p2 and 5s5f excited configurations of the Zn and Cd isoelectronic sequences, using relativistic and non-relativistic semiempirical approaches

    NASA Astrophysics Data System (ADS)

    Di Rocco, Héctor O.; Raineri, Mónica; Reyna-Almandos, Jorge G.

    2016-11-01

    The consistency of the energy levels published for configurations 4p2, 5p2 and 5s5f belonging to Zn and Cd isoelectronic sequences is studied. Different semiempirical approaches considering the linearity of the Slater integrals for large Zc, the smoothness of the sF screening parameters, the energy values in terms of Z (or Zc), and the differences of the Ecalc - Eexp values are used, where Ecalc values are energies calculated with a Hartree-Hock method with relativistic corrections and superposition of configurations (HFR-SOC), and Eexp are the experimental values. For the np2 configurations both LS and relativistic jj expressions are considered. Configuration 5s5f is also analyzed taking into account the Landé's interval rule.

  8. Determination of in vitro- and in vivo-formed DNA adducts of 2-amino-3-methylimidazo[4,5-f]quinoline by capillary liquid chromatography/microelectrospray mass spectrometry.

    PubMed

    Gangl, E T; Turesky, R J; Vouros, P

    1999-10-01

    Capillary liquid chromatography/microelectrospray mass spectrometry has been applied to the detection of deoxyribonucleoside adducts of the food-derived mutagen 2-amino-3-methylimidazo[4,5-f]quinoline (IQ) from in vitro and in vivo sources. Constant neutral loss (CNL) and selective reaction monitoring (SRM) techniques with a triple-quadrupole mass spectrometer enabled sensitive and specific detection of IQ adducts in vitro and in animals. Detection of 1 adduct in 10(4) unmodified bases is achieved using CNL scanning detection, while the lower detection limits using SRM approach 1 adduct in 10(7) unmodified bases using 300 microg of DNA. The DNA adducts N-(deoxyguanosin-8-yl)-2-amino-3-methylimidazo[4, 5-f]quinoline (dG-C8-IQ) and 5-(deoxyguanosin-N(2)-yl)-2-amino-3-methylimidazo[4,5-f]quinoline (dG-N(2)-IQ) were detected in kidney tissues of chronically treated cynomolgus monkeys at levels and in proportions consistent with previously published (32)P-postlabeling data [Turesky, R. J., et al. (1996) Chem. Res. Toxicol. 9, 403-408]. Thus, capillary tandem LC/MS is a highly sensitive technique, which can be used to screen for DNA adducts in vivo.

  9. 5f delocalization-induced suppression of quadrupolar order in U(Pd1-xPtx)₃

    SciTech Connect

    Walker, H. C.; Le, M. D.; McEwen, K. A.; Bleckmann, M.; Süllow, S.; Mazzoli, C.; Wilkins, S. B.; Fort, D.

    2011-12-27

    We present bulk magnetic and transport measurements and x-ray resonant scattering measurements on U(Pd1-xPtx)₃ for x=0.005 and 0.01, which demonstrate the high sensitivity of the quadrupolar order in the canonical antiferroquadrupolar ordered system UPd₃ to doping with platinum. Bulk measurements for x=0.005 reveal behavior similar to that seen in UPd₃, albeit at a lower temperature, and x-ray resonant scattering provides evidence of quadrupolar order described by the Qxy order parameter. In contrast, bulk measurements reveal only an indistinct transition in x=0.01, consistent with the observation of short-range quadrupolar order in our x-ray resonant scattering results.

  10. Inhomogeneity of anodic oxide films of Al and Al alloys characterized by scanning electron microscopy observation and analysis of frequency response behavior

    NASA Astrophysics Data System (ADS)

    Ozawa, Kiyoshi; Majima, Teiji

    1999-02-01

    Inhomogeneity of anodic oxide films of pure Al, Al-0.42 at. % Ta, Al-1.1 at. % Ta, Al-0.5 at. % Ti, and Al-1.0 wt % Si formed in various electrolyte solutions has been investigated. Scanning electron microscopy observation of their cross sections revealed their structural inhomogeneity: they consist of an inner layer element with a smooth texture and an outer layer element distinguished by its textural properties such as roughness and macroscopic voids. An imaginary part of the impedance for those oxides revealed their electrical inhomogeneity: their impedance spectra were fitted by the summation of characteristic Debye functions, PC, PV1, and PV2, in the frequency regime where direct current conduction predominated. This indicates that three differing processes of charge transport coexist. Only PC which had the shortest conductivity relaxation time was manifested for the oxide, where a smooth texture was observed. PV1 which had the second shortest relaxation time was predominantly manifested for the oxide, where a rough texture indicating the existence of minute voids was observed. PV2 which had the longest relaxation time was predominantly manifested for the oxide, where macroscopic voids were observed. Based on the close correlation between the texture and the impedance spectra, PC, PV1, and PV2 were attributed to the traps induced at the microvoids, minute voids, and macroscopic voids. The temperature dependence of the conductivities, as derived from the Debye peaks, showed that oxides had a well-defined trap level 2.0±0.2 eV below the conduction band edge. The trap density was least for the oxide with a smooth texture and it was higher by more than an order of magnitude for the oxide with a rough texture. As regards the anodization behavior, it was shown that the oxidizing reactants migrating toward the matrix metal was OH- and that the reaction to produce H2 near the oxide-matrix metal interface was suppressed by the predominant reaction to form an Si-H bond

  11. Low-Altitude Distribution of Radiation Belt Electrons

    DTIC Science & Technology

    2004-11-10

    ELEMENT NUMBER 62601F 6. AUTHOR(S) 5d. PROJECT NUMBER R. S. Selesnick *, M. D. Looper* and 1010 Jay M. Albert 5e. TASK NUMBER RS 5f. WORK UNIT NUMBER Al 7...VOL. 109, A11209, doi:10.1029/2004JA010611, 2004 Low-altitude distribution of radiation belt electrons R. S. Selesnick and M. D. Looper The...Magnetospheric Physics: Plasma waves and instabilities; KEYWORDS: radiation belt, electrons, diffusion, atmospheric scattering Citation: Selesnick , R. S., M. D

  12. The 2-alkyl-2H-indazole regioisomers of synthetic cannabinoids AB-CHMINACA, AB-FUBINACA, AB-PINACA, and 5F-AB-PINACA are possible manufacturing impurities with cannabimimetic activities.

    PubMed

    Longworth, Mitchell; Banister, Samuel D; Mack, James B C; Glass, Michelle; Connor, Mark; Kassiou, Michael

    Indazole-derived synthetic cannabinoids (SCs) featuring an alkyl substituent at the 1-position and l-valinamide at the 3-carboxamide position (e.g., AB-CHMINACA) have been identified by forensic chemists around the world, and are associated with serious adverse health effects. Regioisomerism is possible for indazole SCs, with the 2-alkyl-2H-indazole regioisomer of AB-CHMINACA recently identified in SC products in Japan. It is unknown whether this regiosiomer represents a manufacturing impurity arising as a synthetic byproduct, or was intentionally synthesized as a cannabimimetic agent. This study reports the synthesis, analytical characterization, and pharmacological evaluation of commonly encountered indazole SCs AB-CHMINACA, AB-FUBINACA, AB-PINACA, 5F-AB-PINACA and their corresponding 2-alkyl-2H-indazole regioisomers. Both regioisomers of each SC were prepared from a common precursor, and the physical properties, (1)H and (13)C nuclear magnetic resonance spectroscopy, gas chromatography-mass spectrometry, and ultraviolet-visible spectroscopy of all SC compounds are described. Additionally, AB-CHMINACA, AB-FUBINACA, AB-PINACA, and 5F-AB-PINACA were found to act as high potency agonists at CB1 (EC50 = 2.1-11.6 nM) and CB2 (EC50 = 5.6-21.1 nM) receptors in fluorometric assays, while the corresponding 2-alkyl-2H-indazole regioisomers demonstrated low potency (micromolar) agonist activities at both receptors. Taken together, these data suggest that 2-alkyl-2H-indazole regioisomers of AB-CHMINACA, AB-FUBINACA, AB-PINACA, and 5F-AB-PINACA are likely to be encountered by forensic chemists and toxicologists as the result of improper purification during the clandestine synthesis of 1-alkyl-1H-indazole regioisomers, and can be distinguished by differences in gas chromatography-mass spectrometry fragmentation pattern.

  13. Crystal structure of a binuclear nickel(II) complex constructed of 1H-imidazo[4,5-f][1,10]phenanthroline and doubly deprotonated benzene-1,3,5-tri­carb­oxy­lic acid

    PubMed Central

    Lv, Ying; Hao, Xiang-Rong

    2015-01-01

    The title complex, [Ni2(C9H4O6)2(C13H8N4)2(H2O)4]·2H2O, bis­(μ-5-carb­oxy­benzene-1,3-di­carboxyl­ato-κ2 O 1:O 1′)bis­[di­aqua(1H-imidazo[4,5-f][1,10]phenanthroline-κ2 N 7,N 8)nickel(II)] di­hydrate, was obtained under solvothermal conditions by the reaction of benzene-1,3,5-tricarboxylic acid (H3BTC) with Ni(NO3)2 in the presence of 1H-imidazo[4,5-f][1,10]phenanthroline (IP). The crystal has triclinic (P-1) symmetry with a centrosymmetric binuclear nickel(II) cluster. The NiII atom is coordinated by two N atoms from a chelating 1H-imidazo[4,5-f][1,10]phenanthroline ligand, two carboxyl­ate O atoms from two 5-carb­oxy­benzene-1,3-di­carboxyl­ate ligands and two water mol­ecules in a slightly distorted octa­hedral geometry. Two carboxyl­ate groups bridge two NiII cations, forming the binuclear complex. Extensive N—H⋯O, O—H⋯O and O—H⋯N hydrogen bonding is present in the crystal structure, forming a three-dimensional supermolecular framework. Weak π–π stacking is observed between parallel HBTC2− and IP ring systems, the face-to-face separation being 3.695 (2) Å. PMID:26029419

  14. Asymptotic behavior of the deuteron form factors in the two-nucleon model and electron scattering experiments at GeV energies at JLab

    SciTech Connect

    Krutov, A. F.; Tsirova, N. A.; Troitsky, V. E.

    2008-10-15

    Using the instant form dynamics of Poincare invariant quantum mechanics and the modified relativistic impulse approximation proposed previously, we calculate asymptotic behavior of electromagnetic form factors for the deuteron considered as a two-nucleon system. We show that today, experimentation on elastic ed scattering has reached the asymptotic regime. We also estimate the possible range of momentum transfer in which the quark degrees of freedom will possibly be seen in future JLab experiments. The explicit relation between the behavior of the deuteron wave function at r=0 and the form factors asymptotic behavior is obtained, and the conditions of wave functions that give the asymptotic behavior predicted by QCD and quark counting rules are formulated.

  15. Upper Critical Field, Critical Current Density and Activation Energy of the New La1-xSmxO0.5F0.5BiS2 (x = 0.2, 0.8) Superconductors

    NASA Astrophysics Data System (ADS)

    Kalai Selvan, Ganesan; Singh Thakur, Gohil; Manikandan, Krishnan; Uwatoko, Yoshia; Haque, Zeba; Gupta, Laxmi Chand; Ganguli, Ashok Kumar; Arumugam, Sonachalam

    2015-12-01

    Critical current density (Jc), thermal activation energy (U0), and upper critical field (Hc2) of La1-xSmxO0.5F0.5BiS2 (x = 0.2, 0.8) superconductors are investigated from magnetic field dependent ρ(T) studies. The estimated upper critical field (Hc2) has low values of 1.04 T for x = 0.2 and 1.41 T for x = 0.8. These values are lower than Sm free LaO0.5F0.5BiS2 superconductor (1.9 T). The critical current density (Jc) is estimated to be 1.35 × 105 and 5.07 × 105 A/cm2 (2 K) for x = 0.2 and 0.8 respectively, using the Bean's model. The thermal activation energy (U0/kB) is 61 K for x = 0.2 and 140 K for x = 0.8 as calculated from Arrhenius plots at low magnetic field (1 T) and indicates a strong flux pinning potential which might be co-existing with applied magnetic field.

  16. A Ru(II) complex with 2-(4-(methylsulfonyl)phenyl)-1H-imidazo[4,5-f][1,10]phenanthroline: synthesis, characterization, and acid-base and DNA-binding properties.

    PubMed

    Gao, Jie; Wang, Zhi-Ping; Yuan, Cui-Li; Jia, Hai-Shun; Wang, Ke-Zhi

    2011-09-01

    A new Ru(II) complex of [Ru(bpy)2(Hmspip)]Cl2 {in which bpy=2,2'-bipyridine, Hmspip=2-(4-(methylsulfonyl)phenyl)-1H-imidazo[4,5-f][1,10]phenanthroline} have been synthesized and characterized. The ground- and excited-state acid-base properties of [Ru(bpy)2(Hmspip)]Cl2 and its parent complex of [Ru(bpy)2(Hpip)]Cl2 {Hpip=2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline} have been studied by UV-visible (UV-vis) and emission spectrophotometric pH titrations. [Ru(bpy)2(Hmspip)]Cl2 acts as a calf thymus DNA intercalators with a binding constant of 4.0×10(5) M(-1) in buffered 50 mM NaCl, as evidenced by UV-vis and luminescence titrations, steady-state emission quenching by [Fe(CN)6]4-, DNA competitive binding with ethidium bromide, reverse salt titrations and viscosity measurements.

  17. Liraglutide protects Rin-m5f β cells by reducing procoagulant tissue factor activity and apoptosis prompted by microparticles under conditions mimicking Instant Blood-Mediated Inflammatory Reaction.

    PubMed

    Gleizes, Céline; Constantinescu, Andrei; Abbas, Malak; Bouhadja, Houda; Zobairi, Fatiha; Kessler, Laurence; Toti, Florence

    2014-07-01

    Instant Blood-Mediated Inflammatory Reaction (IBMIR) occurs at the vicinity of transplanted islets immediately after intraportal infusion and is characterized by cytokine secretion, tissue factor (TF) expression, and ß cell loss. Microparticles (MPs) are cellular effectors shed from the plasma membrane of apoptotic cells. Modulation of the properties of ß cell-derived MPs by liraglutide was assessed in a cellular model designed to mimic IBMIR oxidative and inflammatory conditions. Rin-m5f rat β cells were stimulated by H2 O2 or a combination of IL-1β and TNF-α. Cell-derived MPs were applied to naive Rin-m5f for 24 h. Apoptosis, MP release, TF activity, P-IκB expression, and MP-mediated apoptosis were measured in target cells. Direct protection by liraglutide was shown by a significant decrease in the oxidative stress-induced apoptosis (18.7% vs. 7.6%, P < 0.0001 at 1 μm liraglutide) and cellular TF activity (-40% at 100 nm liraglutide). Indirect cytoprotection led to 20% reduction in MP generation, thereby lowering MP-mediated apoptosis (6.3% vs. 3.7%, P = 0.022) and NF-κB activation (-50%) in target cells. New cytoprotective effects of liraglutide were evidenced, limiting the expression of TF activity by ß cells and the generation of noxious MPs. Altogether, these data suggest that liraglutide could target pro-apoptotic and pro-inflammatory MPs in transplanted islets.

  18. Demonstration of Confined Electron Gas and Steep-Slope Behavior in Delta-Doped GaAs-AlGaAs Core-Shell Nanowire Transistors.

    PubMed

    Morkötter, S; Jeon, N; Rudolph, D; Loitsch, B; Spirkoska, D; Hoffmann, E; Döblinger, M; Matich, S; Finley, J J; Lauhon, L J; Abstreiter, G; Koblmüller, G

    2015-05-13

    Strong surface and impurity scattering in III-V semiconductor-based nanowires (NW) degrade the performance of electronic devices, requiring refined concepts for controlling charge carrier conductivity. Here, we demonstrate remote Si delta (δ)-doping of radial GaAs-AlGaAs core-shell NWs that unambiguously exhibit a strongly confined electron gas with enhanced low-temperature field-effect mobilities up to 5 × 10(3) cm(2) V(-1) s(-1). The spatial separation between the high-mobility free electron gas at the NW core-shell interface and the Si dopants in the shell is directly verified by atom probe tomographic (APT) analysis, band-profile calculations, and transport characterization in advanced field-effect transistor (FET) geometries, demonstrating powerful control over the free electron gas density and conductivity. Multigated NW-FETs allow us to spatially resolve channel width- and crystal phase-dependent variations in electron gas density and mobility along single NW-FETs. Notably, dc output and transfer characteristics of these n-type depletion mode NW-FETs reveal excellent drain current saturation and record low subthreshold slopes of 70 mV/dec at on/off ratios >10(4)-10(5) at room temperature.

  19. Photophysical behavior of doubly bridged d7-d7 metal-metal bonded compounds - The crystal structure and the excited- and ground-state electronic spectra of Re2(CO)6(dmpm)2 (dmpm = bis/dimethylphosphino/ methane)

    NASA Technical Reports Server (NTRS)

    Milder, Steven J.; Castellani, Michael P.; Weakley, Timothy J. R.; Tyler, David R.; Miskowski, Vincent M.; Stiegman, A. E.

    1990-01-01

    Re2(CO)6(dmpm)2 shows photophysical behavior in a rigid medium that differs dramatically from that observed in fluid solution. In a hydrocarbon glass at 77 K, metal-metal bond homolysis is suppressed and an intense phosphorescence is observed. The transient absorption spectrum, which shows only weak transitions to the red of the ground state 1(sigma-sigma asterisk) transition, permits assignment of the emitting state to a 3(sigma-sigma asterisk) transition. The crystal structure of Re2(CO)6(dmpm)2 is also reported. The ground-state electronic structure is discussed relative to the structural data.

  20. A combined photoelectron spectroscopy and relativistic ab initio studies of the electronic structures of UFO and UFO(-).

    PubMed

    Roy, Soumendra K; Jian, Tian; Lopez, Gary V; Li, Wei-Li; Su, Jing; Bross, David H; Peterson, Kirk A; Wang, Lai-Sheng; Li, Jun

    2016-02-28

    The observation of the gaseous UFO(-) anion is reported, which is investigated using photoelectron spectroscopy and relativisitic ab initio calculations. Two strong photoelectron bands are observed at low binding energies due to electron detachment from the U-7sσ orbital. Numerous weak detachment bands are also observed due to the strongly correlated U-5f electrons. The electron affinity of UFO is measured to be 1.27(3) eV. High-level relativistic quantum chemical calculations have been carried out on the ground state and many low-lying excited states of UFO to help interpret the photoelectron spectra and understand the electronic structure of UFO. The ground state of UFO(-) is linear with an O-U-F structure and a (3)H4 spectral term derived from a U 7sσ(2)5fφ(1)5fδ(1) electron configuration, whereas the ground state of neutral UFO has a (4)H(7/2) spectral term with a U 7sσ(1)5fφ(1)5fδ(1) electron configuration. Strong electron correlation effects are found in both the anionic and neutral electronic configurations. In the UFO neutral, a high density of electronic states with strong configuration mixing is observed in most of the scalar relativistic and spin-orbit coupled states. The strong electron correlation, state mixing, and spin-orbit coupling of the electronic states make the excited states of UFO very challenging for accurate quantum chemical calculations.

  1. Theoretical survey on M@C80 (M = Ca, Sr, and Ba): Behavior of different alkaline earth metal impacting the chemical stability and electronic properties

    NASA Astrophysics Data System (ADS)

    Cui, Jin-Bo; Guo, Yi-Jun; Li, Qiao-Zhi; Zhao, Pei; Zhao, Xiang

    2016-08-01

    Structures of mono-metallofullerenes M@C80 (M = Ca, Sr, and Ba) that separated in early experiment are determined owning the C2v(31920)-C80 cage. The change rule of properties for M@C80 (M = Ca, Sr, and Ba) influenced by different inner metal are discussed. As the trapped metal changes from calcium to barium, performance of thermodynamic stabilities for M@C2v(31920)-C80, M@C2v(31922)-C80, and M@D5h(31923)-C80 are significantly different. Orbital analysis suggests that the lowest unoccupied molecular orbitals (LUMOs) of Ca@C2v(31920)-C80 and Ca@D5h(31923)-C80 are mostly located on the trapped metal, whereas reduction reactions of Ca@C2v(31920)-C80 and Ca@D5h(31923)-C80 occur on the fullerene cage. Natural electron configuration analyses demonstrates that the decentralized electron back-donation of Ba@C2v(31920)-C80 would take responsible for the instability of itself. Electronic properties such as electron affinities and ionization potentials are significantly affected by encapsulated metal are also found. Computational UV-visible-NIR spectra for M@C2v(31920)-C80 (M = Ca, Sr, Ba) are in perfect accord with the spectra obtained experimentally.

  2. Behavior of Small-Scale Density Fluctuations in Discharges with Off-Axis Electron-Cyclotron Resonance Heating in the T-10 Tokamak

    SciTech Connect

    Shelukhin, D.A.; Vershkov, V.A.; Razumova, K.A.

    2005-12-15

    In experiments on off-axis electron-cyclotron resonance heating in the T-10 tokamak, a steep gradient of the electron temperature was observed to form for a short time at a relative radius of {rho} {approx_equal} 0.25 after the heating power was switched off. Small-scale fluctuations of the electron density were studied with the help of correlation reflectometry. It was found that, in a narrow region near {rho} {approx_equal} 0.25, the amplitude of the density fluctuations was two times lower than that in the ohmic heating phase. Quasi-coherent fluctuations were suppressed over a period of time during which the steep temperature gradient existed. Measurements of the poloidal rotation velocity of turbulent fluctuations show that there is no velocity shear after the heating is switched off. An analysis of the linear growth rates of instabilities shows that the ion-temperature-gradient mode is unstable at {rho} {approx_equal} 0.25 throughout the entire discharge phase. The effect observed can be explained by an increase in the distance between the rational surfaces near the radius at which the safety factor is q = 1 due to the temporary flattening of the q profile after the off-axis electron-cyclotron resonance heating is switched off.

  3. Scanning Probe Microwave Reflectivity of Aligned Single-Walled Carbon Nanotubes: Imaging of Electronic Structure and Quantum Behavior at the Nanoscale.

    PubMed

    Seabron, Eric; MacLaren, Scott; Xie, Xu; Rotkin, Slava V; Rogers, John A; Wilson, William L

    2016-01-26

    Single-walled carbon nanotubes (SWNTs) are 1-dimensional nanomaterials with unique electronic properties that make them excellent candidates for next-generation device technologies. While nanotube growth and processing methods have progressed steadily, significant opportunities remain in advanced methods for their characterization, inspection, and metrology. Microwave near-field imaging offers an extremely versatile "nondestructive" tool for nanomaterials characterization. Herein, we report the application of nanoscale microwave reflectivity to study SWNT electronic properties. Using microwave impedance microscopy (MIM) combined with microwave impedance modulation microscopy (MIM(2)), we imaged horizontal SWNT arrays, showing the microwave reflectivity from individual nanotubes is extremely sensitive to their electronic properties and dependent on the nanotube quantum capacitance under proper experimental conditions. It is shown experimentally that MIM can be a direct probe of the nanotube-free carrier density and the details of their electronic band structure. We demonstrate spatial mapping of local SWNT impedance (MIM), the density of states (MIM(2)), and the nanotube structural morphology (AFM) simultaneously and with lateral resolution down to <50 nm. Nanoscale microwave reflectivity could have tremendous impact, enabling optimization of enriched growth processes and postgrowth purification of SWNT arrays while aiding in the analysis of the quantum physics of these important 1D materials.

  4. Observing Tin-Lead Alloys by Scanning Electron Microscopy: A Physical Chemistry Experiment Investigating Macro-Level Behaviors and Micro-Level Structures

    ERIC Educational Resources Information Center

    Wang, Yue; Xu, Xinhua; Wu, Meifen; Hu, Huikang; Wang, Xiaogang

    2015-01-01

    Scanning electron microscopy (SEM) was introduced into undergraduate physical chemistry laboratory curriculum to help students observe the phase composition and morphology characteristics of tin-lead alloys and thus further their understanding of binary alloy phase diagrams. The students were captivated by this visual analysis method, which…

  5. Behavior of lithium ions in the turbulent near-wall tokamak plasma under heating of ions and electrons of the main plasma

    SciTech Connect

    Shurygin, R. V. Morozov, D. Kh.

    2014-12-15

    Turbulent dynamics of the near-wall tokamak plasma is simulated by numerically solving the nonlinear reduced Braginskii magnetohydrodynamic equations with allowance for a lithium ion admixture. The effects of turbulence and radiation of the admixture are analyzed in the framework of a self-consistent approach. The radial distributions of the radiative loss power and the density of Li{sup 0} atoms and Li{sup +1} ions are obtained as functions of the electron and ion temperatures of the main plasma in the near-wall layer. The results of numerical simulations show that supply of lithium ions into the low-temperature near-wall plasma substantially depends on whether the additional power is deposited into the electron or ion component of the main plasma. If the electron temperature in the layer increases (ECR heating), then the ion density drops. At the same time, an increase in the temperature of the main ions (ICR heating) leads to an increase in the density of Li{sup +1} ions. The results of numerical simulations are explained by the different influence of the electron and ion temperatures on the atomic processes governing the accumulation and loss of particles in the balance equations for neutral Li{sup 0} atoms and Li{sup +1} ions in the admixture. The radial profile of the electron temperature and the corresponding distribution of the radiative loss power for different densities of neutral Li{sup 0} atoms on the wall are obtained. The calculations show that the presence of Li{sup +1} ions affects turbulent transport of the main ions. In this case, the electron heat flux increases by 20–30% with increasing Li{sup +1} density, whereas the flux of the main ions drops by nearly the same amount. The radial profile of the turbulent flux of lithium ions is obtained. It is demonstrated that the appearance of the pinch effect is related to the positive density gradient of lithium ions across the calculation layer. For the parameters of the T-10 tokamak, the effect of

  6. A Transition from Localized to Strongly Correlated Electron Behavior and Mixed Valence Driven by Physical or Chemical Pressure in ACo2As2 (A = Eu and Ca)

    SciTech Connect

    Tan, Xiaoyan; Fabbris, Gilberto; Haskel, Daniel; Yaroslavtsev, Alexander A.; Cao, Huibo; Thompson, Corey M.; Kovnir, Kirill; Menushenkov, Alexey P.; Chernikov, Roman V.; Garlea, V. Ovidiu; Shatruk, Michael

    2016-02-03

    In this paper, we demonstrate that the action of physical pressure, chemical compression, or aliovalent substitution in ACo2As2 (A = Eu and Ca) has a general consequence of causing these antiferromagnetic materials to become ferromagnets. In all cases, the mixed valence triggered at the electropositive A site results in the increase of the Co 3d density of states at the Fermi level. Remarkably, the dramatic alteration of magnetic behavior results from the very minor (<0.15 electron) change in the population of the 3d orbitals. The mixed valence state of Eu observed in the high-pressure (HP) form of EuCo2As2 exhibits a remarkable stability, achieving the average oxidation state of +2.25 at 12.6 GPa. In the case of CaCo2As2, substituting even 10% of Eu or La into the Ca site causes ferromagnetic ordering of Co moments. Similar to HP-EuCo2As2, the itinerant 3d ferromagnetism emerges from electronic doping into the Co layer because of chemical compression of Eu sites in Ca0.9Eu0.1Co1.91As2 or direct electron doping in Ca0.85La0.15Co1.89As2. Finally, the results reported herein demonstrate the general possibility of amplifying minor localized electronic effects to achieve major changes in material’s properties via involvement of strongly correlated electrons.

  7. Heat shrinkable behavior, physico-mechanical and structure properties of electron beam cross-linked blends of high-density polyethylene with acrylonitrile-butadiene rubber

    NASA Astrophysics Data System (ADS)

    Reinholds, Ingars; Kalkis, Valdis; Merijs-Meri, Remo; Zicans, Janis; Grigalovica, Agnese

    2016-03-01

    In this study, heat-shrinkable composites of electron beam irradiated high-density polyethylene (HDPE) composites with acrylonitrile-butadiene rubber (NBR) were investigated. HDPE/NBR blends at a ratio of components 100/0, 90/10, 80/20, 50/50 and 20/80 wt% were prepared using a two-roll mill. The compression molded films were irradiated high-energy (5 MeV) accelerated electrons up to irradiation absorbed doses of 100-300 kGy. The effect of electron beam induced cross-linking was evaluated by the changes of mechanical properties, gel content and by the differences of thermal properties, detected by differential scanning calorimetry. The thermo-shrinkage forces were determined as the kinetics of thermorelaxation and the residual shrinkage stresses of previously oriented (stretched up to 100% at above melting temperature of HDPE and followed by cooling to room temperature) specimens of irradiated HDPE/NBR blends under isometric heating-cooling mode. The compatibility between the both components was enhanced due to the formation of cross-linked sites at amorphous interphase. The results showed increase of mechanical stiffness of composites with increase of irradiation dose. The values of gel fraction compared to thermorelaxation stresses increased with the growth of irradiation dose level, as a result of formation cross-linked sites in amorphous PP/NBR interphase.

  8. Systematic modulation of quantum (electron) tunneling behavior by atomic layer deposition on nanoparticulate SnO2 and TiO2 photoanodes.

    PubMed

    Prasittichai, Chaiya; Avila, Jason R; Farha, Omar K; Hupp, Joseph T

    2013-11-06

    Ultrathin films of TiO2, ZrO2, and Al2O3 were conformally created on SnO2 and TiO2 photoelectrodes via atomic layer deposition (ALD) to examine their influence upon electron transfer (ET) from the electrodes to a representative molecular receptor, I3(-). Films thicker than 2 Å engender an exponential decrease in ET time with increasing film thickness, consistent with tunneling theory. Increasing the height of the barrier, as measured by the energy difference between the transferring electron and the bottom of the conduction band of the barrier material, results in steeper exponential drops in tunneling rate or probability. The variations are quantitatively consistent with a simple model of quantum tunneling of electrons through square barriers (i.e., barriers of individually uniform energy height) that are characterized by individually uniform physical thickness. The findings demonstrate that ALD is a remarkably uniform and precise method for modifying electrode surfaces and imply that standard tunneling theory can be used as a quantitative guide to intentionally and predictively modulating rates of ET between molecules and electrodes.

  9. Infrared band intensities and global warming potentials of CF4, C2F6, C3F8, C4F10, C5F12, and C6F14

    NASA Astrophysics Data System (ADS)

    Roehl, C. M.; Boglu, D.; Brühl, C.; Moortgat, G. K.

    1995-04-01

    IR band intensities have been measured for the species: CF4, C2F6, C3F8, C4F10, C5F12, and C6F14 via Fourier transform spectroscopy and compared to previous literature values if available. Relative radiative forcing calculations have been performed using these data in order to determine the global warming potential of the particular species. The relative forcing (compared to CFC11, per volume) increases with molecular weight in the above series from 0.47 to 2.1, the GWP for a time horizon of 100 yrs from 1.1 to 4.7. This corresponds to a GWP on CO2 basis per mass of about 5000.

  10. Prebiotics and age, but not probiotics affect the transformation of 2-amino-3-methyl-3H-imidazo[4,5-f]quinoline (IQ) by fecal microbiota - An in vitro study.

    PubMed

    Nowak, Adriana; Czyżowska, Agata; Huben, Krzysztof; Sójka, Michał; Kuberski, Sławomir; Otlewska, Anna; Śliżewska, Katarzyna

    2016-06-01

    Heterocyclic aromatic amines (HAAs) are carcinogens which are formed in meat cooked using high-temperature methods. The human gastrointestinal (GI) microbiota plays a crucial role in maintaining health in humans of different ages, and especially in the elderly. However, the GI microbiota, whose metabolism and composition changes with age, may also be responsible for the activation of mutagenic substances reaching the colon with diet. Probiotics and prebiotics are promising in terms of reducing the destructive effects of HAAs. The aim of the study was to determine if fecal microbiota derived from the feces of 27 volunteers: infants (up to 18 months), adults (aged 23-39 years), the sub-elderly (aged 64-65 years), and the elderly (aged 76-87 years), and the presence of probiotics or prebiotics, affected the transformation of IQ (2-amino-3-methylimidazo[4,5-f]quinoline) to 7-OH-IQ (2-amino-3,6-dihydro-3-methyl-7H-imidazo[4,5-f]quinoline-7-one). The compounds were identified using LC-MS(n), NMR, and FTIR. Their genotoxicity was compared in the comet assay. Individual strains capable of IQ transformation were also identified. 7-OH-IQ was detected in six persons (two children and four elderly individuals). The degree of IQ conversion ranged from 26% (4-month-old girl) to 94% (81-year-old woman) of the initial quantity. Four Enterococcus isolates: two Enterococcus faecium and two Enterococcus faecalis strains, as well as one Clostridium difficile strain (LOCK 1030, from the culture collection) converted IQ to 7-OH-IQ. The genotoxicity of samples containing 7-OH-IQ was even three times higher (P < 0.05) than those with IQ and was correlated with the degree of IQ conversion and 7-OH-IQ concentration.

  11. Electronic Cigarettes

    MedlinePlus

    ... New FDA Regulations Text Size: A A A Electronic Cigarettes Electronic cigarettes (e-cigarettes) are battery operated products designed ... more about: The latest news and events about electronic cigarettes on this FDA page Electronic cigarette basics ...

  12. Electronic structure of nitrides PuN and UN

    NASA Astrophysics Data System (ADS)

    Lukoyanov, A. V.; Anisimov, V. I.

    2016-11-01

    The electronic structure of uranium and plutonium nitrides in ambient conditions and under pressure is investigated using the LDA + U + SO band method taking into account the spin-orbit coupling and the strong correlations of 5 f electrons of actinoid ions. The parameters of these interactions for the equilibrium cubic structure are calculated additionally. The application of pressure reduces the magnetic moment in PuN due to predominance of the f 6 configuration and the jj-type coupling. An increase in the occupancy of the 5 f state in UN leads to a decrease in the magnetic moment, which is also detected in the trigonal structure of the UN x β phase (La2O3-type structure). The theoretical results are in good agreement with the available experimental data.

  13. Pressure effects on the electronic and optical properties of AWO4 wolframites (A = Cd, Mg, Mn, and Zn): The distinctive behavior of multiferroic MnWO4

    NASA Astrophysics Data System (ADS)

    Ruiz-Fuertes, J.; López-Moreno, S.; López-Solano, J.; Errandonea, D.; Segura, A.; Lacomba-Perales, R.; Muñoz, A.; Radescu, S.; Rodríguez-Hernández, P.; Gospodinov, M.; Nagornaya, L. L.; Tu, C. Y.

    2012-09-01

    The electronic band-structure and band-gap dependence on the d character of A2+ cation in AWO4 wolframite-type oxides is investigated for different compounds (A = Mg, Zn, Cd, and Mn) by means of optical-absorption spectroscopy and first-principles density-functional calculations. High pressure is used to tune their properties up to 10 GPa by changing the bonding distances establishing electronic to structural correlations. The effect of unfilled d levels is found to produce changes in the nature of the band gap as well as its pressure dependence without structural changes. Thus, whereas Mg, Zn, and Cd, with empty or filled d electron shells, give rise to direct and wide band gaps, Mn, with a half-filled d shell, is found to have an indirect band gap that is more than 1.6 eV smaller than for the other wolframites. In addition, the band gaps of MgWO4, ZnWO4, and CdWO4 blue-shift linearly with pressure, with a pressure coefficient of approximately 13 eV/GPa. However, the band gap of multiferroic MnWO4 red-shifts at -22 meV/GPa. Finally, in MnWO4, absorption bands are observed at lower energy than the band gap and followed with pressure based on the Tanabe-Sugano diagram. This study allows us to estimate the crystal-field variation with pressure for the MnO6 complexes and how it affects their band-gap closure.

  14. Fine-time energetic electron behavior observed by Cluster/RAPID in the magnetotail associated with X-line formation and subsequent current disruption

    NASA Astrophysics Data System (ADS)

    Vogiatzis, I. I.; Fritz, T. A.; Zong, Q.-G.; Baker, D. N.; Sarris, E. T.; Daly, P. W.

    2005-09-01

    Energetic electrons with 90deg pitch angle have been observed in the magnetotail at ~19 RE near local midnight during the recovery phase of a substorm event on 27 August 2001 (Baker et al., 2002). Based on auroral images Baker et al. (2002) placed the substorm expansion phase between ~04:06:16 and ~04:08:19 UT. The electron enhancements perpendicular to the ambient magnetic field occurred while the Cluster spacecraft were on closed field lines in the central plasma sheet approaching the neutral sheet. Magnetic field and energetic particle measurements have been employed from a number of satellites, in order to determine the source and the subsequent appearance of these electrons at the Cluster location. It is found that ~7.5 min after an X-line formation observed by Cluster (Baker et al., 2002) a current disruption event took place inside geosynchronous orbit and subsequently expanded both in local time and tailward, giving rise to field-aligned currents and the formation of a current wedge. A synthesis of tail reconnection and the cross-tail current disruption scenario is proposed for the substorm global initiation process: When a fast flow with northward magnetic field, produced by magnetic reconnection in the midtail, abruptly decelerates at the inner edge of the plasma sheet, it compresses the plasma populations earthward of the front, altering dynamically the Bz magnetic component in the current sheet. This provides the necessary and sufficient conditions for the kinetic cross-field streaming/current (KCSI/CFCI) instability (Lui et al., 1990, 1991) to initiate. As soon as the ionospheric conductance increases over a threshold level, the auroral electrojet is greatly intensified (see Fig. 2 in Baker et al., 2002), which leads to the formation of the substorm current wedge and dipolarization of the magnetic field. This substorm scenario combines the near-Earth neutral line and the current disruption for the initiation of substorms, at least during steady

  15. Cathodoluminescence and Cross-sectional Transmission Electron Microscopy Studies for Deformation Behaviors of GaN Thin Films Under Berkovich Nanoindentation

    PubMed Central

    2008-01-01

    In this study, details of Berkovich nanoindentation-induced mechanical deformation mechanisms of metal-organic chemical-vapor deposition-derived GaN thin films have been systematic investigated with the aid of the cathodoluminescence (CL) and the cross-sectional transmission electron microscopy (XTEM) techniques. The multiple “pop-in” events were observed in the load-displacement (P–h) curve and appeared to occur randomly by increasing the indentation load. These instabilities are attributed to the dislocation nucleation and propagation. The CL images of nanoindentation show very well-defined rosette structures with the hexagonal system and, clearly display the distribution of deformation-induced extended defects/dislocations which affect CL emission. By using focused ion beam milling to accurately position the cross-section of an indented area, XTEM results demonstrate that the major plastic deformation is taking place through the propagation of dislocations. The present observations are in support to the massive dislocations activities occurring underneath the indenter during the loading cycle. No evidence of either phase transformation or formation of micro-cracking was observed by means of scanning electron microscopy and XTEM observations. We also discuss how these features correlate with Berkovich nanoindentation produced defects/dislocations structures.

  16. Mn-Cr intersite independent magnetic behavior and electronic structures of LaMn3Cr4O12: Study from first-principles

    NASA Astrophysics Data System (ADS)

    Lv, Shuhui; Li, Hongping; Liu, Xiaojuan; Meng, Jian

    2011-07-01

    The magnetic and electronic structures of LaMn3Cr4O12 are investigated using the full-potential linearized augmented plane wave method within both the generalized gradient approximation (GGA) and GGA + U (electronic correlation) methods. The calculated results indicate that LaMn3Cr4O12 is an antiferromagnetic insulator. The magnetic ordering is demonstrated to be G-type within both Mn-site and Cr-site spins. However, there is no obvious magnetic coupling between Mn-site and Cr-site sublattices, which is verified by the separate distribution of their corresponding partial density of states. Moreover, the magnetic coupling constants of JCr-Cr and JMn-Mn are predicted to be - 5.0 (- 2.8) and - 0.83 (- 0.63) meV within GGA (GGA + U), respectively, consistent with the experimentally observed two independent Néel temperatures (TN1 and TN2). The calculated densities of states reveal the experimentally reported charge formula of LaMn3+3Cr3+4O12.

  17. Different charging behaviors between electrons and holes in Si nanocrystals embedded in SiNx matrix by the influence of near-interface oxide traps

    NASA Astrophysics Data System (ADS)

    Zhong-Hui, Fang; Xiao-Fan, Jiang; Kun-Ji, Chen; Wang, Yue-Fei; Li, Wei; Xu, Jun

    2015-01-01

    Si-rich silicon nitride films are prepared by plasma-enhanced chemical vapor deposition method, followed by thermal annealing to form the Si nanocrystals (Si-NCs) embedded in SiNx floating gate MOS structures. The capacitance-voltage (C-V), current-voltage (I-V), and admittance-voltage (G-V) measurements are used to investigate the charging characteristics. It is found that the maximum flat band voltage shift (ΔVFB) due to full charged holes (˜ 6.2 V) is much larger than that due to full charged electrons (˜ 1 V). The charging displacement current peaks of electrons and holes can be also observed by the I-V measurements, respectively. From the G-V measurements we find that the hole injection is influenced by the oxide hole traps which are located near the SiO2/Si-substrate interface. Combining the results of C-V and G-V measurements, we find that the hole charging of the Si-NCs occurs via a two-step tunneling mechanism. The evolution of G-V peak originated from oxide traps exhibits the process of hole injection into these defects and transferring to the Si-NCs. Project supported by the National Basic Research Program of China (Grant No. 2010CB934402) and the National Natural Science Foundation of China (Grant No. 11374153).

  18. Investigations on the electronic, structural, magnetic properties related to shape-memory behavior in Ti{sub 2}CoX (X=Al, Ga, In)

    SciTech Connect

    Wei, Xiao-Ping; Chu, Yan-Dong; Sun, Xiao-Wei; E, Yan; Deng, Jian-Bo; Xing, Yong-Zhong

    2015-02-15

    Highlights: • The analysis of phase stability trend is studied for Ti{sub 2}CoX(X = Al, Ga, In). • Ti{sub 2}CoGa is more suitable as shape memory alloy. • Total magnetic moments disappear with a increase of c/a ratio for all systems. • Density of states at the Fermi level are also shown. - Abstract: Using the full-potential local orbital minimum-basis method, we have performed a systematic investigations on the electronic, structural, and magnetic properties related to shape memory applications for Ti{sub 2}CoX (X=Al, Ga, In) alloys. Our results confirm that these alloys are half-metallic ferromagnets with total magnetic moment of 2μ{sub B} per formula unit in austenite phase, and undergo a martensitic transformation at low temperatures. The relative stabilities of the martensitic phases differ considerably between Ti{sub 2}CoX (X=Al, Ga, In). Details of the electronic structures suggest that the differences in hybridizations between the magnetic components are responsible for trends of phase. Quantitative estimates for the energetics and the magnetizations indicate that Ti{sub 2}CoGa is a promising candidate for shape memory applications.

  19. Adsorption behavior of poly(dimethyl-diallylammonium chloride) on pulp fiber studied by cryo-time-of-flight secondary ion mass spectrometry and cryo-scanning electron microscopy

    NASA Astrophysics Data System (ADS)

    Masumi, Takashi; Matsushita, Yasuyuki; Aoki, Dan; Takama, Ruka; Saito, Kaori; Kuroda, Katsushi; Fukushima, Kazuhiko

    2014-01-01

    In this study, the adsorption behavior of poly(dimethyl-diallylammonium chloride) (PDADMAC), a retention agent used in papermaking, in a dual polymer system with anionic poly(acrylamide) (A-PAM) was investigated by time-of-flight secondary ion mass spectrometry (TOF-SIMS). Initially, fragment structures and cleavage patterns were identified via TOF-SIMS experiments with deuterium-labeled PDADMAC and the unlabeled analogue. Visualization of PDADMAC on a dry handsheet surface using traditional TOF-SIMS analysis indicated that the electrostatic interaction between coagulated PDADMAC and A-PAM was relatively weak. A novel cryo-TOF-SIMS/SEM system enabled the evaluation of a wet handsheet containing PDADMAC. Analysis of this sample indicated that PDADMAC adsorbs onto the fiber surface and collects preferentially on the tangled fibrils located between fibers.

  20. Radiogenic changes in the behavior and physiology of the spontaneously hypertensive rat - Evidence for a dissociation between acute hypotension and incapacitation. [Electron radiation

    SciTech Connect

    Mickley, G.A.; Teitelbaum, H.; Parker, G.A.; Vieras, F.; Dennison, B.A.; Bonney, C.H.

    1982-07-01

    The Armed Forces Radiobiology Research Institute's linear accelerator was used to expose rats to high-energy electron radiation. The purpose of the study was to investigate both radiogenic blood pressure and performance changes in a strain of rat bred for hypertension (spontaneously hypertensive rat: SHR) in order to determine if high blood pressure might attenuate early transient incapacitation (ETI). Although male SHRs experienced a severe drop in blood pressure, much of the data is inconsistent with the hypothesis that hypotension causes performance decrements. In an additional series of studies, blood volume and serum chemistry data were examined. Male SHRs were significantly higher than normotensive controls on several blood chemistry determinations. Exposure to ionizing radiation tended to enhance these differences. These results could not be explained on the basis of radiogenic blood volume fluctuations.

  1. Threshold behavior in electron-transfer collisions between rubidium atoms and C2F5Cl or C2F5I molecules.

    PubMed

    Jia, Beike; Harris, Sean; Lewis, Larry L; Zhan, Jiping; Brooks, Philip R

    2005-10-20

    Rubidium atoms are accelerated in a high-temperature expansion of hydrogen to produce beams with energies high enough to observe collisional ionization with a cross beam. The speed of the atoms is directly measured by time-of-flight techniques, and the positive and negative ions produced are detected in separate mass spectrometers and detected in coincidence. Chloroperfluoroethane produces C(2)F(5)(-) and Cl(-) ions, whereas iodoperfluoroethane produces I(-), C(2)F(5)(-), and C(2)F(5)I(-) ions. When the measured speed distributions are used, the signal versus energy may be deconvolved to yield thresholds and electron affinities (EAs). The EA for C(2)F(5)I is measured to be 0.96 +/- 0.1 eV. Anomalously high EA values result for C(2)F(5) apparently because C(2)F(5)(-) is produced by parts per million concentrations of Rb(2).

  2. Electronic, optical and photocatalytic behavior of Mn, N doped and co-doped TiO{sub 2}: Experiment and simulation

    SciTech Connect

    Zhao, Ya Fei; Li, Can Lu, Song; Liu, Ru Xi; Hu, Ji Yuan; Gong, Yin Yan; Niu, Leng Yuan

    2016-03-15

    The crystal phase structure, surface morphology, chemical states and optical properties of Mn, N mono-doped and co-doped TiO{sub 2} nanoparticles were investigated by X-ray powder diffractometry, Raman spectra, scanning electron microscopy, X-ray photoelectron spectroscopy and UV–vis diffuse reflectance spectroscopy. Meanwhile, geometry structures, formation energies, electronic and optical properties of all systems have been also analyzed by density functional theory. The results showed that the band gap values and the carrier mobility in the valence band, conduction band and impurity levels have a synergetic influence on the visible-light absorption and photocatalytic activity of the doped TiO{sub 2}. The number and the carrier mobility of impurity level jointly influence the photocatalytic activity of catalyst under visible-light. Especially, the photocatalytic activity of Mn-2N co-doped TiO{sub 2} beyond three-fold than that of pure TiO{sub 2} under visible-light. - Graphical abstract: The ILs formed by N-2p orbital in N single doped specimen lie above the VB, while the ILs formed by Mn-3d orbital in Mn single doped specimen appear below the CB. However, a large amount of ILs formed by N-2p orbital and Mn-3d orbital in N and Mn codoped specimens. The band gap values and the carrier mobility in the valence band, conduction band and impurity levels have a synergetic influence on the visible-light absorption and photocatalytic activity of the doped TiO{sub 2}. The number and the carrier mobility of impurity level jointly influence the photocatalytic activity of catalyst under visible-light.

  3. Ab initio electronic structure, magnetism, and magnetocrystalline anisotropy of UGa2

    NASA Astrophysics Data System (ADS)

    Diviš, Martin; Richter, Manuel; Eschrig, Helmut; Steinbeck, Lutz

    1996-04-01

    Ab initio electronic structure calculations for the intermetallic compound UGa2 were performed using an optimized linear combination of atomic orbitals method based on the local spin density approximation. Three separate calculations were done treating the uranium 5f states as band states and as localized states with occupation two and three, respectively. In the itinerant approach, spin and orbital moments, magnetocrystalline anisotropy, and the Sommerfeld constant were calculated and found to deviate significantly from the related experimental data. In the localized approach, crystal field parameters were obtained for the 5f states, which have been treated by self-interaction corrected local-density theory. This approach with 5f2 occupation is shown to provide reasonable results for the anisotropy of the susceptibility, for the field dependence of the magnetic moments, and for the Sommerfeld constant.

  4. Stimulation of β-adrenergic receptors plays a protective role via increased expression of RAF-1 and PDX-1 in hyperglycemic rat pancreatic islet (RIN-m5F) cells

    PubMed Central

    Qvist, Rajes; Ong, Gracie; Karimian, Hamed; Imran, Muhammad; Shah, Ikram

    2016-01-01

    Introduction It is a widely held view that a progressive reduction of beta-cell mass occurs in the progression of diabetes. RAF-1 kinase and pancreas duodenal homeobox 1 (PDX-1) are major factors that promote survival of cells and maintain normal insulin functions. In this study we investigated the effect of a β-adrenergic receptor agonist and antagonist on RAF-1 and PDX-1, and their respective effects on apoptosis and insulin release in RIN-m5F cells. Material and methods RIN-m5F cells were cultured in normal (5 mM) and high (25 mM) glucose to mimic diabetic conditions, followed by treatment with 5 µM, 10 µM and 20 µM of isoproterenol and isoproterenol + propranolol for 6, 12 and 24 h. Western blotting and reverse transcription analysis were performed to examine the expression of RAF-1 and PDX-1. Annexin-V-FITC and terminal deoxynucleotidyl transferase dUTP nick-end labeling (TUNEL) assays were used to investigate apoptosis. ELISA was used to measure insulin levels. Reverse transcription polymerase chain reaction was conducted to investigate the expression of genes. Results Stimulation of β-adrenergic receptors with isoproterenol significantly induced RAF-1 and PDX-1 genes in a concentration-dependent and time-independent manner. Changes were significant both at protein and mRNA levels. Up-regulation of RAF-1 and PDX-1 was accompanied by improved insulin levels and reduced apoptosis. Concentrations of 10 µM and 20 µM for 12 and 24 h were more effective in achieving significant differences in the experimental and control groups. Propranolol reversed the effect of isoproterenol mostly at maximum concentrations and time periods. Conclusions A positive effect of a β-adrenergic agonist on RAF-1 and PDX-1, reduction in β-cell apoptosis and improved insulin contents can help to understand the pathogenesis of diabetes and to develop novel approaches for the β-cell dysfunction in diabetes. PMID:28261303

  5. Unveiling the unfolding pathway of F5F8D disorder-associated D81H/V100D mutant of MCFD2 via multiple molecular dynamics simulations.

    PubMed

    Hamza, Adel; Wei, Ning-Ning; Johnson-Scalise, Trudy; Naftolin, Frederick; Cho, Hoon; Zhan, Chang-Guo

    2012-01-01

    Combined factor deficiency (F5F8D) is a rare autosomal recessive disorder caused by mutations in the LMAN1 or MCFD2 genes. It has been proposed that this pathogenic process occurs via a multi-step pathway involving metal loss, EF-hand-Ca21 dissociation and assembly of misfolded MCFD2-LMAN1 complex. Here, we have investigated the solution conformations of the MCFD2((D81H,V100D)) protein mutant through extensive molecular dynamics (MD) simulations. The V100D, one of the many MCFD2 mutations known to be associated to F5F8D, is difficult to be reconciled with the pathway model because it is located far from the metal sites and the MCFD2/LMAN1 interface. Consequently, an inspection of all the steps involved in D81H/V100D MCFD2 misfolding is expected to provide hints in the understanding of the molecular basis of the disease. A comparison with parallel studies carried out for the Wild-Type (WT) MCFD2 pointed out that the mutation decreases the affinity of the protein for the Ca21 ion. Multiple explicit solvents MD simulations (50 ns) performed on the two proteins revealed that in the WT protein, stable H-bond network and compact hydrophobic core region are created thus confirming a pivotal role of this region in driving the biophysical properties of the entire protein. In fact it is shown that the V100D mutation, although located far away the EF-hand domain, may induce subtle modification in the structural core of MCFD2 leading to the loosening of metal binding and to the formation of metastable intermediate states along the unfolding pathway. The native-like hydrophobic cluster formed near the V100 residue in the wild-type protein is disrupted by the negatively charged Asparagine residue. Furthermore, the presence of the D81H mutation in the EF-1 hand domain may also increase the protein unfolding rate and consequently prevent the formation of the MCFD2-LMAN1 complex. The detailed structural insights obtained from our large-scale simulations complement the clinical

  6. Variation in mechanical behavior due to different build directions of Titanium6Aluminum4Vanadium fabricated by electron beam additive manufacturing technology

    NASA Astrophysics Data System (ADS)

    Roy, Lalit

    Titanium has always been a metal of great interest since its discovery especially for critical applications because of its excellent mechanical properties such as light weight (almost half of that of the steel), low density (4.4 gm/cc) and high strength (almost similar to steel). It creates a stable and adherent oxide layer on its surface upon exposure to air or water which gives it a great resistance to corrosion and has made it a great choice for structures in severe corrosive environment and sea water. Its non-allergic property has made it suitable for biomedical application for manufacturing implants. Having a very high melting temperature, it has a very good potential for high temperature applications. But high production and processing cost has limited its application. Ti6Al4V is the most used titanium alloy for which it has acquired the title as `workhouse' of the Ti family. Additive layer Manufacturing (ALM) has brought revolution in manufacturing industries. Today, this additive manufacturing has developed into several methods and formed a family. This method fabricates a product by adding layer after layer as per the geometry given as input into the system. Though the conception was developed to fabricate prototypes and making tools initially, but its highly economic aspect i.e., very little waste material for less machining and comparatively lower production lead time, obviation of machine tools have drawn attention for its further development towards mass production. Electron Beam Melting (EBM) is the latest addition to ALM family developed by Arcam, ABRTM located in Sweden. The electron beam that is used as heat source melts metal powder to form layers. For this thesis work, three different types of specimens have been fabricated using EBM system. These specimens differ in regard of direction of layer addition. Mechanical properties such as ultimate tensile strength, elastic modulus and yield strength, have been measured and compared with standard data

  7. Electronic platform for real-time multi-parametric analysis of cellular behavior post-exposure to single-walled carbon nanotubes

    PubMed Central

    Eldawud, Reem; Wagner, Alixandra; Dong, Chenbo; Rojansakul, Yon; Dinu, Cerasela Zoica

    2016-01-01

    Single-walled carbon nanotubes (SWCNTs) implementation in a variety of biomedical applications from bioimaging, to controlled drug delivery and cellular-directed alignment for muscle myofiber fabrication, has raised awareness of their potential toxicity. Nanotubes structural aspects which resemble asbestos, as well as their ability to induce cyto and genotoxicity upon interaction with biological systems by generating reactive oxygen species or inducing membrane damage, just to name a few, have led to focused efforts aimed to assess associated risks prior their user implementation. In this study, we employed a non-invasive and real-time electric cell impedance sensing (ECIS) platform to monitor behavior of lung epithelial cells upon exposure to a library of SWCNTs with user-defined physicochemical properties. Using the natural sensitivity of the cells, we evaluated SWCNT-induced cellular changes in relation to cell attachment, cell–cell interactions and cell viability respectively. Our methods have the potential to lead to the development of standardized assays for risk assessment of other nanomaterials as well as risk differentiation based on the nanomaterials surface chemistry, purity and agglomeration state. PMID:25913448

  8. Migration and diving behavior of Centrophorus squamosus in the NE Atlantic. Combining electronic tagging and Argo hydrography to infer deep ocean trajectories

    NASA Astrophysics Data System (ADS)

    Rodríguez-Cabello, Cristina; González-Pola, Cesar; Sánchez, Francisco

    2016-09-01

    A total of nine leafscale gulper sharks Centrophorus squamosus (Bonnaterre, 1788), were tagged with pop-up, satellite, archival, transmitting tags (PSAT) in the Marine Protected Area (MPA) of El Cachucho (Le Danois Bank) located in waters to the north of Spain, (NE Atlantic). Tags provided data on time, pressure and temperature that were used to examine movement patterns and diving behavior. Data collected from Argo floats in the study area have been used to devise a simple geolocation algorithm to infer the probable routes followed by this species. Tag release points revealed that C. squamosus moved both to the west (Galician waters) and to the north (Porcupine Bank) from the tagging area, suggesting well defined preferred pathways. The inferred trajectories indicated that sharks alternate periods constrained to specific geographical regions with quick and prompt movements covering large distances. Two sharks made conspicuous diurnal vertical migrations being at shallower depths around midnight and at maximum depths at midday, while other sharks did not make vertical migrations. Vertical movements were done smoothly and independently of the fish swimming long-distances or resting in the area. Overall results confirm that this species is highly migratory, supporting speeds of 20 nautical miles.day-1 and well capable to swim and make vertical migrations well above the abyssal plain.

  9. Comparative study of structural, electronic and elastic behavior of OsAl and OsSi in B2 and B20 phases under pressure

    NASA Astrophysics Data System (ADS)

    Acharya, N.; Sanyal, S. P.

    2017-01-01

    The structural, electronic, bonding, elastic and mechanical properties of osmium intermetallic OsX (X = Al and Si) compounds in B2-phase as well as in B20-phase have been studied using full-potential linearized augmented plane wave method in the framework of density functional theory within generalized gradient approximation. The calculated lattice constants (a0) and bulk modulus (B) are in good agreement with experimental and available theoretical results. From the band structure calculations, it is shown that OsAl is metallic in both the phases while OsSi is found to be semiconductor in B20-phase with the indirect band gap of 0.33 eV but at high pressure the density of states at Fermi level N(EF) decreases and the bands spread over the entire reason in both the compounds. The elastic constants of these compounds obey the stability criteria for cubic system at 0 pressure as well as at high pressure. With increasing pressure, all the elastic constants for OsAl and OsSi increase almost linearly with pressure in both the phases except C44 for OsAl-B20 which shows its softening nature. Bonding nature is discussed in terms of charge density difference plots and Fermi surfaces.

  10. The effect of a Ta oxygen scavenger layer on HfO2-based resistive switching behavior: thermodynamic stability, electronic structure, and low-bias transport.

    PubMed

    Zhong, Xiaoliang; Rungger, Ivan; Zapol, Peter; Nakamura, Hisao; Asai, Yoshihiro; Heinonen, Olle

    2016-03-14

    Reversible resistive switching between high-resistance and low-resistance states in metal-oxide-metal heterostructures makes them very interesting for applications in random access memories. While recent experimental work has shown that inserting a metallic "oxygen scavenger layer" between the positive electrode and oxide improves device performance, the fundamental understanding of how the scavenger layer modifies the heterostructure properties is lacking. We use density functional theory to calculate thermodynamic properties and conductance of TiN/HfO2/TiN heterostructures with and without a Ta scavenger layer. First, we show that Ta insertion lowers the formation energy of low-resistance states. Second, while the Ta scavenger layer reduces the Schottky barrier height in the high-resistance state by modifying the interface charge at the oxide-electrode interface, the heterostructure maintains a high resistance ratio between high- and low-resistance states. Finally, we show that the low-bias conductance of device on-states becomes much less sensitive to the spatial distribution of oxygen removed from the HfO2 in the presence of the Ta layer. By providing a fundamental understanding of the observed improvements with scavenger layers, we open a path to engineer interfaces with oxygen scavenger layers to control and enhance device performance. In turn, this may enable the realization of a non-volatile low-power memory technology with concomitant reduction in energy consumption by consumer electronics and offering significant benefits to society.

  11. Effect of cold deformation on the recrystallization behavior of FePd alloy at the ordering temperature using electron backscatter diffraction

    SciTech Connect

    Lin, Hung-Pin; Chen, Yen-Chun; Chen, Delphic; Kuo, Jui-Chao

    2014-08-15

    In this study, the evolution of the recrystallization texture and microstructure was investigated after annealing of 50% and 90% cold-rolled FePd alloy at 530 °C. The FePd alloy was produced by vacuum arc melting in an atmosphere of 97% Ar and 3% H{sub 2}. The specimens were cold rolled to achieve 50% and 90% reduction in thickness. Electron backscatter diffraction measurements were performed on the rolling direction–normal direction section. With increased deformation from 50% to 90%, recrystallized texture transition occurs. For the 50% cold-rolled alloy, the preferred orientation is (0 1 0) [11 0 1], which is close to the cubic orientation after 400 h of annealing. For the 90% cold-rolled alloy, the orientation changes to (0 5 4) [22–4 5] after 16 h of annealing. - Highlights: • Texture and microstructure in cold-rolled FePd alloy was investigated during annealing using EBSD. • The recrystallized texture of 50% cold-rolled FePd is (0 1 0) [11 0 1] at 530 °C for 400 hours. • The recrystallized texture of 90% cold-rolled FePd is changed to (0 5 4) [22–4 5] at 530 °C after 16 hours.

  12. Adapting Autonomous Behavior Using an Inverse Trust Estimation

    DTIC Science & Technology

    2014-07-01

    to achieve team goals. Trustworthy behavior is not something that can be programmed into an agent in advance since how humans measure trust may be task...Inverse Trust Estimation 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 6. AUTHOR(S) 5d. PROJECT NUMBER 5e. TASK NUMBER 5f. WORK...wheeled unmanned ground vehicle (UGV) and uses eBotwork’s built-in natural language processing (for interpreting user commands), locomotion, and path

  13. CONTROLLING BEHAVIOR CHANGERS' BEHAVIOR.

    ERIC Educational Resources Information Center

    MARKLE, DAVID G.

    AN EMERGING METHODOLOGY OF PROGRAMING AVOIDS SOME OF THE UNFORTUNATE EFFECTS ON PROGRAMER BEHAVIOR PRODUCED BY INTERPRETATIONS OF TWO EARLIER METHODOLOGIES. WHILE SKINNERIAN PROGRAMING OFTEN HAS LED TO TRIVIAL PROGRAMS THROUGH PROBLEMS OF APPLICATION OF THE CRITERIA OF SPECIFIED BEHAVIORAL OBJECTIVES AND LOW ERROR RATES, CROWDERIAN PROGRAMING HAS…

  14. Behavior of the 0. 82 eV and other dominant electron traps in organometallic vapor phase epitaxial Al/sub x/Ga/sub 1-x/As

    SciTech Connect

    Matsumoto, T.; Bhattacharya, P.K.; Ludowise, M.J.

    1982-10-01

    Thermal emission and capture properties of three dominant electron traps in organometallic vapor phase epitaxial Al/sub x/Ga/sub 1-x/As have been studied by transient capacitance measurements. The traps have activation energies ..delta..E/sub T/ = 0.82 +- 0.01, 0.62 +- 0.02, and 0.38 +- 0.02 eV, which remain invariant with x. The thermal capture cross section of the traps, however, decreases with increasing x. These results, together with the annealing behavior of the traps, add more evidence to the fact that the 0.82-eV trap, commonly known as the EL2 center, is related to a Ga vacancy. The 0.82- and 0.38-eV traps exhibit barriers to electron capture approx.0.06--0.08 eV and the concentration of the 0.62- and 0.38-eV traps increases with increasing x.

  15. Electronic structures and abnormal phonon behaviors of cobalt-modified Na0.5Bi0.5TiO3-6%BaTiO3 single crystals

    NASA Astrophysics Data System (ADS)

    Huang, T.; Zhang, P.; Xu, L. P.; Chen, C.; Zhang, J. Z.; Hu, Z. G.; Luo, H. S.; Chu, J. H.

    2016-10-01

    Optical properties, electronic structures, and structural variations of x wt% cobalt (Co) doped Na0.5Bi0.5TiO3-6%BaTiO3 (x=0%, 0.5%, 0.8%) single crystals have been studied by temperature-dependent optical ellipsometry and Raman spectra from 250 to 650 K. Based on the temperature evolution of electronic transitions (Ecp1 and Ecp2) and the phonon modes involving Ti-O vibrations, two critical temperature points exhibit an increasing trend with Co dopants, which are related to structural variations for ferroelectric to anti-ferroelectric, and anti-ferroelectric to paraelectric transition, respectively. Additionally, distinguishing abnormal phonon behaviors can be observed from Raman spectra for the crystal of x=0.5% and 0.8%, which show reverse frequency shift of the modes involving Ti-O vibration. It can be ascribed to different relative concentration of Co2+ and Co3+ in the crystals, which has been confirmed by X-ray Photoelectron Spectroscopy data.

  16. Eu-MOFs with 2-(4-carboxyphenyl)imidazo[4,5-f]-1,10-phenanthroline and ditopic carboxylates as coligands: synthesis, structure, high thermostability, and luminescence properties.

    PubMed

    Zhang, Sheng; Yang, Yang; Xia, Zheng-Qiang; Liu, Xiang-Yu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, San-Ping; Gao, Sheng-Li

    2014-10-20

    Hydrothermal reactions of europium(III) salt with 2-(4-carboxyphenyl)imidazo[4,5-f]-1,10-phenanthroline and dicarboxylic acid as coligands-benzene-1,4-dicarboxylic acid, 4,4'-biphenyldicarboxylic acid, 2,5-dibromoterephthalic acid, and naphthalene-1,4-dicarboxylic acid-lead to four europium fluorescent materials (1-4). Structural analyses reveal that 1-4 have binuclear 3D metal-organic frameworks with different channels, void volumes, and conjugated structures tuned by ditopic carboxylates. There are no latticed and coordinated water molecules occurring in 1-3, while the free water molecules fill in 1D channels of 4. 4' was readily obtained via water removal of 4. Thermal analyses of all compounds show the high thermal stability of the main framework up to 450 °C. Optical studies indicate that 1-4 and 4' show the characteristic red luminescence emission of the Eu(III) ion in the visible regions at room temperature. On the basis of emission spectra, their luminescence lifetimes were determined. In particular, compound 4' shows a longer lifetime (τ = 0.942 ms) and significantly enhanced quantum yield (39%) compared with those of 1 (11%, 0.770 ms), 2 (4%, 0.414 ms), 3 (18%, 0.807 ms), and 4 (26%, 0.858 ms).

  17. A fluorescence lifetime-based binding assay for acetylpolyamine amidohydrolases from Pseudomonas aeruginosa using a [1,3]dioxolo[4,5-f][1,3]benzodioxole (DBD) ligand probe.

    PubMed

    Meyners, Christian; Wawrzinek, Robert; Krämer, Andreas; Hinz, Steffen; Wessig, Pablo; Meyer-Almes, Franz-Josef

    2014-08-01

    High-throughput assays for drug screening applications have to fulfill particular specifications. Besides the capability to identify even compounds with low potency, one of the major issues is to minimize the number of false-positive hits in a screening campaign in order to reduce the logistic effort for the subsequent cherry picking and confirmation procedure. In this respect, fluorescence lifetime (FLT) appears as an ideal readout parameter that is supposed to be robust against autofluorescent and light-absorbing compounds, the most common source of systematic false positives. The extraordinary fluorescence features of the recently discovered [1,3]dioxolo[4,5-f][1,3] benzodioxole dyes were exploited to develop an FLT-based binding assay with exceptionally robust readout. The assay setup was comprehensively validated and shown to comply not only with all requirements for a powerful high-throughput screening assay but also to be suitable to determine accurate binding constants for inhibitors against enzymes of the histone deacetylase family. Using the described binding assay, the first inhibitors against three members of this enzyme family from Pseudomonas aeruginosa were identified. The compounds were characterized in terms of potency and selectivity profile. The novel ligand probe should also be applicable to other homologues of the histone deacetylase family that are inhibited by N-hydroxy-N'-phenyloctandiamide.

  18. Accumulation of DNA adducts of 2-amino-3-methylimidazo[4,5-f] quinoline (IQ) in tissues and white blood cells of the Fischer-344 rat after multiple oral dosing.

    PubMed

    Schut, H A; Herzog, C R; Cummings, D A

    1994-07-01

    The genotoxic effect of an environmental chemical may be estimated from the concentration of its DNA adducts in peripheral white blood cells (WBCs). The food mutagen 2-amino-3-methylimidazo[4,5-f]quinoline (IQ) is carcinogenic in the Fischer-344 rat, affecting principally the liver, small intestine and large intestine. In the present study we have determined whether DNA adducts of IQ are present in circulating WBCs of rats after single or multiple oral doses of IQ and how these adducts are related to those in internal organs. Male Fischer-344 rats received IQ as an oral dose (5 or 50 mg/kg, starting on day 0) by daily gavage (1, 8 or 15 days of treatment). Using 32P-postlabeling assays, IQ-DNA adducts were isolated and quantitated in organs and WBCs on days 1, 8 and 15. Adduct patterns in WBCs were qualitatively similar to those in the organs and adduct formation was highest in the liver, followed by the lungs, kidneys, stomach, large intestine, WBC and small intestine. Accumulation of adducts occurred in all organs and in WBCs in a dose- and time-dependent manner. For all organs, IQ-DNA adduct formation was strongly correlated with those in WBCs. It is concluded that IQ-DNA adducts in WBCs are qualitatively and quantitatively directly related to those in internal organs, independent of the target organ specificity of the carcinogenic effect of IQ.

  19. Effect of low temperature vacuum annealing on microstructural, optical, electronic, electrical, nanomechanical properties and phase transition behavior of sputtered vanadium oxide thin films

    NASA Astrophysics Data System (ADS)

    Porwal, Deeksha; Esther, A. Carmel Mary; Dey, Arjun; Gupta, A. K.; Raghavendra Kumar, D.; Bera, Parthasarathi; Barshilia, Harish C.; Bhattacharya, Manjima; Mukhopadhyay, Anoop Kumar; Khan, Kallol; Sharma, Anand Kumar

    2016-10-01

    Vanadium oxide thin films were deposited on quartz substrate by pulsed RF magnetron sputtering technique at 400-600 W and subsequently annealed at 100 °C in vacuum (1.5 × 10-5 mbar). Phase analysis, surface morphology and topology of the films e.g., both as-deposited and annealed were investigated by x-ray diffraction, field emission scanning electron microscopy and atomic force microscopy techniques. X-ray photoelectron spectroscopy (XPS) was employed to understand the elemental oxidation of the films. Transmittance of the films was evaluated by UV-vis-NIR spectrophotometer in the wavelength range of 200-1600 nm. Sheet resistance of the films was measured by two-probe method both for as-deposited and annealed conditions. XPS study showed the existence of V5+ and V4+ species. Metal to insulator transition temperature of the as-deposited film decreased from 339 °C to 326 °C after annealing as evaluated by differential scanning calorimetric technique. A significant change in transmittance was observed in particular at near infrared region due to alteration of surface roughness and grain size of the film after annealing. Sheet resistance values of the annealed films decreased as compared to the as-deposited films due to the lower in oxidation state of vanadium which led to increase in carrier density. Combined nanoindentation and finite element modeling were applied to evaluate nanohardness (H), Young’s modulus (E), von Mises stress and strain distribution. Both H and E were improved after annealing due to increase in crystallinity of the film.

  20. The effect of a Ta oxygen scavenger layer on HfO2-based resistive switching behavior: Thermodynamic stability, electronic structure, and low-bias transport

    DOE PAGES

    Zhong, Xiaoliang; Rungger, Ivan; Zapol, Peter; ...

    2016-02-15

    Reversible resistive switching between high-resistance and low-resistance states in metal-oxide-metal heterostructures makes them very interesting for applications in random access memories. While recent experimental work has shown that inserting a metallic "oxygen scavenger layer'' between the positive electrode and oxide improves device performance, the fundamental understanding of how the scavenger layer modifies the heterostructure properties is lacking. We use density functional theory to calculate thermodynamic properties and conductance of TiN/HfO2/TiN heterostructures with and without a Ta scavenger layer. First, we show that Ta insertion lowers the formation energy of low-resistance states. Second, while the Ta scavenger layer reduces the Schottkymore » barrier height in the high-resistance state by modifying the interface charge at the oxide-electrode interface, the heterostructure maintains a high resistance ratio between high-and low-resistance states. Lastly, we show that the low-bias conductance of device on-states becomes much less sensitive to the spatial distribution of oxygen removed from the HfO2 in the presence of the Ta layer. By providing a fundamental understanding of the observed improvements with scavenger layers, we open a path to engineer interfaces with oxygen scavenger layers to control and enhance device performance. In turn, this may enable the realization of a non-volatile low-power memory technology with concomitant reduction in energy consumption by consumer electronics and offering significant benefits to society.« less

  1. Electrons, Electronic Publishing, and Electronic Display.

    ERIC Educational Resources Information Center

    Brownrigg, Edwin B.; Lynch, Clifford A.

    1985-01-01

    Provides a perspective on electronic publishing by distinguishing between "Newtonian" publishing and "quantum-mechanical" publishing. Highlights include media and publishing, works delivered through electronic media, electronic publishing and the printed word, management of intellectual property, and recent copyright-law issues…

  2. Comprehensive study of the electronic and optical behavior of highly degenerate p-type Mg-doped GaN and AlGaN

    SciTech Connect

    Gunning, Brendan P.; Fabien, Chloe A. M.; Merola, Joseph J.; Clinton, Evan A.; Doolittle, W. Alan; Wang, Shuo; Fischer, Alec M.; Ponce, Fernando A.

    2015-01-28

    The bulk and 2-dimensional (2D) electrical transport properties of heavily Mg-doped p-type GaN films grown on AlN buffer layers by Metal Modulated Epitaxy are explored. Distinctions are made between three primary p-type conduction mechanisms: traditional valence band conduction, impurity band conduction, and 2D conduction within a 2D hole gas at a hetero-interface. The bulk and 2D contributions to the overall carrier transport are identified and the relative contributions are found to vary strongly with growth conditions. Films grown with III/V ratio less than 1.5 exhibit high hole concentrations exceeding 2 × 10{sup 19} cm{sup −3} with effective acceptor activation energies of 51 meV. Films with III/V ratios greater than 1.5 exhibit lower overall hole concentrations and significant contributions from 2D transport at the hetero-interface. Films grown with III/V ratio of 1.2 and Mg concentrations exceeding 2 × 10{sup 20} cm{sup −3} show no detectable inversion domains or Mg precipitation. Highly Mg-doped p-GaN and p-AlGaN with Al fractions up to 27% similarly exhibit hole concentrations exceeding 2 × 10{sup 19} cm{sup −3}. The p-GaN and p-Al{sub 0.11}Ga{sub 0.89}N films show broad ultraviolet (UV) photoluminescence peaks, which intercept the valence band, supporting the presence of a Mg acceptor band. Finally, a multi-quantum-well light-emitting diode (LED) and p-i-n diode are grown, both of which demonstrate rectifying behavior with turn-on voltages of 3–3.5 V and series resistances of 6–10 Ω without the need for any post-metallization annealing. The LED exhibits violet-blue luminescence at 425 nm, while the p-i-n diode shows UV luminescence at 381 nm, and both devices still show substantial light emission even when submerged in liquid nitrogen at 77 K.

  3. Comprehensive study of the electronic and optical behavior of highly degenerate p-type Mg-doped GaN and AlGaN

    SciTech Connect

    Gunning, BP; Fabien, CAM; Merola, JJ; Clinton, EA; Doolittle, WA; Wang, S; Fischer, AM; Ponce, FA

    2015-01-28

    The bulk and 2-dimensional (2D) electrical transport properties of heavily Mg-doped p-type GaN films grown on AlN buffer layers by Metal Modulated Epitaxy are explored. Distinctions are made between three primary p-type conduction mechanisms: traditional valence band conduction, impurity band conduction, and 2D conduction within a 2D hole gas at a hetero-interface. The bulk and 2D contributions to the overall carrier transport are identified and the relative contributions are found to vary strongly with growth conditions. Films grown with III/V ratio less than 1.5 exhibit high hole concentrations exceeding 2 x 10(19) cm(-3) with effective acceptor activation energies of 51 meV. Films with III/V ratios greater than 1.5 exhibit lower overall hole concentrations and significant contributions from 2D transport at the hetero-interface. Films grown with III/V ratio of 1.2 and Mg concentrations exceeding 2 x 10(20) cm(-3) show no detectable inversion domains or Mg precipitation. Highly Mg-doped p-GaN and p-AlGaN with Al fractions up to 27% similarly exhibit hole concentrations exceeding 2 x 10(19) cm(-3). The p-GaN and p-Al0.11Ga0.89N films show broad ultraviolet (UV) photoluminescence peaks, which intercept the valence band, supporting the presence of a Mg acceptor band. Finally, a multi-quantum-well light-emitting diode (LED) and p-i-n diode are grown, both of which demonstrate rectifying behavior with turn-on voltages of 3-3.5V and series resistances of 6-10 Omega without the need for any post-metallization annealing. The LED exhibits violet-blue luminescence at 425 nm, while the p-i-n diode shows UV luminescence at 381 nm, and both devices still show substantial light emission even when submerged in liquid nitrogen at 77 K. (C) 2015 AIP Publishing LLC.

  4. Magnetic and electronic properties of NpRhGe

    NASA Astrophysics Data System (ADS)

    Colineau, E.; Sanchez, J. P.; Wastin, F.; Javorský, P.; Riffaud, E.; Homma, Y.; Boulet, P.; Rebizant, J.

    2008-06-01

    NpRhGe is the neptunium homologue of the ferromagnetic superconductor URhGe, and has been investigated using magnetization, electrical resistivity, specific heat and 237Np Mössbauer spectroscopy. NpRhGe exhibits antiferromagnetic ordering below TN≈21 K with an ordered magnetic moment μNp = 1.14 μB. The value of the isomer shift suggests a Np3+ charge state (configuration 5f4) and possible delocalization of the 5f electrons. The Brillouin-like (J = 1/2) thermal variation of the magnetic hyperfine field indicates that a doublet ground state of the neptunium ion may occur in this compound. The specific heat indicates a high Sommerfeld coefficient value for NpRhGe (195 mJ mol-1 K-2).

  5. Total cross section of electron scattering by fluorocarbon molecules

    NASA Astrophysics Data System (ADS)

    Yamada, T.; Ushiroda, S.; Kondo, Y.

    2008-12-01

    A compact linear electron transmission apparatus was used for the measurement of the total electron scattering cross section at 4-500 eV. Total cross sections of chlorofluorocarbon (CCl2F2), hydrochlorofluorocarbon (CHClF2), perfluoropropane (C3F8), perfluoro-n-pentane (C5F12), perfluoro-n-hexane (C6F14) and perfluoro-n-octane (C8F18) were obtained experimentally and compared with the values obtained from a theoretical calculation and semi-empirical model calculation.

  6. Rate coefficients for the reaction of O(1D) with the atmospherically long-lived greenhouse gases NF3, SF3CF3, CHF3, C2F6, c-C3F8, n-C5F12, and n-C6F14

    NASA Astrophysics Data System (ADS)

    Baasandorj, M.; Hall, B. D.; Burkholder, J. B.

    2012-09-01

    The contribution of atmospherically persistent (long-lived) greenhouse gases to the radiative forcing of Earth has increased over the past several decades. The impact of highly fluorinated saturated compounds, in particular perfluorinated compounds, on climate change is a concern because of their long atmospheric lifetimes, which are primarily determined by stratospheric loss processes, as well as their strong absorption in the infrared "window" region. A potentially key stratospheric loss process for these compounds is their gas-phase reaction with electronically excited oxygen atoms, O(1D). Therefore, accurate reaction rate coefficient data is desired for input to climate change models. In this work, rate coefficients, k, were measured for the reaction of O(1D) with several key long-lived greenhouse gases, namely NF3, SF5CF3, CHF3 (HFC-23), C2F6, c-C4F8, n-C5F12, and n-C6F14. Room temperature rate coefficients for the total reaction, kTot, corresponding to loss of O(1D), and reactive channel, kR, corresponding to the loss of the reactant compound, were measured for NF3 and SF5CF3 using competitive reaction and relative rate methods, respectively. kR was measured for the CHF3 reaction and improved upper-limits were determined for the perfluorinated compounds included in this study. For NF3, kTot was determined to be (2.55 ± 0.38) × 10-11 cm3 molecule-1 s-1 and kR, which was measured using CF3Cl, N2O, CF2ClCF2Cl (CFC-114), and CF3CFCl2 (CFC-114a) as reference compounds, was determined to be (2.21 ± 0.33) × 10-11 cm3 molecule-1 s-1 corresponding to a reactive branching ratio of 0.87 ± 0.13. For SF5CF3, kTot = (3.24 ± 0.50) × 10-13 cm3 molecule-1 s-1 and kR < 5.8 × 10-14 cm3 molecule-1 s-1 were measured, where kR is a factor of three lower than the current recommendation of kTot for use in atmospheric modeling. For CHF3, kR was determined to be (2.35 ± 0.35) × 10-12 cm3 molecule-1 s-1, which corresponds to a reactive channel yield of 0.26 ± 0.04, and

  7. Optimizing the Electron-Withdrawing Character on Benzenesulfonyl Moiety Attached to a Glyco-Conjugate to Impart Sensitive and Selective Sensing of Cyanide in HEPES Buffer and on Cellulose Paper and Silica Gel Strips.

    PubMed

    Areti, Sivaiah; Bandaru, Sateesh; Yarramala, Deepthi S; Rao, Chebrolu Pulla

    2015-12-15

    Dansyl-derivatized, triazole-linked, glucopyranosyl conjugates, (5F)LOH, (2F)LOH, (1F)LOH, and (0F)LOH were synthesized and characterized. While the (5F)LOH acts as a molecular probe for CN(-), (2F)LOH, (1F)LOH, and (0F)LOH acts as control molecules. The reactivity of CN(-) toward (5F)LOH has been elicited through the changes observed in NMR, ESI MS, emission, and absorption spectroscopy. The conjugate (5F)LOH releases a fluorescent product upon reaction by CN(-) in aqueous acetonitrile medium by exhibiting an ∼125-fold fluorescence enhancement even in the presence of other anions. Fluorescence switch-on behavior has been clearly demonstrated on the basis of the nucleophilic substitution reaction of CN(-) on (5F)LOH. A minimum detection limit of (2.3 ± 0.3) × 10(-7) M (6 ± 1 ppb) was shown by (5F)LOH for CN(-) in solution. All the other anions studied showed no change in the fluorescence emission. The utility of (5F)LOH has been demonstrated by showing its reactivity toward CN(-) on a thin layer of silica gel as well as on Whatman No. 1 cellulose filter paper strips. The role of glucose moiety and the penta-fluorobenzenesulfonyl reactive center present in (5F)LOH in the selectivity of CN(-) over other anions has been demonstrated by fluorescence, absorption and thermodynamics study. Similar studies carried out with the control molecules showed no selectivity for CN(-). The mechanistic aspects of the reactivity of CN(-) toward (5F)LOH were supported by DFT computational study.

  8. Materials science through electron microscopy

    NASA Astrophysics Data System (ADS)

    Fujita, Hiroshi

    1992-03-01

    Electron microscopy has greatly contributed as a powerful tool in both the characterization and identification of materials in the atomic scale. In these contributions, the most important advantage is it's ability for dynamic study of phenomena, i.e., in situ experiments. This research has been carried out using high voltage electron microscopes, but some results have been obtained with high resolution electron microscopes under critical conditions. Electron microscopy has been improved further to become an indispensable ?Micro-Laboratory? in which formation of various advance materials can also be carried out precisely in the atomic scale. Electron beam science and engineering is a typical example in this research field, and detailed processes of crystalline-amorphous transition and electron irradiation induced foreign atom implantation have been clarified by this method. Recently, new applications to the research fields of non-linear material behavior, such as the behavior of atom clusters and the role of electric dipoles on diffusion, have been carried out.

  9. Electron clusters in inert gases.

    PubMed

    Nazin, S; Shikin, V

    2008-10-17

    This Letter addresses the counterintuitive behavior of electrons injected into dense cryogenic media with negative scattering length L. Instead of strongly reduced mobility at all but the lowest densities due to the polaronic effect involving the formation of density enhancement clusters (expected in the theory with a simple gas-electron interaction successfully applied earlier to electrons in helium where L>0) which should substantially decrease the electron mobility, an opposite picture is observed: with increasing |L| (the trend taking place for inert gases with the growth of atomic number) and the gas density, the electrons remain practically free. An explanation of this behavior is provided based on consistent accounting for the nonlinearity of the electron interaction with the gaseous medium in the gas atom number density.

  10. Base-Displaced Intercalated Conformation of the 2-Amino-3-methylimidazo[4,5-f]quinoline N(2)-dG DNA Adduct Positioned at the Nonreiterated G(1) in the NarI Restriction Site.

    PubMed

    Stavros, Kallie M; Hawkins, Edward K; Rizzo, Carmelo J; Stone, Michael P

    2015-07-20

    The conformation of an N(2)-dG adduct arising from the heterocyclic amine 2-amino-3-methylimidazo[4,5-f]quinoline (IQ), a potent food mutagen, was determined in 5'-d(C(1)T(2)C(3)X(4)G(5)C(6)G(7)C(8)C(9)A(10)T(11)C(12))-3':5'-d(G(13)A(14)T(15)G(16)G(17)C(18)G(19)C(20)C(21)G(22)A(23)G(24))-3'; X = N(2)-dG-IQ, in which the modified nucleotide X(4) corresponds to G(1) in the 5'-d(G(1)G(2)CG(3)CC)-3' NarI restriction endonuclease site. Circular dichroism (CD) revealed blue shifts relative to the unmodified duplex, consistent with adduct-induced twisting, and a hypochromic effect for the IQ absorbance in the near UV region. NMR revealed that the N(2)-dG-IQ adduct adopted a base-displaced intercalated conformation in which the modified guanine remained in the anti conformation about the glycosidic bond, the IQ moiety intercalated into the duplex, and the complementary base C(21) was displaced into the major groove. The processing of the N(2)-dG-IQ lesion by hpol η is sequence-dependent; when placed at the reiterated G(3) position, but not at the G(1) position, this lesion exhibits a propensity for frameshift replication [Choi, J. Y., et al. (2006) J. Biol. Chem., 281, 25297-25306]. The structure of the N(2)-dG-IQ adduct at the nonreiterated G(1) position was compared to that of the same adduct placed at the G(3) position [Stavros, K. M., et al. (2014) Nucleic Acids Res., 42, 3450-3463]. CD indicted minimal spectral differences between the G(1) vs G(3) N(2)-dG-IQ adducts. NMR indicated that the N(2)-dG-IQ adduct exhibited similar base-displaced intercalated conformations at both the G(1) and G(3) positions. This result differed as compared to the corresponding C8-dG-IQ adducts placed at the same positions. The C8-dG-IQ adduct adopted a minor groove conformation when placed at position G(1) but a base-displaced intercalated conformation when placed at position G(3) in the NarI sequence. The present studies suggest that differences in lesion bypass by hpol η may be

  11. Base-Displaced Intercalated Conformation of the 2-Amino-3-methylimidazo[4,5-f]quinoline N2-dG DNA Adduct Positioned at the Nonreiterated G1 in the NarI Restriction Site

    PubMed Central

    2016-01-01

    The conformation of an N2-dG adduct arising from the heterocyclic amine 2-amino-3-methylimidazo[4,5-f]quinoline (IQ), a potent food mutagen, was determined in 5′-d(C1T2C3X4G5C6G7C8C9A10T11C12)-3′:5′-d(G13A14T15G16G17C18G19C20C21G22A23G24)-3′; X = N2-dG-IQ, in which the modified nucleotide X4 corresponds to G1 in the 5′-d(G1G2CG3CC)-3′ NarI restriction endonuclease site. Circular dichroism (CD) revealed blue shifts relative to the unmodified duplex, consistent with adduct-induced twisting, and a hypochromic effect for the IQ absorbance in the near UV region. NMR revealed that the N2-dG-IQ adduct adopted a base-displaced intercalated conformation in which the modified guanine remained in the anti conformation about the glycosidic bond, the IQ moiety intercalated into the duplex, and the complementary base C21 was displaced into the major groove. The processing of the N2-dG-IQ lesion by hpol η is sequence-dependent; when placed at the reiterated G3 position, but not at the G1 position, this lesion exhibits a propensity for frameshift replication [Choi, J. Y., et al. (2006) J. Biol. Chem., 281, 25297–25306]. The structure of the N2-dG-IQ adduct at the nonreiterated G1 position was compared to that of the same adduct placed at the G3 position [Stavros, K. M., et al. (2014) Nucleic Acids Res., 42, 3450–3463]. CD indicted minimal spectral differences between the G1 vs G3N2-dG-IQ adducts. NMR indicated that the N2-dG-IQ adduct exhibited similar base-displaced intercalated conformations at both the G1 and G3 positions. This result differed as compared to the corresponding C8-dG-IQ adducts placed at the same positions. The C8-dG-IQ adduct adopted a minor groove conformation when placed at position G1 but a base-displaced intercalated conformation when placed at position G3 in the NarI sequence. The present studies suggest that differences in lesion bypass by hpol η may be mediated by differences in the 3′-flanking sequences, perhaps modulating the ability

  12. Electronics Curriculum.

    ERIC Educational Resources Information Center

    Prickett, Charlotte

    This document presents results of research conducted by industry representatives regarding tasks performed by electronic technicians and line manufacturing electro-mechanical technicians in Arizona electronics industries. Based on this research, a competency-based curriculum was developed for training entry-level electronics technicians. Twelve…

  13. Electronic Prescribing

    MedlinePlus

    ... Do you prescribe electronically?” For more information about electronic prescribing, call 1-800-MEDICARE (1-800-633- ... TTY users should call 1-877-486-2048 . Electronic eRx Prescribing I went to the pharmacy, and ...

  14. Unusual behavior of uranium dioxide at high magnetic fields. Part II*

    NASA Astrophysics Data System (ADS)

    Jaime, M.; Gofryk, K.; Zapf, V.; Harrison, N.; Saul, A.; Radtke, G.; Lashley, J. C.; Salamon, M.; Andersson, A. D.; Stanek, C.; Durakiewicz, T.; Smith, J. L.

    More than 65 years worth of unrelenting experimental and theoretical research on seemingly uncomplicated UO2, a Mott-Hubbard insulator with well-localized 5 f - electrons and a fluorite fcc crystal structure, have not been able to elucidate some important questions such as the detailed nature of the low temperature AFM state, or the reasons behind unusual lattice properties that severely hinder the ability of this important nuclear material to transport heat. The high thermal conductivity shown by its non-magnetic counterpart, ThO2, has hinted to the notion that unusual spin-lattice coupling is behind the crippled thermal behavior of UO2. Here we present results of our thermodynamic investigations, on well-characterized and oriented single crystals,focusing on fiber Bragg grating magnetostriction measurements in pulsed magnetic fields to 90T at the NHMFL PFF. Our data support a multidomain non-collinear 3-k AFM order below 30.8K, coupled to an oxygen-cage trigonal distortion that breaks time reversal symmetry. *Work supported by the US DOE BES, Mat. Sci., and Eng. Div. The NHMFL PFF is supported by the NSF, the U.S. DOE., and the State of Florida through NSF coop. Grant DMR-1157490. Work at LANL was supported by the U.S. DOE BES project ''Science at 100 Tesla''.

  15. Electronic transitions, crystal field effects and phonons in UO 2

    NASA Astrophysics Data System (ADS)

    Schoenes, J.

    1980-08-01

    An extensive optical study of the 5f magnetic semiconductor UO 2 is presented. The experimental data include near normal incidence reflectivity measurements from 0.0025 to 13 eV, absorption and Faraday rotation measurements as function of temperature and of magnetic fields up to 100 kOe and photoemission results. From the data in the fundamental absorption region an energy level scheme is derived. This level scheme differs markedly from an earlier model but it is quantitatively supported by a calculation using the thermochemical Haber-Born process and also by cluster calculations. The localized nature of the 5f electrons is demonstrated. The absorption edge at 2 eV shows an abrupt shift to lower energies at the first order phase transition of UO 2 to the antiferromagnetic state. This shift is shown to be larger than expected from the lattice contraction indicating a magnetic order induced contribution to the total red shift. Below the absorption edge, intra-5f transitions and multiphonon excitations are reported, showing striking order induced effects at and below TN = 30.8 K. New results are presented for ε st, ε opt, ω TO and ω LO which fulfill the Lyddane-Sachs-Teller relation.

  16. Behavioral dermatology.

    PubMed

    Virga, Vint

    2003-03-01

    The practice of behavioral dermatology encompasses the management of any dermatologic condition for which there is a substantial behavioral or emotional component. Commonly recognized behavioral dermatoses such as acral lick dermatitis, psychogenic alopecia, and hyperesthesia are syndromes rather than discrete diagnoses. Successful patient management is dependent upon integrating physiological, social, and environmental factors which contribute to the clinical manifestation of behavioral dermatoses.

  17. Electronic Stability Control

    DTIC Science & Technology

    2013-12-05

    TYPE Final 3. DATES COVERED (From - To) 4. TITLE AND SUBTITLE Test Operations Procedure (TOP) 02-2-718 Electronic Stability Control 5a...h. Digital video camera to record all test events to observe wheel lift and overall vehicle behavior and any test failures . 3. REQUIRED TEST...government, as well as reports of previous similar tests on the same types of vehicles. b. Obtain copies of and review relevant Federal Motor Vehicle

  18. Coulomb-tail effect of electron-electron interaction on nonsequential double ionization

    NASA Astrophysics Data System (ADS)

    Zhou, Yueming; Huang, Cheng; Lu, Peixiang

    2011-08-01

    With the classical ensemble model, we investigate the manifestations of the Coulomb tail of electron-electron interaction in nonsequential double ionization by comparing the results from the short-range electron-electron interaction with those from the Coulombic electron-electron interaction. At the intensity below the recollision threshold, the two-electron momentum distributions in the direction parallel to the laser polarization show an anticorrelated behavior for the Coulombic electron-electron interaction while a correlated behavior for the short-range interaction, which indicates the responsibility of the Coulomb tail of the electron-electron interaction for the experimentally observed anticorrelated emission [Y. Liu, S. Tschuch, A. Rudenko, M. Durr, M. Siegel, U. Morgner, R. Moshammer, and J. Ullrich, Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.101.053001 101, 053001 (2008)]. In the transverse direction, for the Coulombic electron-electron interaction, the two electrons exhibit no effect of repulsion at an intensity below the recollision threshold while a strong repulsion effect at an intensity above the threshold, which becomes weaker as the laser intensity further increases. Back analysis shows that the role of the Coulomb tail of electron-electron interaction leads asymmetric energy sharing (AES) to be prevalent at recollision. This AES results in the two electrons leaving the ion at different times or with different initial momenta, which is responsible for the anticorrelated behavior in the parallel direction and the intensity-dependent repulsion effect in the transverse direction.

  19. Coulomb-tail effect of electron-electron interaction on nonsequential double ionization

    SciTech Connect

    Zhou Yueming; Huang Cheng; Lu Peixiang

    2011-08-15

    With the classical ensemble model, we investigate the manifestations of the Coulomb tail of electron-electron interaction in nonsequential double ionization by comparing the results from the short-range electron-electron interaction with those from the Coulombic electron-electron interaction. At the intensity below the recollision threshold, the two-electron momentum distributions in the direction parallel to the laser polarization show an anticorrelated behavior for the Coulombic electron-electron interaction while a correlated behavior for the short-range interaction, which indicates the responsibility of the Coulomb tail of the electron-electron interaction for the experimentally observed anticorrelated emission [Y. Liu, S. Tschuch, A. Rudenko, M. Durr, M. Siegel, U. Morgner, R. Moshammer, and J. Ullrich, Phys. Rev. Lett. 101, 053001 (2008)]. In the transverse direction, for the Coulombic electron-electron interaction, the two electrons exhibit no effect of repulsion at an intensity below the recollision threshold while a strong repulsion effect at an intensity above the threshold, which becomes weaker as the laser intensity further increases. Back analysis shows that the role of the Coulomb tail of electron-electron interaction leads asymmetric energy sharing (AES) to be prevalent at recollision. This AES results in the two electrons leaving the ion at different times or with different initial momenta, which is responsible for the anticorrelated behavior in the parallel direction and the intensity-dependent repulsion effect in the transverse direction.

  20. Electronic Photography

    NASA Technical Reports Server (NTRS)

    Payne, Meredith Lindsay

    1995-01-01

    The main objective was to assist in the production of electronic images in the Electronic Photography Lab (EPL). The EPL is a new facility serving the electronic photographic needs of the Langley community. The purpose of the Electronic Photography lab is to provide Langley with access to digital imaging technology. Although the EPL has been in operation for less than one year, almost 1,000 images have been produced. The decision to establish the lab was made after careful determination of the centers needs for electronic photography. The LaRC community requires electronic photography for the production of electronic printing, Web sites, desktop publications, and its increased enhancement capabilities. In addition to general use, other considerations went into the planning of the EPL. For example, electronic photography is much less of a burden on the environment compared to conventional photography. Also, the possibilities of an on-line database and retrieval system could make locating past work more efficient. Finally, information in an electronic image is quantified, making measurements and calculations easier for the researcher.

  1. Electron Bifurcation

    SciTech Connect

    Peters, John W.; Miller, Anne-Frances; Jones, Anne K.; King, Paul W.; Adams, Michael W. W.

    2016-04-01

    Electron bifurcation is the recently recognized third mechanism of biological energy conservation. It simultaneously couples exergonic and endergonic oxidation-reduction reactions to circumvent thermodynamic barriers and minimize free energy loss. Little is known about the details of how electron bifurcating enzymes function, but specifics are beginning to emerge for several bifurcating enzymes. To date, those characterized contain a collection of redox cofactors including flavins and iron-sulfur clusters. Here we discuss the current understanding of bifurcating enzymes and the mechanistic features required to reversibly partition multiple electrons from a single redox site into exergonic and endergonic electron transfer paths.

  2. Microfluidic electronics.

    PubMed

    Cheng, Shi; Wu, Zhigang

    2012-08-21

    Microfluidics, a field that has been well-established for several decades, has seen extensive applications in the areas of biology, chemistry, and medicine. However, it might be very hard to imagine how such soft microfluidic devices would be used in other areas, such as electronics, in which stiff, solid metals, insulators, and semiconductors have previously dominated. Very recently, things have radically changed. Taking advantage of native properties of microfluidics, advances in microfluidics-based electronics have shown great potential in numerous new appealing applications, e.g. bio-inspired devices, body-worn healthcare and medical sensing systems, and ergonomic units, in which conventional rigid, bulky electronics are facing insurmountable obstacles to fulfil the demand on comfortable user experience. Not only would the birth of microfluidic electronics contribute to both the microfluidics and electronics fields, but it may also shape the future of our daily life. Nevertheless, microfluidic electronics are still at a very early stage, and significant efforts in research and development are needed to advance this emerging field. The intention of this article is to review recent research outcomes in the field of microfluidic electronics, and address current technical challenges and issues. The outlook of future development in microfluidic electronic devices and systems, as well as new fabrication techniques, is also discussed. Moreover, the authors would like to inspire both the microfluidics and electronics communities to further exploit this newly-established field.

  3. Paper electronics.

    PubMed

    Tobjörk, Daniel; Österbacka, Ronald

    2011-05-03

    Paper is ubiquitous in everyday life and a truly low-cost substrate. The use of paper substrates could be extended even further, if electronic applications would be applied next to or below the printed graphics. However, applying electronics on paper is challenging. The paper surface is not only very rough compared to plastics, but is also porous. While this is detrimental for most electronic devices manufactured directly onto paper substrates, there are also approaches that are compatible with the rough and absorptive paper surface. In this review, recent advances and possibilities of these approaches are evaluated and the limitations of paper electronics are discussed.

  4. Communications Electronics.

    ERIC Educational Resources Information Center

    Vorderstrasse, Ron; Siebert, Leo

    This module is the third in a series of electronics publications and serves as a supplement to "General Electronics Technician." It is designed to provide students with an overview of the broad field of communications. Included are those tasks above the basic skills level that allow students to progress to a higher level of competency in the…

  5. Printed Electronics

    NASA Technical Reports Server (NTRS)

    Crain, John M. (Inventor); Lettow, John S. (Inventor); Aksay, Ilhan A. (Inventor); Korkut, Sibel (Inventor); Chiang, Katherine S. (Inventor); Chen, Chuan-Hua (Inventor); Prud'Homme, Robert K. (Inventor)

    2015-01-01

    Printed electronic device comprising a substrate onto at least one surface of which has been applied a layer of an electrically conductive ink comprising functionalized graphene sheets and at least one binder. A method of preparing printed electronic devices is further disclosed.

  6. Printed Electronics

    NASA Technical Reports Server (NTRS)

    Crain, John M. (Inventor); Lettow, John S. (Inventor); Aksay, Ilhan A. (Inventor); Korkut, Sibel A. (Inventor); Chiang, Katherine S. (Inventor); Chen, Chuan-Hua (Inventor); Prud'Homme, Robert K. (Inventor)

    2014-01-01

    Printed electronic device comprising a substrate onto at least one surface of which has been applied a layer of an electrically conductive ink comprising functionalized graphene sheets and at least one binder. A method of preparing printed electronic devices is further disclosed.

  7. Printed electronics

    NASA Technical Reports Server (NTRS)

    Crain, John M. (Inventor); Lettow, John S. (Inventor); Aksay, Ilhan A. (Inventor); Korkut, Sibel A. (Inventor); Chiang, Katherine S. (Inventor); Chen, Chuan-hua (Inventor); Prud'Homme, Robert K. (Inventor)

    2012-01-01

    Printed electronic device comprising a substrate onto at least one surface of which has been applied a layer of an electrically conductive ink comprising functionalized graphene sheets and at least one binder. A method of preparing printed electronic devices is further disclosed.

  8. Printed Electronics

    NASA Technical Reports Server (NTRS)

    Crain, John M. (Inventor); Lettow, John S. (Inventor); Aksay, Ilhan A. (Inventor); Korkut, Sibel (Inventor); Chiang, Katherine S. (Inventor); Chen, Chuan-Hua (Inventor); Prud'Homme, Robert K. (Inventor)

    2016-01-01

    Printed electronic device comprising a substrate onto at least one surface of which has been applied a layer of an electrically conductive ink comprising functionalized graphene sheets and at least one binder. A method of preparing printed electronic devices is further disclosed.

  9. Electronic Cereal.

    ERIC Educational Resources Information Center

    Frentrup, Julie R.; Phillips, Donald B.

    1996-01-01

    Describes activities that use Froot Loops breakfast cereal to help students master the concepts of valence electrons and chemical bonding and the implications of the duet and octet rules. Involves students working in groups to create electron dot structures for various compounds. (JRH)

  10. Electron quantum optics as quantum signal processing

    NASA Astrophysics Data System (ADS)

    Roussel, B.; Cabart, C.; Fève, G.; Thibierge, E.; Degiovanni, P.

    2017-03-01

    The recent developments of electron quantum optics in quantum Hall edge channels have given us new ways to probe the behavior of electrons in quantum conductors. It has brought new quantities called electronic coherences under the spotlight. In this paper, we explore the relations between electron quantum optics and signal processing through a global review of the various methods for accessing single- and two-electron coherences in electron quantum optics. We interpret electron quantum optics interference experiments as analog signal processing converting quantum signals into experimentally observable quantities such as current averages and correlations. This point of view also gives us a procedure to obtain quantum information quantities from electron quantum optics coherences. We illustrate these ideas by discussing two mode entanglement in electron quantum optics. We also sketch how signal processing ideas may open new perspectives for representing electronic coherences in quantum conductors and understand the properties of the underlying many-body electronic state.

  11. Femtosecond time-resolved MeV electron diffraction

    DOE PAGES

    Zhu, Pengfei; Zhu, Y.; Hidaka, Y.; ...

    2015-06-02

    We report the experimental demonstration of femtosecond electron diffraction using high-brightness MeV electron beams. High-quality, single-shot electron diffraction patterns for both polycrystalline aluminum and single-crystal 1T-TaS2 are obtained utilizing a 5 fC (~3 × 104 electrons) pulse of electrons at 2.8 MeV. The high quality of the electron diffraction patterns confirms that electron beam has a normalized emittance of ~50 nm rad. The transverse and longitudinal coherence length is ~11 and ~2.5 nm, respectively. The timing jitter between the pump laser and probe electron beam was found to be ~100 fs (rms). The temporal resolution is demonstrated by observing themore » evolution of Bragg and superlattice peaks of 1T-TaS2 following an 800 nm optical pump and was found to be 130 fs. Lastly, our results demonstrate the advantages of MeV electrons, including large elastic differential scattering cross-section and access to high-order reflections, and the feasibility of ultimately realizing below 10 fs time-resolved electron diffraction.« less

  12. Femtosecond time-resolved MeV electron diffraction

    SciTech Connect

    Zhu, Pengfei; Zhu, Y.; Hidaka, Y.; Wu, L.; Cao, J.; Berger, H.; Geck, J.; Kraus, R.; Pjerov, S.; Shen, Y.; Tobey, R. I.; Hill, J. P.; Wang, X. J.

    2015-06-02

    We report the experimental demonstration of femtosecond electron diffraction using high-brightness MeV electron beams. High-quality, single-shot electron diffraction patterns for both polycrystalline aluminum and single-crystal 1T-TaS2 are obtained utilizing a 5 fC (~3 × 104 electrons) pulse of electrons at 2.8 MeV. The high quality of the electron diffraction patterns confirms that electron beam has a normalized emittance of ~50 nm rad. The transverse and longitudinal coherence length is ~11 and ~2.5 nm, respectively. The timing jitter between the pump laser and probe electron beam was found to be ~100 fs (rms). The temporal resolution is demonstrated by observing the evolution of Bragg and superlattice peaks of 1T-TaS2 following an 800 nm optical pump and was found to be 130 fs. Lastly, our results demonstrate the advantages of MeV electrons, including large elastic differential scattering cross-section and access to high-order reflections, and the feasibility of ultimately realizing below 10 fs time-resolved electron diffraction.

  13. A review of different behavior modification strategies designed to reduce sedentary screen behaviors in children.

    PubMed

    Steeves, Jeremy A; Thompson, Dixie L; Bassett, David R; Fitzhugh, Eugene C; Raynor, Hollie A

    2012-01-01

    Previous research suggests that reducing sedentary screen behaviors may be a strategy for preventing and treating obesity in children. This systematic review describes strategies used in interventions designed to either solely target sedentary screen behaviors or multiple health behaviors, including sedentary screen behaviors. Eighteen studies were included in this paper; eight targeting sedentary screen behaviors only, and ten targeting multiple health behaviors. All studies used behavior modification strategies for reducing sedentary screen behaviors in children (aged 1-12 years). Nine studies only used behavior modification strategies, and nine studies supplemented behavior modification strategies with an electronic device to enhance sedentary screen behaviors reductions. Many interventions (50%) significantly reduced sedentary screen behaviors; however the magnitude of the significant reductions varied greatly (-0.44 to -3.1 h/day) and may have been influenced by the primary focus of the intervention, number of behavior modification strategies used, and other tools used to limit sedentary screen behaviors.

  14. IMPORTANCE OF FULL COULOMB INTERACTIONS FOR UNDERSTANDING THE ELECTRONIC STRUCTURE OF DELTA-Pu

    SciTech Connect

    Gorelov, E; Kolorenc, J; Wehling, T; Hafermann, H; Lichtenstein, A I; Shick, A B; Rubtsov, A N; Katsnelson, M I; Landa, A; McMahan, A K

    2010-04-01

    The solid-state properties of most elements are now well understood on the basis of quantum physics - with few exceptions, notably the element number 94, plutonium. Plutonium has six crystalline phases at ambient pressure, some of which are separated by unusual phase transitions with large discontinuities in volume, exhibit negative thermal expansion coefficients, or form exotic low-symmetry structures. The main challenge to explain these anomalous properties is that the characteristic ingredient of actinides, the 5f electronic states, are in the cross-over regime between the localized and delocalized (itinerant) behaviour in Pu. The early part of the actinide series with the 5f states being itinerant, i.e. part of the metallic bond, culminates with Pu; starting with Am (Z = 95), the 5f states are localized, nonbonding, and resemble the 4f states in lanthanides. Both itinerant and localized regimes are well covered by existing theories, but they cannot be simply interpolated due to the importance of dynamical electron-electron correlations. Here we present accurate quantum Monte Carlo calculations achieving previously inaccessible resolution. Obtained results demonstrate that interplay of the full Coulomb interaction vertex with spin-orbital coupling is crucial for understanding the experimentally observed spectral properties of plutonium near the Fermi level.

  15. Electronic neuroprocessors

    NASA Technical Reports Server (NTRS)

    Thakoor, Anil

    1991-01-01

    The JPL Center for Space Microelectronics Technology (CSMT) is actively pursuing research in the neural network theory, algorithms, and electronics as well as optoelectronic neural net hardware implementations, to explore the strengths and application potential for a variety of NASA, DoD, as well as commercial application problems, where conventional computing techniques are extremely time-consuming, cumbersome, or simply non-existent. An overview of the JPL electronic neural network hardware development activities and some of the striking applications of the JPL electronic neuroprocessors are presented.

  16. Behavioral Economics

    PubMed Central

    Reed, Derek D.; Niileksela, Christopher R.; Kaplan, Brent A.

    2013-01-01

    In recent years, behavioral economics has gained much attention in psychology and public policy. Despite increased interest and continued basic experimental studies, the application of behavioral economics to therapeutic settings remains relatively sparse. Using examples from both basic and applied studies, we provide an overview of the principles comprising behavioral economic perspectives and discuss implications for behavior analysts in practice. A call for further translational research is provided. PMID:25729506

  17. Verbal behavior.

    PubMed

    Michael, J

    1984-11-01

    THE RECENT HISTORY AND CURRENT STATUS OF THE AREA OF VERBAL BEHAVIOR ARE CONSIDERED IN TERMS OF THREE MAJOR THEMATIC LINES: the operant conditioning of adult verbal behavior, learning to be an effective speaker and listener, and developments directly related to Skinner's Verbal Behavior. Other topics not directly related to the main themes are also considered: the work of Kurt Salzinger, ape-language research, and human operant research related to rule-governed behavior.

  18. Behavioral Medicine.

    ERIC Educational Resources Information Center

    Garfield, Sol L., Ed.

    1982-01-01

    Contains 18 articles discussing the uses of behavioral medicine in such areas as obesity, smoking, hypertension, and headache. Reviews include discussions of behavioral medicine and insomnia, chronic pain, asthma, peripheral vascular disease, and coronary-prone behavior. Newly emerging topics include gastrointestinal disorders, arthritis,…

  19. Behaviorally Speaking.

    ERIC Educational Resources Information Center

    Porter, Elias H.; Dutton, Darell W. J.

    1987-01-01

    Consists of two articles focusing on (1) a modern behavioral model that takes cues from Hippocrates' Four Temperaments and (2) use of a behavioral approach to improve the effectiveness of meetings. Lists positive and negative behaviors within the meeting context. (CH)

  20. Electronic properties of two-dimensional carbon

    SciTech Connect

    Peres, N.M.R.; Guinea, F.; Castro Neto, A.H. . E-mail: neto@bu.edu

    2006-07-15

    We present a theoretical description of the electronic properties of graphene in the presence of disorder, electron-electron interactions, and particle-hole symmetry breaking. We show that while particle-hole asymmetry, long-range Coulomb interactions, and extended defects lead to the phenomenon of self-doping, local defects determine the transport and spectroscopic properties. Our results explain recent experiments in graphitic devices and predict new electronic behavior.

  1. Behavioral endpoints for radiation injury

    NASA Astrophysics Data System (ADS)

    Rabin, B. M.; Joseph, J. A.; Hunt, W. A.; Dalton, T. B.; Kandasamy, S. B.; Harris, A. H.; Ludewig, B.

    1994-10-01

    The relative behavioral effectiveness of heavy particles was evaluated. Using the taste aversion paradigm in rats, the behavioral toxicity of most types of radiation (including 20Ne and 40Ar) was similar to that of 60Co photons. Only 56Fe and 93Nb particles and fission neutrons were significantly more effective. Using emesis in ferrets as the behavioral endpoint, 56Fe particles and neutrons were again the most effective; however, 60Co photons were significantly more effective than 18 MeV electrons. These results suggest that LET does not completely predict behavioral effectiveness. Additionally, exposing rats to 10 cGy of 56Fe particles attenuated amphetamine-induced taste aversion learning. This behavior is one of a broad class of behaviors which depends on the integrity of the dopaminergic system and suggests the possibility of alterations in these behaviors following exposure to heavy particles in a space radiation environment.

  2. Electronic plants

    PubMed Central

    Stavrinidou, Eleni; Gabrielsson, Roger; Gomez, Eliot; Crispin, Xavier; Nilsson, Ove; Simon, Daniel T.; Berggren, Magnus

    2015-01-01

    The roots, stems, leaves, and vascular circuitry of higher plants are responsible for conveying the chemical signals that regulate growth and functions. From a certain perspective, these features are analogous to the contacts, interconnections, devices, and wires of discrete and integrated electronic circuits. Although many attempts have been made to augment plant function with electroactive materials, plants’ “circuitry” has never been directly merged with electronics. We report analog and digital organic electronic circuits and devices manufactured in living plants. The four key components of a circuit have been achieved using the xylem, leaves, veins, and signals of the plant as the template and integral part of the circuit elements and functions. With integrated and distributed electronics in plants, one can envisage a range of applications including precision recording and regulation of physiology, energy harvesting from photosynthesis, and alternatives to genetic modification for plant optimization. PMID:26702448

  3. Effects of Crimped Fiber Paths on Mixed Mode Delamination Behaviors in Woven Fabric Composites

    DTIC Science & Technology

    2016-09-01

    Andrew W. Hulton Melvin W. Jee Mahmoud Salama 5.d PROJECT NUMBER 5e. TASK NUMBER 5f. WORK UNIT NUMBER 7. PERFORMING ORGANIZATION NAME(S) AND...ADDRESS(ES) Naval Undersea Warfare Center Division 1176 Howell Street Newport, RI 02841-1708 8. PERFORMING ORGANIZATION REPORT NUMBER...toughness and crack propagation behaviors of woven fabric polymer composite laminates subjected to single- and mixed-mode loadings using numerical models

  4. Nuclear cusps in the HSF electron density

    NASA Astrophysics Data System (ADS)

    Cioslowski, Jerzy; Challacombe, Matt

    1994-07-01

    The Hiller-Sucher-Feinberg (HSF) identity provides an alternative definition for the electron density. The behavior of the HSF electron density in the vicinity of nuclei is analyzed. It is shown that the HSF density possesses nuclear cusps at which its gradient is discontinuous. The discontinuities in the HSF density gradient satisfy a simple equation analogous to Kato's electron-nuclear cusp condition. However, in contrast to Kato's condition, the electron-nuclear cusp condition is satisfied by HSF densities originating from both exact and approximate electronic wavefunctions. Several numerical examples are presented to illustrate this property of the HSF electron density.

  5. Making Behavioral Activation More Behavioral

    ERIC Educational Resources Information Center

    Kanter, Jonathan W.; Manos, Rachel C.; Busch, Andrew M.; Rusch, Laura C.

    2008-01-01

    Behavioral Activation, an efficacious treatment for depression, presents a behavioral theory of depression--emphasizing the need for clients to contact positive reinforcement--and a set of therapeutic techniques--emphasizing provision of instructions rather than therapeutic provision of reinforcement. An integration of Behavioral Activation with…

  6. Electron lifetime in Luttinger liquids

    NASA Astrophysics Data System (ADS)

    Le Hur, Karyn

    2006-10-01

    We investigate the decoherence of the electron wave packet in purely ballistic one-dimensional systems described through the Luttinger liquid (LL). At a finite temperature T and long times t , we show that the electron Green’s function for a fixed wave vector close to one Fermi point decays as exp(-t/τF) —as opposed to the power-law behavior occurring at short times—and the emerging electron lifetime obeys τF-1∝T for spinful as well as spinless electrons. For strong interactions, (TτF)≪1 , reflecting that the electron is not a good Landau quasiparticle in LL’s. We justify that fractionalization is the main source of electron decoherence for spinful as well as spinless electrons clarifying the peculiar electron mass renormalization close to the Fermi points. For spinless electrons and weak interactions, our intuition can be enriched through a diagrammatic approach or Fermi golden rule and through a Johnson-Nyquist noise picture. We stress that the electron lifetime (and the fractional quasiparticles) can be revealed from Aharonov-Bohm experiments or momentum resolved tunneling. We aim to compare the results with those of spin-incoherent and chiral LL’s.

  7. Strong electron correlation in UO{sub 2}{sup −}: A photoelectron spectroscopy and relativistic quantum chemistry study

    SciTech Connect

    Li, Wei-Li; Jian, Tian; Lopez, Gary V.; Wang, Lai-Sheng; Su, Jing; Hu, Han-Shi; Cao, Guo-Jin; Li, Jun

    2014-03-07

    The electronic structures of actinide systems are extremely complicated and pose considerable challenges both experimentally and theoretically because of significant electron correlation and relativistic effects. Here we report an investigation of the electronic structure and chemical bonding of uranium dioxides, UO{sub 2}{sup −} and UO{sub 2}, using photoelectron spectroscopy and relativistic quantum chemistry. The electron affinity of UO{sub 2} is measured to be 1.159(20) eV. Intense detachment bands are observed from the UO{sub 2}{sup −} low-lying (7sσ{sub g}){sup 2}(5fϕ{sub u}){sup 1} orbitals and the more deeply bound O2p-based molecular orbitals which are separated by a large energy gap from the U-based orbitals. Surprisingly, numerous weak photodetachment transitions are observed in the gap region due to extensive two-electron transitions, suggesting strong electron correlations among the (7sσ{sub g}){sup 2}(5fϕ{sub u}){sup 1} electrons in UO{sub 2}{sup −} and the (7sσ{sub g}){sup 1}(5fϕ{sub u}){sup 1} electrons in UO{sub 2}. These observations are interpreted using multi-reference ab initio calculations with inclusion of spin-orbit coupling. The strong electron correlations and spin-orbit couplings generate orders-of-magnitude more detachment transitions from UO{sub 2}{sup −} than expected on the basis of the Koopmans’ theorem. The current experimental data on UO{sub 2}{sup −} provide a long-sought opportunity to arbitrating various relativistic quantum chemistry methods aimed at handling systems with strong electron correlations.

  8. Media and risky behaviors.

    PubMed

    Escobar-Chaves, Soledad Liliana; Anderson, Craig A

    2008-01-01

    Liliana Escobar-Chaves and Craig Anderson investigate two important trends among American youth and examine the extent to which the two trends might be related. First, the authors note that U.S. youth are spending increasing amounts of time using electronic media, with the average American youngster now spending one-third of each day with some form of electronic media. Second, the authors demonstrate that American adolescents are engaging in a number of unhealthful behaviors that impose huge societal costs. Escobar-Chaves and Anderson detail the extent of five critical types of adolescent health risk behaviors identified by the Centers for Disease Control and Prevention-obesity, smoking, drinking, sexual risk taking, and violence. Obesity, the authors note, has become an epidemic among America's young people. Cigarette smoking among adolescents is one of the ten leading health indicators of greatest government concern. Alcohol abuse and alcohol dependence are widespread problems among the nation's youth and are the source of the three leading causes of death among youth. More than 20 percent of American high school students have sexual intercourse for the first time before they reach the age of fourteen. And twelve- to twenty-year-olds perpetrated 28 percent of the single-offender and 41 percent of multiple-offender violent crimes in the United States in 2005. Escobar-Chaves and Anderson present and evaluate research findings on the influence of electronic media on these five risk behaviors among adolescents. Researchers, they say, have found modest evidence that media consumption contributes to the problem of obesity, modest to strong evidence that it contributes to drinking and smoking, and strong evidence that it contributes to violence. Research has been insufficient to find links between heavy media exposure and early sexual initiation. The authors note the need for more large-scale longitudinal studies that specifically examine the cumulative effects of

  9. Psychological behaviorism and behaviorizing psychology

    PubMed Central

    Staats, Arthur W.

    1994-01-01

    Paradigmatic or psychological behaviorism (PB), in a four-decade history of development, has been shaped by its goal, the establishment of a behaviorism that can also serve as the approach in psychology (Watson's original goal). In the process, PB has become a new generation of behaviorism with abundant heuristic avenues for development in theory, philosophy, methodology, and research. Psychology has resources, purview and problem areas, and nascent developments of many kinds, gathered in chaotic diversity, needing unification (and other things) that cognitivism cannot provide. Behaviorism can, within PB's multilevel framework for connecting and advancing both psychology and behaviorism. PMID:22478175

  10. Psychological behaviorism and behaviorizing psychology.

    PubMed

    Staats, A W

    1994-01-01

    Paradigmatic or psychological behaviorism (PB), in a four-decade history of development, has been shaped by its goal, the establishment of a behaviorism that can also serve as the approach in psychology (Watson's original goal). In the process, PB has become a new generation of behaviorism with abundant heuristic avenues for development in theory, philosophy, methodology, and research. Psychology has resources, purview and problem areas, and nascent developments of many kinds, gathered in chaotic diversity, needing unification (and other things) that cognitivism cannot provide. Behaviorism can, within PB's multilevel framework for connecting and advancing both psychology and behaviorism.

  11. Electron tube

    DOEpatents

    Suyama, Motohiro [Hamamatsu, JP; Fukasawa, Atsuhito [Hamamatsu, JP; Arisaka, Katsushi [Los Angeles, CA; Wang, Hanguo [North Hills, CA

    2011-12-20

    An electron tube of the present invention includes: a vacuum vessel including a face plate portion made of synthetic silica and having a surface on which a photoelectric surface is provided, a stem portion arranged facing the photoelectric surface and made of synthetic silica, and a side tube portion having one end connected to the face plate portion and the other end connected to the stem portion and made of synthetic silica; a projection portion arranged in the vacuum vessel, extending from the stem portion toward the photoelectric surface, and made of synthetic silica; and an electron detector arranged on the projection portion, for detecting electrons from the photoelectric surface, and made of silicon.

  12. ELECTRONIC SYSTEM

    DOEpatents

    Robison, G.H. et al.

    1960-11-15

    An electronic system is described for indicating the occurrence of a plurality of electrically detectable events within predetermined time intervals. It is comprised of separate input means electrically associated with the events under observation: an electronic channel associated with each input means including control means and indicating means; timing means associated with each of the input means and the control means and adapted to derive a signal from the input means and apply it after a predetermined time to the control means to effect deactivation of each of the channels; and means for resetting the system to its initial condition after observation of each group of events.

  13. Electron Impedances

    SciTech Connect

    P Cameron

    2011-12-31

    It is only recently, and particularly with the quantum Hall effect and the development of nanoelectronics, that impedances on the scale of molecules, atoms and single electrons have gained attention. In what follows the possibility that characteristic impedances might be defined for the photon and the single free electron is explored is some detail, the premise being that the concepts of electrical and mechanical impedances are relevant to the elementary particle. The scale invariant quantum Hall impedance is pivotal in this exploration, as is the two body problem and Mach's principle.

  14. Electronic system

    DOEpatents

    Robison, G H; Dickson, J F

    1960-11-15

    An electronic system is designed for indicating the occurrence of a plurality of electrically detectable events within predetermined time intervals. The system comprises separate input means electrically associated with the events under observation an electronic channel associated with each input means, including control means and indicating means; timing means adapted to apply a signal from the input means after a predetermined time to the control means to deactivate each of the channels; and means for resetting the system to its initial condition after the observation of each group of events. (D.L.C.)

  15. Teleological behaviorism.

    PubMed

    Rachlin, H

    1992-11-01

    A psychological science of efficient causes, using internal mechanisms to explain overt behavior, is distinguished from another psychological science, based on Aristotelian final causes, using external objects and goals to explain overt behavior. Efficient-cause psychology is designed to answer the question of how a particular act is emitted; final-cause psychology is designed to answer the question of why a particular act is emitted. Physiological psychology, modern cognitive psychology, and some parts of behaviorism including Skinnerian behaviorism are efficient-cause psychologies; final-cause psychology, a development of Skinnerian behaviorism, is here called teleological behaviorism. Each of these two conceptions of causality in psychology implies a different view of the mind, hence a different meaning of mental terms.

  16. Behavior modification.

    PubMed

    Pelham, W E; Fabiano, G A

    2000-07-01

    Attention deficit/hyperactivity disorder (ADHD) is a chronic and substantially impairing disorder. This means that treatment must also be chronic and substantial. Behavior Modification, and in many cases, the combination of behavior modification and stimulant medication, is a valid, useful treatment for reducing the pervasive impairment experienced by children with ADHD. Based on the research evidence reviewed, behavior modification should be the first line of treatment for children with ADHD.

  17. Quantum Phenomena Observed Using Electrons

    SciTech Connect

    Tonomura, Akira

    2011-05-06

    Electron phase microscopy based on the Aharonov-Bohm (AB) effect principle has been used to illuminate fundamental phenomena concerning magnetism and superconductivity by visualizing quantitative magnetic lines of force. This paper deals with confirmation experiments on the AB effect, the magnetization process of tiny magnetic heads for perpendicular recording, and vortex behaviors in high-Tc superconductors.

  18. Behavioral toxicology

    SciTech Connect

    Needleman, H.L.

    1995-09-01

    The new fields of behavioral toxicology and behavioral teratology investigate the outcome of specific toxic exposures in humans and animals on learning, memory, and behavioral characteristics. Three important classes of behavioral neurotoxicants are metals, solvents, and pesticides. The clearest data on the deleterious effects of prenatal exposure to toxicants comes from the study of two metals, lead and mercury, and form epidemiological investigations of the effects of alcohol taken during pregnancy. Less complete data are available for two other groups of agents, solvents, and pesticides. What we do know about their effects on the fetal brain is convincing enough to make us demand caution in their distribution. 15 refs.

  19. Electronics for Extreme Environments

    NASA Technical Reports Server (NTRS)

    Patel, J. U.; Cressler, J.; Li, Y.; Niu, G.

    2001-01-01

    Most of the NASA missions involve extreme environments comprising radiation and low or high temperatures. Current practice of providing friendly ambient operating environment to electronics costs considerable power and mass (for shielding). Immediate missions such as the Europa orbiter and lander and Mars landers require the electronics to perform reliably in extreme conditions during the most critical part of the mission. Some other missions planned in the future also involve substantial surface activity in terms of measurements, sample collection, penetration through ice and crust and the analysis of samples. Thus it is extremely critical to develop electronics that could reliably operate under extreme space environments. Silicon On Insulator (SOI) technology is an extremely attractive candidate for NASA's future low power and high speed electronic systems because it offers increased transconductance, decreased sub-threshold slope, reduced short channel effects, elimination of kink effect, enhanced low field mobility, and immunity from radiation induced latch-up. A common belief that semiconductor devices function better at low temperatures is generally true for bulk devices but it does not hold true for deep sub-micron SOI CMOS devices with microscopic device features of 0.25 micrometers and smaller. Various temperature sensitive device parameters and device characteristics have recently been reported in the literature. Behavior of state of the art technology devices under such conditions needs to be evaluated in order to determine possible modifications in the device design for better performance and survivability under extreme environments. Here, we present a unique approach of developing electronics for extreme environments to benefit future NASA missions as described above. This will also benefit other long transit/life time missions such as the solar sail and planetary outposts in which electronics is out open in the unshielded space at the ambient space

  20. Electronic structure properties of neptunium intermetallics under pressure from Moessbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Kalvius, G. M.; Potzel, W.; Zwirner, S.; Gal, J.; Nowik, I.

    1994-10-01

    Electronic structure properties of neptunium intermetallics obtained by the 60 keV Moessbauer resonance in Np-237 in the pressure range up to 9 GPa and at temperatures from 1.5 K to about 150 K together with X-ray determinations of the bulk modulus are discussed. Samples of the NaCl compounds NpX, the Laves phases NpX2 and the AuCu3 materials NpX3 as well as the tetragonal series NpX2S2 have been studied. The volume coefficients of magnetic moment and magnetic transition temperature allow the classification in terms of 5f bandwidth arising either from 5f-5f overlap or hybridization with ligand s, p, or d electrons. The pressure-temperature magnetic phase diagram of some of these compounds has also been investigated. In NpGa3 and NpIn3 we find a preference for ferromagnetic order under reduced volume. Finally we address the question of crystal field interactions and show that even in a somewhat delocalized case (NpAl2) they are decisive in determining the high pressure Moessbauer spectra.

  1. Basic Electronics.

    ERIC Educational Resources Information Center

    Hartman, Lonnie; Huston, Jane, Ed.

    The skills taught in these materials for a seven-unit course were those identified as necessary not only for entry-level electronic technicians but for those in other occupations as well, including appliance repair, heating and air conditioning, and auto mechanics. The seven units are on shop orientation and safety principles, introduction to…

  2. Electronic tongue

    NASA Technical Reports Server (NTRS)

    Kuhlman, Kimberly (Inventor); Buehler, Martin G. (Inventor)

    2004-01-01

    An ion selective electrode (ISE) array is described, as well as methods for producing the same. The array can contain multiple ISE which are individually electronically addressed. The addressing allows simplified preparation of the array. The array can be used for water quality monitoring, for example.

  3. Electronic Money.

    ERIC Educational Resources Information Center

    Schilling, Tim

    Thirty years ago a cashless society was predicted for the near future; paper currency and checks would be an antiquated symbol of the past. Consumers would embrace a new alternative for making payments: electronic money. But currency is still used for 87% of payments, mainly for "nickel and dime" purchases. And checks are the payment…

  4. Electron Cooling

    NASA Astrophysics Data System (ADS)

    Ellison, Timothy J. P.

    1991-08-01

    Electron cooling is a method of reducing the 6 -dimensional phase space volume of a stored ion beam. The technique was invented by Budker and first developed by him and his colleagues at the Institute for Nuclear Physics in Novosibirsk. Further studies of electron cooling were subsequently performed at CERN and Fermilab. At the Indiana University Cyclotron Facility (IUCF) an electron cooling system was designed, built, and commissioned in 1988. This was the highest energy system built to date (270 keV for cooling 500 MeV protons) and the first such system to be used as an instrument for performing nuclear and atomic physics experiments. This dissertation summarizes the design principles; measurements of the longitudinal drag rate (cooling force), equilibrium cooled beam properties and effective longitudinal electron beam temperature. These measurements are compared with theory and with the measured performance of other cooling systems. In addition the feasibility of extending this technology to energies an order of magnitude higher are discussed.

  5. Electronics Technician.

    ERIC Educational Resources Information Center

    Ohio State Univ., Columbus. Center on Education and Training for Employment.

    This document contains 27 units to consider for use in a tech prep competency profile for the occupation of electronics technician. All the units listed will not necessarily apply to every situation or tech prep consortium, nor will all the competencies within each unit be appropriate. Several units appear within each specific occupation and would…

  6. Electronic Portfolios.

    ERIC Educational Resources Information Center

    Purves, Alan C.

    1996-01-01

    Outlines three forms of electronic portfolio based on a student's work, a class project about a specific topic, and a class seminar on a broad topic. Discusses logistical problems of management, access, and cross-referencing; technical problems of input, access, and copying; and theoretical issues of the lack of realia, of ownership and copyright,…

  7. Behavior Matters

    PubMed Central

    Fisher, Edwin B.; Fitzgibbon, Marian L.; Glasgow, Russell E.; Haire-Joshu, Debra; Hayman, Laura L.; Kaplan, Robert M.; Nanney, Marilyn S.; Ockene, Judith K.

    2011-01-01

    Behavior has a broad and central role in health. Behavioral interventions can be effectively used to prevent disease, improve management of existing disease, increase quality of life, and reduce healthcare costs. A summary is presented of evidence for these conclusions in cardiovascular disease/diabetes, cancer, and HIV/AIDS as well as with key risk factors: tobacco use, poor diet, physical inactivity, and excessive alcohol consumption. For each, documentation is made of (1) moderation of genetic and other fundamental biological influences by behaviors and social–environmental factors, (2) impacts of behaviors on health, (3) success of behavioral interventions in prevention, (4) disease management, (5) and quality of life, and (6) improvements in the health of populations through behavioral health promotion programs. Evidence indicates the cost effectiveness and value of behavioral interventions, especially relative to other common health services, as well as the value they add in terms of quality of life. Pertinent to clinicians and their patients as well as to health policy and population health, the benefits of behavioral interventions extend beyond impacts on a particular disease or risk factor. Rather, they include broad effects and benefits on prevention, disease management, and well-being across the life span. Among priorities for dissemination research, the application of behavioral approaches is challenged by diverse barriers, including socioeconomic barriers linked to health disparities. However, behavioral approaches including those emphasizing community and social influences appear to be useful in addressing such challenges. In sum, behavioral approaches should have a central place in prevention and health care of the 21st century. PMID:21496745

  8. Experimental Benchmarking of Pu Electronic Structure

    SciTech Connect

    Tobin, J.G.; Moore, K.T.; Chung, B.W.; Wall, M.A.; Schwartz, A.J.; Ebbinghaus, B.B.; Butterfield, M.T.; Teslich, Jr., N.E.; Bliss, R.A.; Morton, S.A.; Yu, S.W.; Komesu, T.; Waddill, G.D.; van der Laan, G.; Kutepov, A.L.

    2008-10-30

    The standard method to determine the band structure of a condensed phase material is to (1) obtain a single crystal with a well defined surface and (2) map the bands with angle resolved photoelectron spectroscopy (occupied or valence bands) and inverse photoelectron spectroscopy (unoccupied or conduction bands). Unfortunately, in the case of Pu, the single crystals of Pu are either nonexistent, very small and/or having poorly defined surfaces. Furthermore, effects such as electron correlation and a large spin-orbit splitting in the 5f states have further complicated the situation. Thus, we have embarked upon the utilization of unorthodox electron spectroscopies, to circumvent the problems caused by the absence of large single crystals of Pu with well-defined surfaces. Our approach includes the techniques of resonant photoelectron spectroscopy, x-ray absorption spectroscopy, electron energy loss spectroscopy, Fano Effect measurements, and Bremstrahlung Isochromat Spectroscopy, including the utilization of micro-focused beams to probe single-crystallite regions of polycrystalline Pu samples.

  9. Experimental Benchmarking of Pu Electronic Structure

    SciTech Connect

    Tobin, J G; Moore, K T; Chung, B W; Wall, M A; Schwartz, A J; Ebbinghaus, B B; Butterfield, M T; Teslich, Jr., N E; Bliss, R A; Morton, S A; Yu, S W; Komesu, T; Waddill, G D; der Laan, G v; Kutepov, A L

    2005-10-13

    The standard method to determine the band structure of a condensed phase material is to (1) obtain a single crystal with a well defined surface and (2) map the bands with angle resolved photoelectron spectroscopy (occupied or valence bands) and inverse photoelectron spectroscopy (unoccupied or conduction bands). Unfortunately, in the case of Pu, the single crystals of Pu are either nonexistent, very small and/or having poorly defined surfaces. Furthermore, effects such as electron correlation and a large spin-orbit splitting in the 5f states have further complicated the situation. Thus, we have embarked upon the utilization of unorthodox electron spectroscopies, to circumvent the problems caused by the absence of large single crystals of Pu with well-defined surfaces. Our approach includes the techniques of resonant photoelectron spectroscopy [1], x-ray absorption spectroscopy [1,2,3,4], electron energy loss spectroscopy [2,3,4], Fano Effect measurements [5], and Bremstrahlung Isochromat Spectroscopy [6], including the utilization of micro-focused beams to probe single-crystallite regions of polycrystalline Pu samples. [2,3,6

  10. Aggressive Behavior

    MedlinePlus

    ... Listen Español Text Size Email Print Share Aggressive Behavior Page Content Article Body My child is sometimes very aggressive. What is the best ... once they are quiet and still reinforces this behavior, so your child learns that time out means “quiet and still.” ...

  11. Behavioral economics.

    PubMed

    Camerer, Colin F

    2014-09-22

    Behavioral economics uses evidence from psychology and other social sciences to create a precise and fruitful alternative to traditional economic theories, which are based on optimization. Behavioral economics may interest some biologists, as it shifts the basis for theories of economic choice away from logical calculation and maximization and toward biologically plausible mechanisms.

  12. Electronic Structure of AC-Clusters and High-Resolution X-ray Spectra of Actinides in Solids

    SciTech Connect

    Kulagin, Nicolay Alex

    2007-07-01

    Ab initio calculations using SCF approach for and analysis of results of investigation of the electronic structure of the clusters RAn+:[L]k with rare earths or actinides were carried out for the clusters in solids and liquids. Theoretical results for the electronic structure, radial integrals and energy of X- ray lines are presented for AC ions with unoccupied 5f-shell in the clusters in oxides, chlorides and fluorides environment. Possibility of collapse of nf-shell for the separate clusters and identification of electronic state of ions with unstable nuclei, are discussed, too. (author)

  13. Making behavioral activation more behavioral.

    PubMed

    Kanter, Jonathan W; Manos, Rachel C; Busch, Andrew M; Rusch, Laura C

    2008-11-01

    Behavioral Activation, an efficacious treatment for depression, presents a behavioral theory of depression--emphasizing the need for clients to contact positive reinforcement--and a set of therapeutic techniques--emphasizing provision of instructions rather than therapeutic provision of reinforcement. An integration of Behavioral Activation with another behavioral treatment, Functional Analytic Psychotherapy, addresses this mismatch. Functional Analytic Psychotherapy provides a process for the therapeutic provision of immediate and natural reinforcement. This article presents this integration and offers theoretical and practical therapist guidelines on its application. Although the integration is largely theoretical, empirical data are presented in its support when available. The article ends with a discussion of future research directions.

  14. Electron Donor-Acceptor Quenching and Photoinduced Electron Transfer for Coumarin Dyes.

    DTIC Science & Technology

    1983-10-31

    Mechanism of cousarin photodegradation . Ithe behavior of eoiuma dyes is water ad In aqueous detergent media,. and the effsects of medism aud, additives on...D-i36 345 ELECTRON DONOR-ACCEPTOR UENCHING AND PHOTOINDUCED i/i Ai ELECTRON TRANSFER FOR COUMARIN DYES (U) BOSTON UNIY MR DEPT OF CHEMISTRY G JONES...TYPE OF REPORT & PEIOD COVERED Electron Donor-acceptor Quenching and Photo- Technical, 1/1/82-10/31/82 induced Electron Transfer for Coumarin Dyes S

  15. Electronic Nose

    NASA Technical Reports Server (NTRS)

    1982-01-01

    Grace Industries, Inc.'s Electronic Nose is a vapor and gas detector, deriving from NASA's electronic circuitry, capable for sensing the presence of accelerants several days after a fire. The device is powered by rechargeable battery and no special training needed to operate. If an accelerant is present, device will emit a beeping sound and trigger a flashing light; the faster the beep rate, the more volatile the accelerant. Its sensitivity can also detect minute traces of accelerants. Unit saves investigators of fire causes time and expense by providing speedy detection of physical evidence for use in court. Device is also useful for detecting hazardous fumes, locating and detecting gas leaks in refineries and on oil drilling rigs.

  16. Electronic Nose and Electronic Tongue

    NASA Astrophysics Data System (ADS)

    Bhattacharyya, Nabarun; Bandhopadhyay, Rajib

    Human beings have five senses, namely, vision, hearing, touch, smell and taste. The sensors for vision, hearing and touch have been developed for several years. The need for sensors capable of mimicking the senses of smell and taste have been felt only recently in food industry, environmental monitoring and several industrial applications. In the ever-widening horizon of frontier research in the field of electronics and advanced computing, emergence of electronic nose (E-Nose) and electronic tongue (E-Tongue) have been drawing attention of scientists and technologists for more than a decade. By intelligent integration of multitudes of technologies like chemometrics, microelectronics and advanced soft computing, human olfaction has been successfully mimicked by such new techniques called machine olfaction (Pearce et al. 2002). But the very essence of such research and development efforts has centered on development of customized electronic nose and electronic tongue solutions specific to individual applications. In fact, research trends as of date clearly points to the fact that a machine olfaction system as versatile, universal and broadband as human nose and human tongue may not be feasible in the decades to come. But application specific solutions may definitely be demonstrated and commercialized by modulation in sensor design and fine-tuning the soft computing solutions. This chapter deals with theory, developments of E-Nose and E-Tongue technology and their applications. Also a succinct account of future trends of R&D efforts in this field with an objective of establishing co-relation between machine olfaction and human perception has been included.

  17. ELECTRONIC MULTIPLIER

    DOEpatents

    Collier, D.M.; Meeks, L.A.; Palmer, J.P.

    1961-01-31

    S>An electronic multiplier is described for use in analog computers. Two electrical input signals are received; one controls the slope of a saw-tooth voltage wave while the other controls the time duration of the wave. A condenser and diode clamps are provided to sustain the crest voltage reached by the wave, and for storing that voltage to provide an output signal which is a steady d-c voltage.

  18. A Systems Approach to Electronics Maintenance Training.

    ERIC Educational Resources Information Center

    Valverde, Horace H.

    An Air Force systems-oriented electronics maintenance course for weapon control was developed and evaluated. A behavioral description based upon a task analysis of actual job requirements was first prepared. Based on objectives derived from these behavioral descriptions an experimental 14-week training course was developed. A group of subjects…

  19. ELECTRON GUN

    DOEpatents

    Christofilos, N.C.; Ehlers, K.W.

    1960-04-01

    A pulsed electron gun capable of delivering pulses at voltages of the order of 1 mv and currents of the order of 100 amperes is described. The principal novelty resides in a transformer construction which is disposed in the same vacuum housing as the electron source and accelerating electrode structure of the gun to supply the accelerating potential thereto. The transformer is provided by a plurality of magnetic cores disposed in circumferentially spaced relation and having a plurality of primary windings each inductively coupled to a different one of the cores, and a helical secondary winding which is disposed coaxially of the cores and passes therethrough in circumferential succession. Additional novelty resides in the disposition of the electron source cathode filament input leads interiorly of the transformer secondary winding which is hollow, as well as in the employment of a half-wave filament supply which is synchronously operated with the transformer supply such that the transformer is pulsed during the zero current portions of the half-wave cycle.

  20. Electronic Gaming and the Obesity Crisis

    ERIC Educational Resources Information Center

    Calvert, Sandra L.; Staiano, Amanda E.; Bond, Bradley J.

    2013-01-01

    Children and adolescents in the United States and in many countries are projected to have shorter life spans than their parents, partly because of the obesity crisis engulfing the developed world. Exposure to electronic media is often implicated in this crisis because media use, including electronic game play, may promote sedentary behavior and…

  1. Cylindrical and spherical electron acoustic solitary waves in the presence of superthermal hot electrons

    NASA Astrophysics Data System (ADS)

    Javidan, Kurosh; Pakzad, Hamid Reza

    2012-02-01

    Propagation of cylindrical and spherical electron-acoustic solitary waves in unmagnetized plasmas consisting of cold electron fluid, hot electrons obeying a superthermal distribution and stationary ions are investigated. The standard reductive perturbation method is employed to derive the cylindrical/spherical Korteweg-de-Vries equation which governs the dynamics of electron-acoustic solitons. The effects of nonplanar geometry and superthermal hot electrons on the behavior of cylindrical and spherical electron acoustic soliton and its structure are also studied using numerical simulations.

  2. Electronic structure and magnetic state of transuranium metals under pressure.

    PubMed

    Lukoyanov, A V; Shorikov, A O; Bystrushkin, V B; Dyachenko, A A; Kabirova, L R; Tsiovkin, Yu Yu; Povzner, A A; Dremov, V V; Korotin, M A; Anisimov, V I

    2010-12-15

    The electronic structures of bcc Np, fcc Pu, Am, and Cm pure metals under pressure have been investigated employing the LDA + U method with spin-orbit coupling (LDA + U + SO). The magnetic state of the actinide ions was analyzed in both LS and jj coupling schemes to reveal the applicability of corresponding coupling bases. It was demonstrated that whereas Pu and Am are well described within the jj coupling scheme, Np and Cm can be described appropriately neither in a {mσ}, nor in a {jmj} basis, due to intermediate coupling scheme realization in these metals that requires some finer treatment. The LDA + U + SO results for the considered transuranium metals reveal band broadening and gradual 5f electron delocalization under pressure.

  3. Electron Interactions With C3F8

    NASA Astrophysics Data System (ADS)

    Christophorou, L. G.; Olthoff, J. K.

    1998-09-01

    To aid the many and diverse applications for which perfluoropropane (C3F8) is suited, we critically evaluate and synthesize existing knowledge on electron scattering and electron energy-loss processes for the C3F8 molecule, and provide recommendations for the most reliable data. We also draw attention to electron-interaction data that are not presently available, but are needed for modeling the behavior of C3F8 in practical uses, especially plasma processing.

  4. Cognitions, Decisions and Behaviors Related to Successful Adjustment Among Individuals with SCI: A Qualitative Examination of Military and Nonmilitary Personnel

    DTIC Science & Technology

    2015-10-01

    Bradley L. Trumpower 5e. TASK NUMBER E-Mail: trumpb@med.umich.edu 5f. WORK UNIT NUMBER 7. PERFORMING ORGANIZATION NAME(S) AND ADDRESS(ES) 8... PERFORMING ORGANIZATION REPORT NUMBER The Regents of the University of Michigan. 3003 South State Street Ann Arbor, MI 48109-1272. 9. SPONSORING...finding out about the thoughts they had, the decisions they made and the behaviors they performed in the first few years after injury, as well as what

  5. Behavior change

    Technology Transfer Automated Retrieval System (TEKTRAN)

    This brief entry presents the mediating-moderating variable model as a conceptual framework for understanding behavior change in regard to physical activity/exercise and adiposity. The ideas are applied to real world situations....

  6. Transverse shape of the electron

    SciTech Connect

    Hoyer, Paul; Kurki, Samu

    2010-01-01

    We study the charge density, form factors and spin distributions of the electron induced by its |e{gamma}> light-front Fock state in impact parameter space. Only transversally compact Fock states contribute to the leading behavior of the Dirac and Pauli form factors as the momentum transfer tends to infinity. Power suppressed contributions are not compact, and distributions weighted by the transverse size have endpoint contributions. The Fock state conserves the spin of the parent electron locally, but the separate contributions of the electron, photon, and orbital angular momentum depend on longitudinal momentum and impact parameter. The sign of the anomalous magnetic moment of the electron may be understood intuitively from the density distribution, addressing a challenge by Feynman.

  7. Correlated Electrons in Reduced Dimensions

    SciTech Connect

    Bonesteel, Nicholas E

    2015-01-31

    This report summarizes the work accomplished under the support of US DOE grant # DE-FG02-97ER45639, "Correlated Electrons in Reduced Dimensions." The underlying hypothesis of the research supported by this grant has been that studying the unique behavior of correlated electrons in reduced dimensions can lead to new ways of understanding how matter can order and how it can potentially be used. The systems under study have included i) fractional quantum Hall matter, which is realized when electrons are confined to two-dimensions and placed in a strong magnetic field at low temperature, ii) one-dimensional chains of spins and exotic quasiparticle excitations of topologically ordered matter, and iii) electrons confined in effectively ``zero-dimensional" semiconductor quantum dots.

  8. Carbon Nanotube Based Molecular Electronics

    NASA Technical Reports Server (NTRS)

    Srivastava, Deepak; Saini, Subhash; Menon, Madhu

    1998-01-01

    Carbon nanotubes and the nanotube heterojunctions have recently emerged as excellent candidates for nanoscale molecular electronic device components. Experimental measurements on the conductivity, rectifying behavior and conductivity-chirality correlation have also been made. While quasi-one dimensional simple heterojunctions between nanotubes with different electronic behavior can be generated by introduction of a pair of heptagon-pentagon defects in an otherwise all hexagon graphene sheet. Other complex 3- and 4-point junctions may require other mechanisms. Structural stability as well as local electronic density of states of various nanotube junctions are investigated using a generalized tight-binding molecular dynamics (GDBMD) scheme that incorporates non-orthogonality of the orbitals. The junctions investigated include straight and small angle heterojunctions of various chiralities and diameters; as well as more complex 'T' and 'Y' junctions which do not always obey the usual pentagon-heptagon pair rule. The study of local density of states (LDOS) reveal many interesting features, most prominent among them being the defect-induced states in the gap. The proposed three and four pointjunctions are one of the smallest possible tunnel junctions made entirely of carbon atoms. Furthermore the electronic behavior of the nanotube based device components can be taylored by doping with group III-V elements such as B and N, and BN nanotubes as a wide band gap semiconductor has also been realized in experiments. Structural properties of heteroatomic nanotubes comprising C, B and N will be discussed.

  9. Rebalance electronics

    NASA Technical Reports Server (NTRS)

    Blalock, T. V.; Kennedy, E. J.

    1972-01-01

    Two basic types of strapdown gyroscope rebalance-electronics were analyzed and compared. These two types were a discrete-pulse ternary system and a width-modulated binary system. In the analyses, major emphasis was placed on the logic sections, the H-switches, the precision voltage reference loops, the noise performance, common-mode rejection, and loop compensation. Results of the analyses were used in identifying specific advantages and disadvantages of system details and in making accuracy and resolution comparisons. Sound engineering principles were applied in the development of both systems; however, it was concluded that each system has some disadvantages that are amenable to improvement.

  10. C/EBPβ (CEBPB) protein binding to the C/EBP|CRE DNA 8-mer TTGC|GTCA is inhibited by 5hmC and enhanced by 5mC, 5fC, and 5caC in the CG dinucleotide.

    PubMed

    Sayeed, Syed Khund; Zhao, Jianfei; Sathyanarayana, Bangalore K; Golla, Jaya Prakash; Vinson, Charles

    2015-06-01

    During mammalian development, some methylated cytosines (5mC) in CG dinucleotides are iteratively oxidized by TET dioxygenases to 5-hydroxymethylcytosine (5hmC), 5-formylcytosine (5fC), and 5-carboxylcytosine (5caC). The effect of these cytosine oxidative products on the sequence-specific DNA binding of transcription factors is being actively investigated. Here, we used the electrophoretic mobility shift assay (EMSA) to examine C/EBPα and C/EBPβ homodimers binding to all 25 chemical forms of a CG dinucleotide for two DNA sequences: the canonical C/EBP 8-mer TTGC|GCAA and the chimeric C/EBP|CRE 8-mer TTGC|GTCA. 5hmC in the CG dinucleotide in the C/EBP|CRE motif 8-mer TGAC|GCAA inhibits binding of C/EBPβ but not C/EBPα. Binding was increased by 5mC, 5fC and 5caC. Circular dichroism monitored thermal denaturations for C/EBPβ bound to the C/EBP|CRE motif confirmed the EMSA. The structural differences between C/EBPα and C/EBPβ that may account for the difference in binding 5hmC in the 8-mer TGAC|GCAA are explored.

  11. Electronic Router

    NASA Technical Reports Server (NTRS)

    Crusan, Jason

    2005-01-01

    Electronic Router (E-Router) is an application program for routing documents among the cognizant individuals in a government agency or other organization. E-Router supplants a prior 14 NASA Tech Briefs, May 2005 system in which paper documents were routed physically in packages by use of paper slips, packages could be lost, routing times were unacceptably long, tracking of packages was difficult, and there was a need for much photocopying. E-Router enables a user to create a digital package to be routed. Input accepted by E-Router includes the title of the package, the person(s) to whom the package is to be routed, attached files, and comments to reviewers. Electronic mail is used to notify reviewers of needed actions. The creator of the package can, at any time, see the status of the package in the routing structure. At the end of the routing process, E-Router keeps a record of the package and of approvals and/or concurrences of the reviewers. There are commercial programs that perform the general functions of E-Router, but they are more complicated. E-Router is Web-based, easy to use, and does not require the installation or use of client software.

  12. First-principles study on oxidation effects in uranium oxides and high-pressure high-temperature behavior of point defects in uranium dioxide

    NASA Astrophysics Data System (ADS)

    Geng, Hua Y.; Song, Hong X.; Jin, K.; Xiang, S. K.; Wu, Q.

    2011-11-01

    Formation Gibbs free energy of point defects and oxygen clusters in uranium dioxide at high-pressure high-temperature conditions are calculated from first principles, using the LSDA+U approach for the electronic structure and the Debye model for the lattice vibrations. The phonon contribution on Frenkel pairs is found to be notable, whereas it is negligible for the Schottky defect. Hydrostatic compression changes the formation energies drastically, making defect concentrations depend more sensitively on pressure. Calculations show that, if no oxygen clusters are considered, uranium vacancy becomes predominant in overstoichiometric UO2 with the aid of the contribution from lattice vibrations, while compression favors oxygen defects and suppresses uranium vacancy greatly. At ambient pressure, however, the experimental observation of predominant oxygen defects in this regime can be reproduced only in a form of cuboctahedral clusters, underlining the importance of defect clustering in UO2+x. Making use of the point defect model, an equation of state for nonstoichiometric oxides is established, which is then applied to describe the shock Hugoniot of UO2+x. Furthermore, the oxidization and compression behavior of uranium monoxide, triuranium octoxide, uranium trioxide, and a series of defective UO2 at 0 K are investigated. The evolution of mechanical properties and electronic structures with an increase of the oxidation degree are analyzed, revealing the transition of the ground state of uranium oxides from metallic to Mott insulator and then to charge-transfer insulator due to the interplay of strongly correlated effects of 5f orbitals and the shift of electrons from uranium to oxygen atoms.

  13. STIR: Novel Electronic States by Gating Strongly Correlated Materials

    DTIC Science & Technology

    2016-03-01

    electron behavior which could be modulated by gating: spin liquids (e.g. a layered Sodium Iridate compound) and multiferroics (e.g. Bismuth Ferrite). We...electron behavior which could be modulated by gating: spin liquids (e.g. a layered Sodium Iridate compound) and multiferroics (e.g. Bismuth Ferrite

  14. Electronic quantization in dielectric nanolaminates

    NASA Astrophysics Data System (ADS)

    Willemsen, T.; Geerke, P.; Jupé, M.; Gallais, L.; Ristau, D.

    2016-12-01

    The scientific background in the field of the laser induced damage processes in optical coatings has been significantly extended during the last decades. Especially for the ultra-short pulse regime a clear correlation between the electronic material parameters and the laser damage threshold could be demonstrated. In the present study, the quantization in nanolaminates is investigated to gain a deeper insight into the behavior of the blue shift of the bandgap in specific coating materials as well as to find approximations for the effective mass of the electrons. The theoretical predictions are correlated to the measurements.

  15. Epidermal Electronics

    NASA Astrophysics Data System (ADS)

    Kim, Dae-Hyeong; Lu, Nanshu; Ma, Rui; Kim, Yun-Soung; Kim, Rak-Hwan; Wang, Shuodao; Wu, Jian; Won, Sang Min; Tao, Hu; Islam, Ahmad; Yu, Ki Jun; Kim, Tae-il; Chowdhury, Raeed; Ying, Ming; Xu, Lizhi; Li, Ming; Chung, Hyun-Joong; Keum, Hohyun; McCormick, Martin; Liu, Ping; Zhang, Yong-Wei; Omenetto, Fiorenzo G.; Huang, Yonggang; Coleman, Todd; Rogers, John A.

    2011-08-01

    We report classes of electronic systems that achieve thicknesses, effective elastic moduli, bending stiffnesses, and areal mass densities matched to the epidermis. Unlike traditional wafer-based technologies, laminating such devices onto the skin leads to conformal contact and adequate adhesion based on van der Waals interactions alone, in a manner that is mechanically invisible to the user. We describe systems incorporating electrophysiological, temperature, and strain sensors, as well as transistors, light-emitting diodes, photodetectors, radio frequency inductors, capacitors, oscillators, and rectifying diodes. Solar cells and wireless coils provide options for power supply. We used this type of technology to measure electrical activity produced by the heart, brain, and skeletal muscles and show that the resulting data contain sufficient information for an unusual type of computer game controller.

  16. Investigation of relativistic runaway electrons in electron cyclotron resonance heating discharges on Korea Superconducting Tokamak Advanced Research

    SciTech Connect

    Kang, C. S.; Lee, S. G.

    2014-07-15

    The behavior of relativistic runaway electrons during Electron Cyclotron Resonance Heating (ECRH) discharges is investigated in the Korea Superconducting Tokamak Advanced Research device. The effect of the ECRH on the runaway electron population is discussed. Observations on the generation of superthermal electrons during ECRH will be reported, which will be shown to be consistent with existing theory for the development of a superthermal electron avalanche during ECRH [A. Lazaros, Phys. Plasmas 8, 1263 (2001)].

  17. On the Stability of Parainfluenza Virus 5 F Proteins

    PubMed Central

    Poor, Taylor A.; Song, Albert S.; Welch, Brett D.; Kors, Christopher A.; Jardetzky, Theodore S.

    2015-01-01

    The crystal structure of the F protein (prefusion form) of the paramyxovirus parainfluenza virus 5 (PIV5) WR isolate was determined. We investigated the basis by which point mutations affect fusion in PIV5 isolates W3A and WR, which differ by two residues in the F ectodomain. The P22 stabilizing site acts through a local conformational change and a hydrophobic pocket interaction, whereas the S443 destabilizing site appears sensitive to both conformational effects and amino acid charge/polarity changes. PMID:25589638

  18. Behavior subtraction

    NASA Astrophysics Data System (ADS)

    Jodoin, Pierre-Marc; Saligrama, Venkatesh; Konrad, Janusz

    2008-01-01

    Network video cameras, invented in the last decade or so, permit today pervasive, wide-area visual surveillance. However, due to the vast amounts of visual data that such cameras produce human-operator monitoring is not possible and automatic algorithms are needed. One monitoring task of particular interest is the detection of suspicious behavior, i.e., identification of individuals or objects whose behavior differs from behavior usually observed. Many methods based on object path analysis have been developed to date (motion detection followed by tracking and inferencing) but they are sensitive to motion detection and tracking errors and are also computationally complex. We propose a new surveillance method capable of abnormal behavior detection without explicit estimation of object paths. Our method is based on a simple model of video dynamics. We propose one practical implementation of this general model via temporal aggregation of motion detection labels. Our method requires little processing power and memory, is robust to motion segmentation errors, and general enough to monitor humans, cars or any other moving objects in uncluttered as well as highly-cluttered scenes. Furthermore, on account of its simplicity, our method can provide performance guarantees. It is also robust in harsh environments (jittery cameras, rain/snow/fog).

  19. Challenging Behavior.

    ERIC Educational Resources Information Center

    Reichle, Joe, Ed.; DePaepe, Paris, Ed.

    1991-01-01

    The articles in this feature or theme issue describe successful approaches to positive, community-based management of severe challenging behavior. Programs include: a train-the-trainer strategy for inservice training used across the country; the use of student volunteers as community integration facilitators; a school-based intervention project…

  20. Behavior Modification

    ERIC Educational Resources Information Center

    Boardman, Randolph M.

    2010-01-01

    In a perfect world, students would never talk back to school staff and never argue or fight with each other. They would complete all their assigned tasks, and disciplinary actions never would be needed. Unfortunately, people don't live in a perfect world. Student behavior is a daily concern. Teachers continue to refer students to the office as a…