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Sample records for 5f electron localization

  1. Electronic Structure, Localization and 5f Occupancy in Pu Materials

    SciTech Connect

    Joyce, John J.; Beaux, Miles F.; Durakiewicz, Tomasz; Graham, Kevin S.; Bauer, Eric D.; Mitchell, Jeremy N.; Tobash, Paul H.; Richmond, Scott

    2012-05-03

    The electronic structure of delta plutonium ({delta}-Pu) and plutonium compounds is investigated using photoelectron spectroscopy (PES). Results for {delta}-Pu show a small component of the valence electronic structure which might reasonably be associated with a 5f{sup 6} configuration. PES results for PuTe are used as an indication for the 5f{sup 6} configuration due to the presence of atomic multiplet structure. Temperature dependent PES data on {delta}-Pu indicate a narrow peak centered 20 meV below the Fermi energy and 100 meV wide. The first PES data for PuCoIn5 indicate a 5f electronic structure more localized than the 5fs in the closely related PuCoGa{sub 5}. There is support from the PES data for a description of Pu materials with an electronic configuration of 5f{sup 5} with some admixture of 5f{sup 6} as well as a localized/delocalized 5f{sup 5} description.

  2. 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.

  3. 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.

  4. Challenges in superconductivity involving 5f electron states

    NASA Astrophysics Data System (ADS)

    Lander, G. H.

    2004-03-01

    The extent and variety of superconductivity in 5f electron systems has not been properly appreciated or investigated due to their scarcity, difficulty in handling, and (for transuranium materials) their self-heating. I will cover three examples of our current research effort. (1) Following the famous discovery of superconductivity at 18 K in PuCoGa5 we have now found the Rh analogue to be superconducting (9 K), and the Ir compound magnetic. Tc of both the Co and Rh compounds increase with pressure and exist still at 25 GPa. Particular attention will be given to experiments on the series AnCoGa5, with An = U, Np, Pu, and Am. (2) Am is superconducting at 0.8 K at ambient pressure and appears to be type-I with a low (Hc = 0.05 T) critical field. With increasing pressure the localized 5f states in Am become itinerant and Tc increases to 2.3 K, with Hc 1.3 T. We propose Am goes through a Mott transition at 7 GPa and the 5f states start to participate strongly in the superconductivity. (3) UPd2Al3 is an antiferromagnet (TN = 14 K) and exhibits a transition to bulk superconductivity at 2 K within the AF state. Using neutron inelastic scattering we have probed the low-energy excitations within the superfluid state, and show the results of new experiments using high magnetic fields (15 T) that do not destroy the AF state, but strongly modify the low-energy dynamics. The role of the strongly correlated 5f states in all these systems continues to present a challenge to our understanding of unconventional superconductivity. I acknowledge the work performed by many colleagues in both Karlsruhe and Grenoble: N. Bernhoeft, E. Blackburn, P. Boulet, E. Colineau, J-C. Griveau, A. Hiess, J. Rebizant, and F. Wastin.

  5. 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.

  6. Probing the 5f electrons: A relativistic DFT study of americium surfaces

    NASA Astrophysics Data System (ADS)

    Dholabhai, Pratik Pankajkumar

    Surface chemistry and physics have been and continues to be very active fields of research because of the obvious scientific and technological implications and consequent importance of such research. One of the many motivations for this burgeoning effort has been the desire to understand surface corrosion, metallurgy and catalytic activity in order to address environmental concerns. In particular, such efforts are important for a group of strongly correlated and heavy fermion systems like the actinides, for which experimental work is relatively difficult to perform due to material problems and toxicity. These metals are among the most complex of the long-lived elements, and in their solid state, they display some of the most unusual behaviors of any series in the periodic table, including very low melting temperatures, large anisotropic thermal expansion coefficients, very low symmetry crystal structures, and many solid-to-solid phase transitions. Radioactive and highly electropositive, the actinides are characterized by the gradual filling of the 5f electron shell with the degree of localization increasing with the atomic number Z along the last series of the periodic table and are divided into two subgroups. The first subgroup consisting of Th to Pu, where the atomic volumes decrease with increasing 5f electron population, generally consists of delocalized 5f electrons. The second subgroup starting from Am onwards, shows increasing atomic volume with increasing 5f electrons, with the 5f electrons being localized. The open shell of the 5f electrons determines the magnetic and solid state properties of the actinide elements and their compounds. However, these properties of the actinides, particularly the transuranium actinides, are still not clearly understood. This stems primarily from the inherent difficulty in understanding the behavior of the 5 f electrons, whose spatial extent and tendency to interact with electrons on ligand sites gives rise to the chemically

  7. 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

  8. Localized 5f antiferromagnetism in cubic UIn3 : I115n-NMR/NQR study

    NASA Astrophysics Data System (ADS)

    Sakai, Hironori; Kambe, Shinsaku; Tokunaga, Yo; Chudo, Hiroyuki; Tokiwa, Yoshifumi; Aoki, Dai; Haga, Yoshinori; Ōnuki, Yoshichika; Yasuoka, Hiroshi

    2009-03-01

    I115n nuclear magnetic resonance (NMR) and nuclear quadrupole resonance (NQR) measurements have been performed on an antiferromagnet UIn3 with the cubic AuCu3 -type structure. The NQR frequency (νQ) and Knight shift (K) of I115n in UIn3 have been estimated in the paramagnetic state from NMR experiments under applied field. The perpendicular component of transferred hyperfine coupling constant (A⊥) has been deduced from scaled behavior of K to the static susceptibility (χ) . Under zero field, the observation of the NQR spectrum has led to an estimated νQ of 11.8 MHz at 90 K. The temperature variation in the NQR relaxation rates (1/T1) far above the Néel temperature TN=88K approaches a constant value, which indicates a localized nature for the 5f electrons in this system. On the other hand, in the antiferromagnetically ordered state at 4 K (well below TN ), the I115n -NMR spectrum has been scanned over frequencies ranging from ˜20 to ˜70MHz under zero applied field. From the analysis of the NMR spectrum, we propose that the most plausible direction of antiferromagnetic U moments may be ⟨110⟩ among the possible orientations of ⟨100⟩ , ⟨110⟩ , or ⟨111⟩ .

  9. Itinerant ferromagnetism in actinide 5 f -electron systems: Phenomenological analysis with spin fluctuation theory

    NASA Astrophysics Data System (ADS)

    Tateiwa, Naoyuki; Pospíšil, Jiří; Haga, Yoshinori; Sakai, Hironori; Matsuda, Tatsuma D.; Yamamoto, Etsuji

    2017-07-01

    We have carried out an analysis of magnetic data in 69 uranium, 7 neptunium, and 4 plutonium ferromagnets with the spin fluctuation theory developed by Takahashi [Y. Takahashi, J. Phys. Soc. Jpn. 55, 3553 (1986), 10.1143/JPSJ.55.3553]. The basic and spin fluctuation parameters of the actinide ferromagnets are determined and the applicability of the spin fluctuation theory to actinide 5 f system has been discussed. Itinerant ferromagnets of the 3 d transition metals and their intermetallics follow a generalized Rhodes-Wohlfarth relation between peff/ps and TC/T0 , viz., peff/ps∝(TC/T0) -3 /2 . Here, ps, peff, TC, and T0 are the spontaneous and effective magnetic moments, the Curie temperature, and the width of spin fluctuation spectrum in energy space, respectively. The same relation is satisfied for TC/T0<1.0 in the actinide ferromagnets. However, the relation is not satisfied in a few ferromagnets with TC/T0˜1.0 that corresponds to local moment system in the spin fluctuation theory. The deviation from the theoretical relation may be due to several other effects not included in the spin fluctuation theory such as the crystalline electric field effect on the 5 f electrons from ligand atoms. The value of the spontaneous magnetic moment ps increases linearly as a function of TC/T0 in the uranium and neptunium ferromagnets below (TC/T0)kink=0.32 ±0.02 , where a kink structure appears in relation between the two quantities. ps increases more weakly above (TC/T0)kink. A possible interpretation with the TC/T0 dependence of ps is given.

  10. Beyond Spin-Orbit: Probing Electron Correlation in the Pu 5f States

    SciTech Connect

    Tobin, J G

    2006-05-08

    Experiments planned to address the issue of electron correlation in the Pu 5f states are described herein. The key is the utilization of the Fano Effect, the observation of spin polarization in nonmagnetic systems, using chiral excitation such as circularly polarized X-rays.

  11. Spin-orbit configuration interaction study of the electronic structure of the 5f (2) manifold of U(4+) and the 5f manifold of U(5+).

    PubMed

    Danilo, Cécile; Vallet, Valérie; Flament, Jean-Pierre; Wahlgren, Ulf

    2008-04-21

    The energy levels of the 5f configuration of U(5+) and 5f(2) configuration of U(4+) have been calculated in a dressed effective Hamiltonian relativistic spin-orbit configuration interaction framework. Electron correlation is treated in the scalar relativistic scheme with either the multistate multireference second-order multiconfigurational perturbation theory (MS-CASPT2) or with the multireference single and double configuration interaction (MRCI) and its size-extensive Davidson corrected variant. The CASPT2 method yields relative energies which are lower than those obtained with the MRCI method, the differences being the largest for the highest state (1)S(0) of the 5f(2) manifold. Both valence correlation effects and spin-orbit polarization of the outer-core orbitals are shown to be important. The satisfactory agreement of the results with experiments and four-component correlated calculations illustrates the relevance of dressed spin-orbit configuration interaction methods for spectroscopy studies of heavy elements.

  12. 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.

  13. 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.

  14. Electrical resistivity of 5 f -electron systems affected by static and dynamic spin disorder

    NASA Astrophysics Data System (ADS)

    Havela, L.; Paukov, M.; Buturlim, V.; Tkach, I.; Drozdenko, D.; Cieslar, M.; Mašková, S.; Dopita, M.; Matěj, Z.

    2017-06-01

    Metallic 5 f materials have very strong coupling of magnetic moments and electrons mediating electrical conduction. It is caused by strong spin-orbit interaction, coming with high atomic number Z , together with involvement of the 5 f states in metallic bonding. We have used the recently discovered class of uranium (ultra)nanocrystalline hydrides, which are ferromagnets with high ordering temperature, to disentangle the origin of negative temperature coefficient of electrical resistivity. In general, the phenomenon of electrical resistivity decreasing with increasing temperature in metals can have several reasons. The magnetoresistivity study of these hydrides reveals that quantum effects related to spin-disorder scattering can explain the resistivity behavior of a broad class of actinide compounds.

  15. 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.

  16. 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

  17. 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.

  18. 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.

  19. Adsorption of 5f-electron atoms (ThCm) on graphene surface: An all-electron ZORA-DFT study.

    PubMed

    Du, Jiguang; Jiang, Gang

    2017-12-15

    All-electron calculations were performed to investigate the adsorption of 5f-electron atoms (An=ThCm) on graphene surface. The hollow site is energetically preferred for the An-graphene complexes studied. The interaction strengths between An and C decrease in the order of Th>Pa>U>Np>Pu>Cm>Am. The AnC interactions show predominately closed-shell characteristics, meanwhile ThC chemical bond formed through orbital overlaps of Th (6d) and C (2p) possesses partial covalent nature. The participation of 6d(5f)-electron into bonding orbitals are gradually weakened (enhanced) from Th to Pu because the 5f electrons are more and more diffuse. The physisorption nature of Am on graphene was observed by the weak orbital overlaps between Am (6d) and C(2p) and the half-fill 5f occupancy. The magnetic moments of An-graphene species are mainly derived from the 5f-electron due to its high delocalization. The molecular orbital (MO) and charge decomposition analysis (CDA) indicate that the 6d orbitals of An atoms play a more important role in participation of bonds relative to the 5f orbital, as well as the strong linear correlation between 6d occupancy numbers and adsorption energy highlights the significant role of 6d-electron of An in the interaction. Copyright © 2017 Elsevier Inc. All rights reserved.

  20. Geometry and electronic structure of impurity-trapped excitons in Cs2GeF6:U4+ crystals. The 5f17s1 manifold.

    PubMed

    Ordejón, Belén; Seijo, Luis; Barandiarán, Zoila

    2007-05-21

    Excitons trapped at impurity centers in highly ionic crystals were first described by McClure and Pedrini [Phys. Rev. B 32, 8465 (1985)] as excited states consisting of a bound electron-hole pair with the hole localized on the impurity and the electron on nearby lattice sites, and a very short impurity-ligand bond length. In this work the authors present a detailed microscopic characterization of impurity-trapped excitons in U(4+)-doped Cs(2)GeF(6). Their electronic structure has been studied by means of relativistic ab initio model potential embedded cluster calculations on (UF(6))(2-) and (UF(6)Cs(8))(6+) clusters embedded in Cs(2)GeF(6), in combination with correlation methods based on multireference wave functions. The local geometry of the impurity-trapped excitons, their potential energy curves, and their multielectronic wave functions have been obtained as direct, nonempirical results of the methods. The calculated excited states appear to be significantly delocalized outside the UF(6) volume and their U-F bond length turns out to be very short, closer to that of a pentavalent uranium defect than to that of a tetravalent uranium defect. The wave functions of these excited states show a dominant U 5f(1)7s(1) configuration character. This result has never been anticipated by simpler models and reveals the unprecedented ability of diffuse orbitals of f-element impurities to act as electron traps in ionic crystals.

  1. Electron-phonon superconductivity in LaO{sub 0.5}F{sub 0.5}BiSe{sub 2}

    SciTech Connect

    Feng, Yanqing; Du, Yongping; Wan, Xiangang Wang, Bogen; Ding, Hang-Chen; Savrasov, Sergey Y.; Duan, Chun-Gang

    2014-06-21

    We report density functional calculations of the electronic structure, Fermi surface, phonon spectrum and electron–phonon coupling for the newly discovered superconductor LaO{sub 0.5}F{sub 0.5}BiSe{sub 2}. It is confirmed that there is a strong Fermi surface nesting at (π,π,0), which results in unstable phonon branches. Combining the frozen phonon total energy calculations and an anharmonic oscillator model, we find that the quantum fluctuation prevents the appearance of static long–range order. The calculation shows that LaO{sub 0.5}F{sub 0.5}BiSe{sub 2} is highly anisotropic, and same as its cousin LaO{sub 0.5}F{sub 0.5}BiS{sub 2}, this compound is also a conventional electron-phonon coupling induced superconductor.

  2. 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.

  3. Role of the local structure in superconductivity of LaO0.5F0.5BiS2-x Se x system.

    PubMed

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

    2017-04-12

    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 [Formula: see text]. 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.

  4. 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.

  5. 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. This journal is © the Owner Societies 2011

  6. The role of the 5f valence orbitals of early actinides in chemical bonding

    PubMed Central

    Vitova, T.; Pidchenko, I.; Fellhauer, D.; Bagus, P. S.; Joly, Y.; Pruessmann, T.; Bahl, S.; Gonzalez-Robles, E.; Rothe, J.; Altmaier, M.; Denecke, M. A.; Geckeis, H.

    2017-01-01

    One of the long standing debates in actinide chemistry is the level of localization and participation of the actinide 5f valence orbitals in covalent bonds across the actinide series. Here we illuminate the role of the 5f valence orbitals of uranium, neptunium and plutonium in chemical bonding using advanced spectroscopies: actinide M4,5 HR-XANES and 3d4f RIXS. Results reveal that the 5f orbitals are active in the chemical bonding for uranium and neptunium, shown by significant variations in the level of their localization evidenced in the spectra. In contrast, the 5f orbitals of plutonium appear localized and surprisingly insensitive to different bonding environments. We envisage that this report of using relative energy differences between the 5fδ/ϕ and 5fπ*/5fσ* orbitals as a qualitative measure of overlap-driven actinyl bond covalency will spark activity, and extend to numerous applications of RIXS and HR-XANES to gain new insights into the electronic structures of the actinide elements. PMID:28681848

  7. The role of the 5f valence orbitals of early actinides in chemical bonding.

    PubMed

    Vitova, T; Pidchenko, I; Fellhauer, D; Bagus, P S; Joly, Y; Pruessmann, T; Bahl, S; Gonzalez-Robles, E; Rothe, J; Altmaier, M; Denecke, M A; Geckeis, H

    2017-07-06

    One of the long standing debates in actinide chemistry is the level of localization and participation of the actinide 5f valence orbitals in covalent bonds across the actinide series. Here we illuminate the role of the 5f valence orbitals of uranium, neptunium and plutonium in chemical bonding using advanced spectroscopies: actinide M4,5 HR-XANES and 3d4f RIXS. Results reveal that the 5f orbitals are active in the chemical bonding for uranium and neptunium, shown by significant variations in the level of their localization evidenced in the spectra. In contrast, the 5f orbitals of plutonium appear localized and surprisingly insensitive to different bonding environments. We envisage that this report of using relative energy differences between the 5fδ/φ and 5fπ*/5fσ* orbitals as a qualitative measure of overlap-driven actinyl bond covalency will spark activity, and extend to numerous applications of RIXS and HR-XANES to gain new insights into the electronic structures of the actinide elements.

  8. The role of the 5f valence orbitals of early actinides in chemical bonding

    NASA Astrophysics Data System (ADS)

    Vitova, T.; Pidchenko, I.; Fellhauer, D.; Bagus, P. S.; Joly, Y.; Pruessmann, T.; Bahl, S.; Gonzalez-Robles, E.; Rothe, J.; Altmaier, M.; Denecke, M. A.; Geckeis, H.

    2017-07-01

    One of the long standing debates in actinide chemistry is the level of localization and participation of the actinide 5f valence orbitals in covalent bonds across the actinide series. Here we illuminate the role of the 5f valence orbitals of uranium, neptunium and plutonium in chemical bonding using advanced spectroscopies: actinide M4,5 HR-XANES and 3d4f RIXS. Results reveal that the 5f orbitals are active in the chemical bonding for uranium and neptunium, shown by significant variations in the level of their localization evidenced in the spectra. In contrast, the 5f orbitals of plutonium appear localized and surprisingly insensitive to different bonding environments. We envisage that this report of using relative energy differences between the 5fδ/φ and 5fπ*/5fσ* orbitals as a qualitative measure of overlap-driven actinyl bond covalency will spark activity, and extend to numerous applications of RIXS and HR-XANES to gain new insights into the electronic structures of the actinide elements.

  9. Localization of electrons and excitations

    NASA Astrophysics Data System (ADS)

    Larsson, Sven

    2006-07-01

    Electrons, electron holes, or excitations in finite or infinite 'multimer systems' may be localized or delocalized. In the theory of Hush, localization depends on the ratio Δ/ λ ( Δ/2 = coupling; λ = reorganization energy). The latter theory has been extended to the infinite system [S. Larsson, A. Klimkāns, Mol. Cryst. Liq. Cryst. 355 (2000) 217]. The metal/insulator transition often takes place abruptly as a function of Δ/ λ. It is argued that localization in a system with un-filled bands cannot be determined on the basis of Mott-Hubbard U alone, but depends on the number of accessible valence states, reorganization energy λ and coupling Δ (=2t). In fact U = 0 does not necessarily imply delocalization. The analysis here shows that there are many different situations for an insulator to metal transition. Charge transfer in doped NiO is characterized by Ni 2+ - Ni 3+ exchange while charge transfer in pure NiO is characterized by a disproportionation 2Ni 2+ → Ni + + Ni 3+. In spite of the great differences between these two cases, U has been applied without discrimination to both. The relevant localization parameters appear to be Δ and λ in the first case, with only two oxidation states, and U, Δ and λ in the second case with three oxidation states. The analysis is extended to insulator-metal transitions, giant magnetic resistance (GMR) and high Tc superconductivity (SC). λ and Δ can be determined quite accurately in quantum mechanical calculations involving only one and two monomers, respectively.

  10. 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

  11. 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

  12. Does covalency really increase across the 5f series? A comparison of molecular orbital, natural population, spin and electron density analyses of AnCp3 (An = Th-Cm; Cp = η(5)-C5H5).

    PubMed

    Kirker, Ian; Kaltsoyannis, Nikolas

    2011-01-07

    The title compounds are studied with scalar relativistic, gradient-corrected (PBE) and hybrid (PBE0) density functional theory. The metal-Cp centroid distances shorten from ThCp(3) to NpCp(3), but lengthen again from PuCp(3) to CmCp(3). Examination of the valence molecular orbital structures reveals that the highest-lying Cp π(2,3)-based orbitals transform as 1e + 2e + 1a(1) + 1a(2). Above these levels come the predominantly metal-based 5f orbitals, which stabilise across the actinide series such that in CmCp(3) the 5f manifold is at more negative energy than the Cp π(2,3)-based levels. Mulliken population analysis shows metal d orbital participation in the e symmetry Cp π(2,3)-based orbitals. Metal 5f character is found in the 1a(1) and 1a(2) levels, and this contribution increases significantly from ThCp(3) to AmCp(3). This is in agreement with the metal spin densities, which are enhanced above their formal value in NpCp(3), PuCp(3) and especially AmCp(3) with both PBE and PBE0. However, atoms-in-molecules analysis of the electron densities indicates that the An-Cp bonding is very ionic, increasingly so as the actinide becomes heavier. It is concluded that the large metal orbital contributions to the Cp π(2,3)-based levels, and enhanced metal spin densities toward the middle of the actinide series arise from a coincidental energy match of metal and ligand orbitals, and do not reflect genuinely increased covalency (in the sense of appreciable overlap between metal and ligand levels and a build up of electron density in the region between the actinide and carbon nuclei).

  13. Electronic structure of ThRu2Si2 studied by angle-resolved photoelectron spectroscopy: Elucidating the contribution of U 5 f states in URu2Si2

    NASA Astrophysics Data System (ADS)

    Fujimori, Shin-ichi; Kobata, Masaaki; Takeda, Yukiharu; Okane, Tetsuo; Saitoh, Yuji; Fujimori, Atsushi; Yamagami, Hiroshi; Matsumoto, Yuji; Yamamoto, Etsuji; Tateiwa, Naoyuki; Haga, Yoshinori

    2017-09-01

    The electronic structure of ThRu2Si2 was studied using angle-resolved photoelectron spectroscopy (ARPES) with incident photon energies of h ν =655 -745 eV. Detailed band structure and the three-dimensional shapes of Fermi surfaces were derived experimentally, and their characteristic features were mostly explained by means of band-structure calculations based on density-functional theory. Comparison of the experimental ARPES spectra of ThRu2Si2 with those of URu2Si2 shows that they have considerably different spectral profiles, particularly in the energy range of 1 eV from the Fermi level, suggesting that U 5 f states are substantially hybridized in these bands. The relationship between the ARPES spectra of URu2Si2 and ThRu2Si2 is very different from the one between the ARPES spectra of CeRu2Si2 and LaRu2Si2 , where the intrinsic difference in their spectra is limited only in the very vicinity of the Fermi energy. The present result suggests that the U 5 f electrons in URu2Si2 have strong hybridization with ligand states and have an essentially itinerant character.

  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. Natural geometric representation for electron local observables

    SciTech Connect

    Minogin, V.G.

    2014-03-15

    An existence of the quartic identities for the electron local observables that define orthogonality relations for the 3D quantities quadratic in the electron observables is found. It is shown that the joint solution of the quartic and bilinear identities for the electron observables defines a unique natural representation of the observables. In the natural representation the vector type electron local observables have well-defined fixed positions with respect to a local 3D orthogonal reference frame. It is shown that the natural representation of the electron local observables can be defined in six different forms depending on a choice of the orthogonal unit vectors. The natural representation is used to determine the functional dependence of the electron wave functions on the local observables valid for any shape of the electron wave packet. -- Highlights: •Quartic identities that define the orthogonality relations for the electron local observables are found. •Joint solution of quartic and bilinear identities defines a unique natural representation of the electron local observables. •Functional dependence of the electron wave functions on the electron local observables is determined.

  16. Local control approach to ultrafast electron transfer

    NASA Astrophysics Data System (ADS)

    Vindel-Zandbergen, Patricia; Meier, Christoph; Sola, Ignacio R.

    2016-10-01

    We study ultrafast electron transfer between separated nuclei using local control theory. By imposing electron ionization and electron transport through the continuum, different local control formulations are used to increase the yield of retrapping the electron at the desired nuclei. The control mechanism is based on impulsive de-excitation. Both symmetric and asymmetric nuclear arrangements are analyzed, as well as the role of the nuclear motion.

  17. Electron acceleration by a localized Bernstein mode

    NASA Astrophysics Data System (ADS)

    Kumar, Asheel

    2017-07-01

    An analytical framework for electron acceleration by an axially localized large amplitude electron Bernstein mode in a magnetized plasma is developed. The mode is localized due to plasma density profile or magnetic field profile and could be excited by launching an electron cyclotron wave from out side. A mildly pre-accelerated electron beam of finite Larmor radius resonantly interacts with the mode and gains axial energy as well as transverse energy. The scheme is suitable for producing electron beams of energy upto several MeV.

  18. How do electron localization functions describe π-electron delocalization?

    PubMed

    Steinmann, Stephan N; Mo, Yirong; Corminboeuf, Clemence

    2011-12-14

    Scalar fields provide an intuitive picture of chemical bonding. In particular, the electron localization function (ELF) has proven to be highly valuable in interpreting a broad range of bonding patterns. The discrimination between enhanced or reduced electron (de)localization within cyclic π-conjugated systems remains, however, challenging for ELF. In order to clearly distinguish between the local properties of ten highly and weakly π-(de)localized prototype systems, we compare the ELFs of both the canonical wave functions and electron-localized states (diabatic) with those of two closely related scalar fields: the electron localizability indicator (ELI-D) and the localized orbital locator (LOL). The simplest LOL function distinguishes enhanced from weak π-(de)localization in an insightful and reliable manner. LOL offers the finest contrast between annulenes with 4n/4n + 2 π electrons and their inorganic analogues as well as between hyperconjugated cyclopentadiene derivatives. LOL(π) also gives an appealing and intuitive picture of the π-bond. In contrast, the most popular ELF fails to capture subtle contrasting local electronic properties and suffers from the arbitrariness of the σ/π dissection. The orbital separation of the most recent ELI-D is clear-cut but the interpretations sometime less straightforward in the present context.

  19. 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.

  20. Local orbitals in electron scattering calculations*

    NASA Astrophysics Data System (ADS)

    Winstead, Carl L.; McKoy, Vincent

    2016-05-01

    We examine the use of local orbitals to improve the scaling of calculations that incorporate target polarization in a description of low-energy electron-molecule scattering. After discussing the improved scaling that results, we consider the results of a test calculation that treats scattering from a two-molecule system using both local and delocalized orbitals. Initial results are promising. Contribution to the Topical Issue "Advances in Positron and Electron Scattering", edited by Paulo Limao-Vieira, Gustavo Garcia, E. Krishnakumar, James Sullivan, Hajime Tanuma and Zoran Petrovic.

  1. Local electron heating in nanoscopic conductors

    NASA Astrophysics Data System (ADS)

    D'Agosta, Roberto; Sai, Na; di Ventra, Massimiliano

    2007-03-01

    The electron current density in nanoscale junctions is typically several orders of magnitude larger than the corresponding one in bulk electrodes. Consequently, the electron-electron scattering rate increases substantially in the junction. This leads to local electron heating of the underlying Fermi sea [1] in analogy to the local ionic heating that is due to the increased electron-phonon scattering rates [2]. By using a novel hydrodynamic formulation of transport [3], we predict the bias dependence of local electron heating in quasi-ballistic nanoscale conductors [1], its effect on ionic heating [1], and the consequent observable changes in the inelastic conductance [4]. [1] R. D'Agosta, N. Sai and M. Di Ventra, accepted in Nano Letters (2006). [2] Y.-C. Chen, M. Zwolak, and M. Di Ventra, Nano Lett. 3, 1961 (2003); Nano Lett. 4, 1709 (2004); Nano Lett. 5, 621 (2005). M. J. Montgomery, T. N. Todorov, and A. P. Sutton, J. Phys. Cond. Matt. 14, 5377 (2002). [3] R. D'Agosta and M. Di Ventra, J. Phys. Cond. Matt. in press. [4] R. D'Agosta and M. Di Ventra, in preparation.

  2. 5f3 --> 5f 26d1 absorption spectrum analysis of U3+-SrCl2.

    PubMed

    Karbowiak, Mirosław

    2005-04-28

    The 5f3--> 5f26d1 absorption spectra of the U3+ ions incorporated in SrCl2 single crystals were recorded at 4.2 K in the 15,000-50,000 cm(-1) spectral range. From an analysis of the vibronic structure, 32 zero-phonon lines corresponding to transitions from the 4I9/2 ground multiplet of the 5f3 configuration to the 5f26d(eg)1 excited levels were assigned. A theoretical model proposed by Reid et al. (Reid, H. F.; van Pieterson, L.; Wegh, R. T.; Meijerink, A. Phys. Rev. B 2000, 62, 14744) that extends the established model for energy-level calculations of nf N states has been applied for analysis of the spectrum. The Fk(ff) (k = 2, 4), zeta(5f)(ff), B0(4)(ff), B0(6)(ff), Fk(fd) (k = 2, 4), and Gj(fd) (j = 1, 3) Hamiltonian parameters were determined by a least-squares fitting of the calculated energies to the experimental data. A good overall agreement between the calculated and experimentally observed energy levels has been achieved, with the root-mean-square (rms) deviation equal to 95 cm(-1) for 32 fitted levels and 9 varied parameters. Adjusted values of Fk(ff) and zeta(5f)(ff) parameters for the 5f2 core electrons are closer to the values characteristic of the 5f2 (U4+) configuration than to those of the 5f3 (U3+) configuration. For the U3+ ion, the f-d Coulomb interaction parameters are significantly more reduced from the values calculated using Cowan's computer code than they are for lanthanide ions. Moreover, because of weaker f-d Coulomb interactions for the U3+ ion than for the isoelectronic Nd3+ lanthanide ion, the very simple model assuming the coupling of crystal-field levels of the 6d1 electron with the lattice and the multiplet structure of the 5f2 configuration may be employed for the qualitative description of the general structure of the U3+ ion f-d spectrum.

  3. Excess Electron Localization in Solvated DNA Bases

    SciTech Connect

    Smyth, Maeve; Kohanoff, Jorge

    2011-06-10

    We present a first-principles molecular dynamics study of an excess electron in condensed phase models of solvated DNA bases. Calculations on increasingly large microsolvated clusters taken from liquid phase simulations show that adiabatic electron affinities increase systematically upon solvation, as for optimized gas-phase geometries. Dynamical simulations after vertical attachment indicate that the excess electron, which is initially found delocalized, localizes around the nucleobases within a 15 fs time scale. This transition requires small rearrangements in the geometry of the bases.

  4. Electron localization following attosecond molecular photoionization.

    PubMed

    Sansone, G; Kelkensberg, F; Pérez-Torres, J F; Morales, F; Kling, M F; Siu, W; Ghafur, O; Johnsson, P; Swoboda, M; Benedetti, E; Ferrari, F; Lépine, F; Sanz-Vicario, J L; Zherebtsov, S; Znakovskaya, I; L'huillier, A; Ivanov, M Yu; Nisoli, M; Martín, F; Vrakking, M J J

    2010-06-10

    For the past several decades, we have been able to directly probe the motion of atoms that is associated with chemical transformations and which occurs on the femtosecond (10(-15)-s) timescale. However, studying the inner workings of atoms and molecules on the electronic timescale has become possible only with the recent development of isolated attosecond (10(-18)-s) laser pulses. Such pulses have been used to investigate atomic photoexcitation and photoionization and electron dynamics in solids, and in molecules could help explore the prompt charge redistribution and localization that accompany photoexcitation processes. In recent work, the dissociative ionization of H(2) and D(2) was monitored on femtosecond timescales and controlled using few-cycle near-infrared laser pulses. Here we report a molecular attosecond pump-probe experiment based on that work: H(2) and D(2) are dissociatively ionized by a sequence comprising an isolated attosecond ultraviolet pulse and an intense few-cycle infrared pulse, and a localization of the electronic charge distribution within the molecule is measured that depends-with attosecond time resolution-on the delay between the pump and probe pulses. The localization occurs by means of two mechanisms, where the infrared laser influences the photoionization or the dissociation of the molecular ion. In the first case, charge localization arises from quantum mechanical interference involving autoionizing states and the laser-altered wavefunction of the departing electron. In the second case, charge localization arises owing to laser-driven population transfer between different electronic states of the molecular ion. These results establish attosecond pump-probe strategies as a powerful tool for investigating the complex molecular dynamics that result from the coupling between electronic and nuclear motions beyond the usual Born-Oppenheimer approximation.

  5. Impurities and electronic localization in graphene bilayers

    NASA Astrophysics Data System (ADS)

    Ojeda Collado, H. P.; Usaj, Gonzalo; Balseiro, C. A.

    2015-01-01

    We analyze the electronic properties of bilayer graphene with Bernal stacking and a low concentration of adatoms. Assuming that the host bilayer lies on top of a substrate, we consider the case where impurities are adsorbed only on the upper layer. We describe nonmagnetic impurities as a single orbital hybridized with carbon's pz states. The effect of impurity doping on the local density of states with and without a gated electric field perpendicular to the layers is analyzed. We look for Anderson localization in the different regimes and estimate the localization length. In the biased system, the field-induced gap is partially filled by strongly localized impurity states. Interestingly, the structure, distribution, and localization length of these states depend on the field polarization.

  6. Anderson Localization and the Electron Glass

    NASA Astrophysics Data System (ADS)

    Pastor, A. A.; Dobrosavljevic, V.

    2000-03-01

    In recent work [1], we have formulated a dynamical mean-field (DMF) approach to the electron glass problem, which is exact in the large coordination limit. However, this theory ignores Anderson localization effects, since it reduces to the CPA formulation in the limit of noninteracting electrons. In the present study, we extend our formulation to incorporate Anderson localization in a fashion similar to the previous DMF approaches to the Mott-Anderson transition [2]. We find that localization strongly enhances the glass phase, and stabilizes the existence of the Coulomb gap in the entire insulating region. Interstingly, our formulation suggests the existence of an intermediate metallic glass phase, which is expected to display non-Fermi liquid features. [1] A. A. Pastor and V. Dobrosavljevic, Phys. Rev. Lett. 83, 4642 (1999). [2] V. Dobrosavljevic and G. Kotliar, Phys. Rev. Lett. 78, 3943 (1997).

  7. 5-F catheter in cerebral angiography

    SciTech Connect

    O'Reilly, G.V.; Naheedy, M.H.; Colucci, V.M.; Hammerschlag, S.B.

    1981-11-01

    Although the 5-F catheter is reputed to cause less vascular trauma than larger catheters, subintimal injections of contrast material have occurred following intimal damage by the catheter tip. Microscopic studies of the tips of two widely used 5-F polyethylene catheters have revealed a difference in configuration resulting in one of the catheters becoming markedly damaged during angiography. The authors make recommendations for finishing and protecting the catheter tip.

  8. Electronically controllable spoof localized surface plasmons

    NASA Astrophysics Data System (ADS)

    Zhou, Yong Jin; Zhang, Chao; Yang, Liu; Xun Xiao, Qian

    2017-10-01

    Electronically controllable multipolar spoof localized surface plasmons (LSPs) are experimentally demonstrated in the microwave frequencies. It has been shown that half integer order LSPs modes exist on the corrugated ring loaded with a slit, which actually arise from the Fabry–Perot-like resonances. By mounting active components across the slit in the corrugated rings, electronic switchability and tunability of spoof LSPs modes have been accomplished. Both simulated and measured results demonstrate efficient dynamic control of the spoof LSPs. These elements may form the basis of highly integrated programmable plasmonic circuits in microwave and terahertz regimes.

  9. Correlative photoactivated localization and scanning electron microscopy.

    PubMed

    Kopek, Benjamin G; Shtengel, Gleb; Grimm, Jonathan B; Clayton, David A; Hess, Harald F

    2013-01-01

    The ability to localize proteins precisely within subcellular space is crucial to understanding the functioning of biological systems. Recently, we described a protocol that correlates a precise map of fluorescent fusion proteins localized using three-dimensional super-resolution optical microscopy with the fine ultrastructural context of three-dimensional electron micrographs. While it achieved the difficult simultaneous objectives of high photoactivated fluorophore preservation and ultrastructure preservation, it required a super-resolution optical and specialized electron microscope that is not available to many researchers. We present here a faster and more practical protocol with the advantage of a simpler two-dimensional optical (Photoactivated Localization Microscopy (PALM)) and scanning electron microscope (SEM) system that retains the often mutually exclusive attributes of fluorophore preservation and ultrastructure preservation. As before, cryosections were prepared using the Tokuyasu protocol, but the staining protocol was modified to be amenable for use in a standard SEM without the need for focused ion beam ablation. We show the versatility of this technique by labeling different cellular compartments and structures including mitochondrial nucleoids, peroxisomes, and the nuclear lamina. We also demonstrate simultaneous two-color PALM imaging with correlated electron micrographs. Lastly, this technique can be used with small-molecule dyes as demonstrated with actin labeling using phalloidin conjugated to a caged dye. By retaining the dense protein labeling expected for super-resolution microscopy combined with ultrastructural preservation, simplifying the tools required for correlative microscopy, and expanding the number of useful labels we expect this method to be accessible and valuable to a wide variety of researchers.

  10. Theory of electron localization in disordered systems

    NASA Astrophysics Data System (ADS)

    Arnold, Wolfram Till

    2000-10-01

    The effects of disorder penetrate many areas of physics. A question of fundamental interest is how disorder affects the conductance of a material. In this dissertation, we have studied the quantum mechanical transmittance of disordered samples which dominates the conductance in the low-temperature regime where phase-destroying, inelastic scattering events are infrequent. When the phase is conserved, disorder may eventually lead to a localization of the wave-function, and hence insulating behavior, through destructive interference between different components of the wavefunction. While many phenomena are attributed to an interplay of disorder and carrier interactions, non-interacting models, specifically the Anderson model, display surprising complexity and despite a large body of research, some aspects have remained inconclusive. For the Anderson model, our findings indicate that in one dimension, all states are exponentially localized. In two dimensions, the states are localized with a power law at low disorders, which turns into an exponential law at a disorder strength of about W ≥ 12. A mobility edge between center-of-band states and edge states persists up to the highest studied disorder of W = 30, indicating a qualitative difference in the localization. In three dimensions, the states are delocalized up to a disorder of around W = 8. Beyond that, the system exhibits only power-law localization up the highest disorder considered, W = 24. A sharp mobility edge exists and moves outward with increasing disorder. This supports a qualitative difference between center-of-band states and edge states. In the second part of this dissertation, we address recent experimental findings of an apparent 2D metal-insulator transition in high-mobility Silicon MOS-FETs. Owing to the low carrier density, electron-electron interaction effects are considered to play an important role in this effect. Using a simple interacting model based on the Hubbard Hamiltonian and including

  11. 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.

  12. Orbital selective Mott transition in 3D and 5F materials

    NASA Astrophysics Data System (ADS)

    Toropova, Antonina

    We study two types of strongly correlated electron systems in the example of the transition oxide CrO2 and actinide series. We found that the physics of both types of materials can be interpreted and discussed using concept of orbital selective Mott transition (OSMT). The theory of OSMT is discussed in framework of the multiorbital Hubbard model applied to the description of t2g orbitals of Cr atoms in chromium dioxide as well as in the framework of a more generalized model for 5f materials containing both Hubbard-like and Anderson-like contributions. The electronic structure, transport, and magnetic properties of selected compounds are investigated by means of Ab Initio calculations. The many body techniques such as LDA+U and dynamical mean field theory (DMFT) have been used in addition to density functional based local density approximation (LDA) method. The half-metallic ferromagnet CrO2 has been shown to demonstrate effectively weakly correlated behavior in ordered state due to big exchange splitting within t2g orbitals. The detailed DMFT study with Quantum Monte Carlo (QMC) impurity solver revealed that in the paramagnetic state this compound was on the edge of a quantum transition. In the case of the actinide series we first demonstrated the choice of basis which optimum for DMFT based calculations. By means of detailed one-electron band structure analysis we showed that hybridization term of 5f-orbitals with conduction electrons must be included in the actinide Hamiltonian due to permanent presence of uncorrelated states at Fermi level. We conclude study of 5f-materials presenting tight-binding parametrization and exploring magnetic characteristics.

  13. Local moment formation in Dirac electrons

    NASA Astrophysics Data System (ADS)

    Mashkoori, M.; Mahyaeh, I.; Jafari, S. A.

    2015-04-01

    Elemental bismuth and its compounds host strong spin-orbit interaction which is at the heart of topologically non-trivial alloys based on bismuth. These class of materials are described in terms of 4x4 matrices at each v point where spin and orbital labels of the underlying electrons are mixed. In this work we investigate the single impurity Anderson model (SIAM) within a mean field approximation to address the nature of local magnetic moment formation in a generic Dirac Hamiltonian. Despite the spin-mixing in the Hamiltonian, within the Hartree approximation it turns out that the impuritys Green function is diagonal in spin label. In the three dimensional Dirac materials defined over a bandwidth D and spin-orbit parameter γ, that hybridizes with impurity through V, a natural dimensionless parameter V2D/2πγ3 emerges. So neither the hybridization strength, V, nor the spin-orbit coupling γ, but a combination thereof governs the phase diagram. By tuning chemical potential and the impurity level, we present phase diagram for various values of Hubbard U. Numerical results suggest that strong spin-orbit coupling enhances the local moment formation both in terms of its strength and the area of the local moment region. In the case that we tune the chemical potential in a similar way as normal metal we find that magnetic region is confined to μ ≥ ε0, in sharp contrast to 2D Dirac fermions. If one fixes the chemical potential and tunes the impurity level, phase diagram has two magnetic regions which corresponds to hybridization of impurity level with lower and upper bands.

  14. Northrop F-5F shark nose development

    NASA Technical Reports Server (NTRS)

    Edwards, O. R.

    1978-01-01

    During spin susceptibility testing of the Northrop F-5F airplane, two erect spin entries were obtained from purely longitudinal control inputs at low speed. Post flight analysis of the data showed that the initial yaw departure occurred at zero sideslip, and review of wind tunnel data showed significant yawing moments present at angles of attack well above stall. Further analysis of this wind tunnel data indicated that the yawing moments were being generated by the long slender nose of the airplane. Redesign of the nose was accomplished, resulting in a nose configuration which completely alleviated the asymmetric yawing moments.

  15. 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.

  16. On the electron density localization in elemental cubic ceramic and FCC transition metals by means of a localized electrons detector

    NASA Astrophysics Data System (ADS)

    Aray, Yosslen; Paredes, Ricardo; Álvarez, Luis Javier; Martiz, Alejandro

    2017-06-01

    The electron density localization in insulator and semiconductor elemental cubic materials with diamond structure, carbon, silicon, germanium, and tin, and good metallic conductors with face centered cubic structure such as α-Co, Ni, Cu, Rh, Pd, Ag, Ir, Pt, and Au, was studied using a localized electrons detector defined in the local moment representation. Our results clearly show an opposite pattern of the electron density localization for the cubic ceramic and transition metal materials. It was found that, for the elemental ceramic materials, the zone of low electron localization is very small and is mainly localized on the atomic basin edges. On the contrary, for the transition metals, there are low-valued localized electrons detector isocontours defining a zone of highly delocalized electrons that extends throughout the material. We have found that the best conductors are those in which the electron density at this low-value zone is the lowest.

  17. Local electronic properties of organic semiconductor interfaces

    NASA Astrophysics Data System (ADS)

    Blumenfeld, Michael L.

    Understanding organic semiconductor interfaces is critical to developing organic photovoltaics (OPV). OPV interfaces are disordered due to weak intermolecular interactions, resulting in diverse charge transfer micro-environments. I present experimental data isolating high-order intermolecular interactions controlling interfacial energy level alignment and describe new instrumental capabilities providing access to the local electronic and kinetic landscape at organic semiconductor interfaces. Interface formation between vanadyl naphthalocyanine (VONc) and highly ordered pyrolytic graphite (HOPG) is investigated. Ultraviolet photoemission spectroscopy (UPS) shows that the VONc binding energy (BE) decouples from the work function, shifting in an opposite direction and contradicting the standard interface dipole model. This effect is quantitatively described using an electrostatic depolarization model and confirmed by simulations which show an inhomogeneous potential at the interface. New data and literature values suggest orthogonality between polarizability and molecular dipole in polar porphyrazines. Their potential for interface engineering is discussed. The electron-rich Au(111)/VONc interface is investigated. The organic layer induces a large interface dipole in Au(111) which can be fit to a depolarization model. Ionization potential and depolarization data suggest that the second VONc layer on Au(111) adopts a tilted geometry. Electrostatic differences between Au(111)/VONc and HOPG/VONc are discussed, demonstrating that interface dipole contributions are not interchangeable. The surface states of the Au(111)/VONc interface are characterized by angle resolved 2-photon photoemission to determine the magnitude of the perturbation. The measured free-electron-like effective mass and BE destabilization of the Shockley state is attributed to step edges caused by lifting the Au(111) (22x 3 ) reconstruction. The Shockley state is accessible primarily through resonance

  18. The Local Electronic Library: Science Fiction or the Real Future?

    ERIC Educational Resources Information Center

    Cuadra, Carlos A.

    1983-01-01

    Addresses the question of whether interest in downloading into local electronic libraries is a reflection of user needs or is being generated by those who have something to sell. Growth of online services, growth of local computer capacity, purposes of a local electronic library, and sources of data are highlighted. (EJS)

  19. The Local Electronic Library: Science Fiction or the Real Future?

    ERIC Educational Resources Information Center

    Cuadra, Carlos A.

    1983-01-01

    Addresses the question of whether interest in downloading into local electronic libraries is a reflection of user needs or is being generated by those who have something to sell. Growth of online services, growth of local computer capacity, purposes of a local electronic library, and sources of data are highlighted. (EJS)

  20. 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

  1. 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.

  2. 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

  3. A new designer drug 5F-ADB activates midbrain dopaminergic neurons but not serotonergic neurons.

    PubMed

    Asaoka, Nozomi; Kawai, Hiroyuki; Nishitani, Naoya; Kinoshita, Haruko; Shibui, Norihiro; Nagayasu, Kazuki; Shirakawa, Hisashi; Kaneko, Shuji

    2016-01-01

    N-[[1-(5-fluoropentyl)-1H-indazol-3-yl]carbonyl]-3-methyl-D-valine methyl ester (5F-ADB) is one of the most potent synthetic cannabinoids and elicits severe psychotic symptoms in humans, sometimes causing death. To investigate the neuronal mechanisms underlying its toxicity, we examined the effects of 5F-ADB on midbrain dopaminergic and serotonergic systems, which modulate various basic brain functions such as those in reward-related behavior. 5F-ADB-induced changes in spontaneous firing activity of dopaminergic and serotonergic neurons were recorded by ex vivo electrophysiological techniques. In dopaminergic neurons, 5F-ADB (1 μM) significantly increased the spontaneous firing rate, while 5F-ADB failed to activate dopaminergic neurons in the presence of the CB1 antagonist AM251 (1 μM). However, the same concentration of 5F-ADB did not affect serotonergic-neuron activity. These results suggest that 5F-ADB activates local CB1 receptors and potentiates midbrain dopaminergic systems with no direct effects on midbrain serotonergic systems.

  4. 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.

  5. (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.

  6. Imaging of localized electronic states at a nonconducting surface by single-electron tunneling force microscopy.

    PubMed

    Bussmann, Ezra B; Zheng, Ning; Williams, Clayton C

    2006-11-01

    Localized electronic states near a nonconducting SiO(2) surface are imaged on a approximately 1 nm scale by single-electron tunneling between the states and a scanning probe tip. Each tunneling electron is detected by electrostatic force. The images represent the number of tunneling electrons at each spatial location. The spatial resolution of the single electron tunneling force microscope is determined by quantum mechanical tunneling, providing new atomic-scale access to electronic states in dielectric surfaces and nonconducting nanostructures.

  7. Electron localization of anions probed by nitrile vibrations

    DOE PAGES

    Mani, Tomoyasu; Grills, David C.; Newton, Marshall D.; ...

    2015-08-02

    Localization and delocalization of electrons is a key concept in chemistry, and is one of the important factors determining the efficiency of electron transport through organic conjugated molecules, which have potential to act as “molecular wires”. This, in turn, substantially influences the efficiencies of organic solar cells and other molecular electronic devices. It is also necessary to understand the electronic energy landscape and the dynamics of electrons through molecular chain that govern their transport capabilities in one-dimensional conjugated chains so that we can better define the design principles of conjugated molecules for their applications. We show that nitrile ν(C≡N) vibrationsmore » respond to the degree of electron localization in nitrile-substituted organic anions by utilizing time-resolved infrared (TRIR) detection combined with pulse radiolysis. Measurements of a series of aryl nitrile anions allow us to construct a semi-empirical calibration curve between the changes in the ν(C≡N) IR shifts and the changes in the electronic charges from the neutral to the anion states in the nitriles; more electron localization in the nitrile anion results in larger IR shifts. Furthermore, the IR linewidth in anions can report a structural change accompanying changes in the electronic density distribution. Probing the shift of the nitrile ν(C≡N) IR vibrational bands enables us to determine how the electron is localized in anions of nitrile-functionalized oligofluorenes, considered as organic mixed-valence compounds. We estimate the diabatic electron transfer distance, electronic coupling strengths, and energy barriers in these organic mixed-valence compounds. The analysis reveals a dynamic picture, showing that the electron is moving back and forth within the oligomers with a small activation energy of ≤ kBT, likely controlled by the movement of dihedral angles between monomer units. Thus, implications for the electron transport capability

  8. Electron localization of anions probed by nitrile vibrations

    SciTech Connect

    Mani, Tomoyasu; Grills, David C.; Newton, Marshall D.; Miller, John R.

    2015-08-02

    Localization and delocalization of electrons is a key concept in chemistry, and is one of the important factors determining the efficiency of electron transport through organic conjugated molecules, which have potential to act as “molecular wires”. This, in turn, substantially influences the efficiencies of organic solar cells and other molecular electronic devices. It is also necessary to understand the electronic energy landscape and the dynamics of electrons through molecular chain that govern their transport capabilities in one-dimensional conjugated chains so that we can better define the design principles of conjugated molecules for their applications. We show that nitrile ν(C≡N) vibrations respond to the degree of electron localization in nitrile-substituted organic anions by utilizing time-resolved infrared (TRIR) detection combined with pulse radiolysis. Measurements of a series of aryl nitrile anions allow us to construct a semi-empirical calibration curve between the changes in the ν(C≡N) IR shifts and the changes in the electronic charges from the neutral to the anion states in the nitriles; more electron localization in the nitrile anion results in larger IR shifts. Furthermore, the IR linewidth in anions can report a structural change accompanying changes in the electronic density distribution. Probing the shift of the nitrile ν(C≡N) IR vibrational bands enables us to determine how the electron is localized in anions of nitrile-functionalized oligofluorenes, considered as organic mixed-valence compounds. We estimate the diabatic electron transfer distance, electronic coupling strengths, and energy barriers in these organic mixed-valence compounds. The analysis reveals a dynamic picture, showing that the electron is moving back and forth within the oligomers with a small activation energy of ≤ kBT, likely controlled by the movement of dihedral angles between monomer units. Thus, implications for the electron transport

  9. Metastable and spin-polarized states in electron systems with localized electron-electron interaction

    NASA Astrophysics Data System (ADS)

    Sablikov, Vladimir A.; Shchamkhalova, Bagun S.

    2014-05-01

    We study the formation of spontaneous spin polarization in inhomogeneous electron systems with pair interaction localized in a small region that is not separated by a barrier from surrounding gas of non-interacting electrons. Such a system is interesting as a minimal model of a quantum point contact in which the electron-electron interaction is strong in a small constriction coupled to electron reservoirs without barriers. Based on the analysis of the grand potential within the self-consistent field approximation, we find that the formation of the polarized state strongly differs from the Bloch or Stoner transition in homogeneous interacting systems. The main difference is that a metastable state appears in the critical point in addition to the globally stable state, so that when the interaction parameter exceeds a critical value, two states coexist. One state has spin polarization and the other is unpolarized. Another feature is that the spin polarization increases continuously with the interaction parameter and has a square-root singularity in the critical point. We study the critical conditions and the grand potentials of the polarized and unpolarized states for one-dimensional and two-dimensional models in the case of extremely small size of the interaction region.

  10. 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.

  11. Studying localized corrosion using liquid cell transmission electron microscopy.

    PubMed

    Chee, See Wee; Pratt, Sarah H; Hattar, Khalid; Duquette, David; Ross, Frances M; Hull, Robert

    2015-01-04

    Localized corrosion of Cu and Al thin films exposed to aqueous NaCl solutions was studied using liquid cell transmission electron microscopy (LCTEM). We demonstrate that potentiostatic control can be used to initiate pitting and that local compositional changes, due to focused ion beam implantation of Au(+) ions, can modify the corrosion susceptibility of Al films.

  12. Think Locally: A Prudent Approach to Electronic Resource Management Systems

    ERIC Educational Resources Information Center

    Gustafson-Sundell, Nat

    2011-01-01

    A few articles have drawn some amount of attention specifically to the local causes of the success or failure of electronic resource management system (ERMS) implementations. In fact, it seems clear that local conditions will largely determine whether any given ERMS implementation will succeed or fail. This statement might seem obvious, but the…

  13. Localized electron heating by strong guide-field magnetic reconnection

    NASA Astrophysics Data System (ADS)

    Guo, Xuehan; Inomoto, Michiaki; Sugawara, Takumichi; Yamasaki, Kotaro; Ushiki, Tomohiko; Ono, Yasushi

    2015-10-01

    Localized electron heating of magnetic reconnection was studied under strong guide-field using two merging spherical tokamak plasmas in the University of Tokyo Spherical Tokamak experiment. Our new slide-type two-dimensional Thomson scattering system is documented for the first time the electron heating localized around the X-point. Shape of the high electron temperature area does not agree with that of energy dissipation term Et.jt . If we include a guide-field effect term Bt/(Bp+αBt) for Et.jt , the energy dissipation area becomes localized around the X-point, suggesting that the electrons are accelerated by the reconnection electric field parallel to the magnetic field and thermalized around the X-point.

  14. Weak localization and electron-electron interactions in few layer black phosphorus devices

    NASA Astrophysics Data System (ADS)

    Shi, Yanmeng; Gillgren, Nathaniel; Espiritu, Timothy; Tran, Son; Yang, Jiawei; Watanabe, Kenji; Taniguchi, Takahashi; Lau, Chun Ning

    2016-09-01

    Few layer phosphorene (FLP) devices are extensively studied due to their unique electronic properties and potential applications on nano-electronics. Here we present magnetotransport studies which reveal electron-electron interactions as the dominant scattering mechanism in hexagonal boron nitride-encapsulated FLP devices. From weak localization measurements, we estimate the electron dephasing length to be 30 to 100 nm at low temperatures, which exhibits a strong dependence on carrier density n and a power-law dependence on temperature (˜T -0.4). These results establish that the dominant scattering mechanism in FLP is electron-electron interactions.

  15. Electron localization in rod-shaped triicosahedral gold nanocluster

    DOE PAGES

    Zhou, Meng; Jin, Renxi; Sfeir, Matthew Y.; ...

    2017-05-30

    Atomically precise gold nanocluster based on linear assembly of repeating icosahedrons (clusters of clusters) is a unique type of linear nanostructure, which exhibits strong near-infrared absorption as their free electrons are confined in a one-dimensional quantum box. There is little known about the carrier dynamics in these nanoclusters, which limit their energy-related applications. We reported the observation of exciton localization in triicosahedral Au37 nanoclusters (0.5 nm in diameter and 1.6 nm in length) by measuring femtosecond and nanosecond carrier dynamics. Upon photoexcitation to S1 electronic state, electrons in Au37 undergo ~100-ps localization from the two vertexes of three icosahedrons tomore » one vertex, forming a long-lived S1* state. Such phenomenon is not observed in Au25 (dimer) and Au13 (monomer) consisting of two and one icosahedrons, respectively. We have further observed temperature dependence on the localization process, which proves it is thermally driven. Two excited-state vibration modes with frequencies of 20 and 70 cm-1 observed in the kinetic traces are assigned to the axial and radial breathing modes, respectively. The electron localization is ascribed to the structural distortion of Au37 in the excited state induced by the strong coherent vibrations. The electron localization phenomenon we observed provides unique physical insight into one-dimensional gold nanoclusters and other nanostructures, which will advance their applications in solar-energy storage and conversion.« less

  16. Interplay of hot electrons from localized and propagating plasmons.

    PubMed

    Hoang, Chung V; Hayashi, Koki; Ito, Yasuo; Gorai, Naoki; Allison, Giles; Shi, Xu; Sun, Quan; Cheng, Zhenzhou; Ueno, Kosei; Goda, Keisuke; Misawa, Hiroaki

    2017-10-03

    Plasmon-induced hot-electron generation has recently received considerable interest and has been studied to develop novel applications in optoelectronics, photovoltaics and green chemistry. Such hot electrons are typically generated from either localized plasmons in metal nanoparticles or propagating plasmons in patterned metal nanostructures. Here we simultaneously generate these heterogeneous plasmon-induced hot electrons and exploit their cooperative interplay in a single metal-semiconductor device to demonstrate, as an example, wavelength-controlled polarity-switchable photoconductivity. Specifically, the dual-plasmon device produces a net photocurrent whose polarity is determined by the balance in population and directionality between the hot electrons from localized and propagating plasmons. The current responsivity and polarity-switching wavelength of the device can be varied over the entire visible spectrum by tailoring the hot-electron interplay in various ways. This phenomenon may provide flexibility to manipulate the electrical output from light-matter interaction and offer opportunities for biosensors, long-distance communications, and photoconversion applications.Plasmon-induced hot electrons have potential applications spanning photodetection and photocatalysis. Here, Hoang et al. study the interplay between hot electrons generated by localized and propagating plasmons, and demonstrate wavelength-controlled polarity-switchable photoconductivity.

  17. Non-locality, adiabaticity, thermodynamics and electron energy probability functions

    NASA Astrophysics Data System (ADS)

    Boswell, Roderick; Zhang, Yunchao; Charles, Christine; Takahashi, Kazunori

    2016-09-01

    Thermodynamic properties are revisited for electrons that are governed by nonlocal electron energy probability functions in a plasma of low collisionality. Measurements in a laboratory helicon double layer experiment have shown that the effective electron temperature and density show a polytropic correlation with an index of γe = 1 . 17 +/- 0 . 02 along the divergent magnetic field, implying a nearly isothermal plasma (γe = 1) with heat being brought into the system. However, the evolution of electrons along the divergent magnetic field is essentially an adiabatic process, which should have a γe = 5 / 3 . The reason for this apparent contradiction is that the nearly collisionless plasma is very far from local thermodynamic equilibrium and the electrons behave nonlocally. The corresponding effective electron enthalpy has a conservation relation with the potential energy, which verifies that there is no heat transferred into the system during the electron evolution. The electrons are shown in nonlocal momentum equilibrium under the electric field and the gradient of the effective electron pressure. The convective momentum of ions, which can be assumed as a cold species, is determined by the effective electron pressure and the effective electron enthalpy is shown to be the source for ion acceleration. For these nearly collisionless plasmas, the use of traditional thermodynamic concepts can lead to very erroneous conclusions regarding the thermal conductivity.

  18. Superconductivity at the border of electron localization and itinerancy.

    PubMed

    Yu, Rong; Goswami, Pallab; Si, Qimiao; Nikolic, Predrag; Zhu, Jian-Xin

    2013-01-01

    The superconducting state of iron pnictides and chalcogenides exists at the border of anti-ferromagnetic order. Consequently, these materials could provide clues about the relationship between magnetism and unconventional superconductivity. One explanation, motivated by the so-called bad metal behaviour of these materials proposes that magnetism and superconductivity develop out of quasi-localized magnetic moments that are generated by strong electron-electron correlations. Another suggests that these phenomena are the result of weakly interacting electron states that lie on nested Fermi surfaces. Here we address the issue by comparing the newly discovered alkaline iron selenide superconductors, which exhibit no Fermi-surface nesting, to their iron pnictide counterparts. We show that the strong-coupling approach leads to similar pairing amplitudes in these materials, despite their different Fermi surfaces. We also find that the pairing amplitudes are largest at the boundary between electronic localization and itinerancy, suggesting that new superconductors might be found in materials with similar characteristics.

  19. Local representation of the electronic dielectric response function

    DOE PAGES

    Lu, Deyu; Ge, Xiaochuan

    2015-12-11

    We present a local representation of the electronic dielectric response function, based on a spatial partition of the dielectric response into contributions from each occupied Wannier orbital using a generalized density functional perturbation theory. This procedure is fully ab initio, and therefore allows us to rigorously define local metrics, such as “bond polarizability,” on Wannier centers. We show that the locality of the bare response function is determined by the locality of three quantities: Wannier functions of the occupied manifold, the density matrix, and the Hamiltonian matrix. Furthermore, in systems with a gap, the bare dielectric response is exponentially localized,more » which supports the physical picture of the dielectric response function as a collection of interacting local responses that can be captured by a tight-binding model.« less

  20. Local representation of the electronic dielectric response function

    SciTech Connect

    Lu, Deyu; Ge, Xiaochuan

    2015-12-11

    We present a local representation of the electronic dielectric response function, based on a spatial partition of the dielectric response into contributions from each occupied Wannier orbital using a generalized density functional perturbation theory. This procedure is fully ab initio, and therefore allows us to rigorously define local metrics, such as “bond polarizability,” on Wannier centers. We show that the locality of the bare response function is determined by the locality of three quantities: Wannier functions of the occupied manifold, the density matrix, and the Hamiltonian matrix. Furthermore, in systems with a gap, the bare dielectric response is exponentially localized, which supports the physical picture of the dielectric response function as a collection of interacting local responses that can be captured by a tight-binding model.

  1. Program For Local-Area-Network Electronic Mail

    NASA Technical Reports Server (NTRS)

    Weiner, Michael J.

    1989-01-01

    MailRoom is computer program for local-area network (LAN) electronic mail. Enables users of LAN to exchange electronically notes, letters, reminders, or any sort of communication via their computers. Links all users of LAN into communication circle in which messages created, sent, copied, printed, downloaded, uploaded, and deleted through series of menu-driven screens. Includes feature that enables users to determine whether messages sent have been read by receivers. Written in Microsoft QuickBasic.

  2. Program For Local-Area-Network Electronic Mail

    NASA Technical Reports Server (NTRS)

    Weiner, Michael J.

    1989-01-01

    MailRoom is computer program for local-area network (LAN) electronic mail. Enables users of LAN to exchange electronically notes, letters, reminders, or any sort of communication via their computers. Links all users of LAN into communication circle in which messages created, sent, copied, printed, downloaded, uploaded, and deleted through series of menu-driven screens. Includes feature that enables users to determine whether messages sent have been read by receivers. Written in Microsoft QuickBasic.

  3. Studying localized corrosion using liquid cell transmission electron microscopy

    DOE PAGES

    Chee, See Wee; Pratt, Sarah H.; Hattar, Khalid; ...

    2014-11-07

    Using liquid cell transmission electron microscopy (LCTEM), localized corrosion of Cu and Al thin films immersed in aqueous NaCl solutions was studied. We demonstrate that potentiostatic control can be used to initiate pitting and that local compositional changes, due to focused ion beam implantation of Au+ ions, can modify the corrosion susceptibility of Al films. Likewise, a discussion on strategies to control the onset of pitting is also presented.

  4. Studying localized corrosion using liquid cell transmission electron microscopy

    SciTech Connect

    Chee, See Wee; Pratt, Sarah H.; Hattar, Khalid; Duquette, David; Ross, Frances M.; Hull, Robert

    2014-11-07

    Using liquid cell transmission electron microscopy (LCTEM), localized corrosion of Cu and Al thin films immersed in aqueous NaCl solutions was studied. We demonstrate that potentiostatic control can be used to initiate pitting and that local compositional changes, due to focused ion beam implantation of Au+ ions, can modify the corrosion susceptibility of Al films. Likewise, a discussion on strategies to control the onset of pitting is also presented.

  5. Electronic-structure calculation for metals by local optimization

    NASA Astrophysics Data System (ADS)

    Woodward, C.; Min, B. I.; Benedek, R.; Garner, J.

    1989-03-01

    Recent work by Car and Parrinello has generated considerable interest in the calculation of electronic structure by nonlinear optimization. The technique introduced by these authors, dynamical simulated annealing, is designed for problems that involve energy barriers. When local optimization suffices to determine the energy minimum, more direct methods are available. In this paper we apply the algorithm suggested by Williams and Soler to calculate the electronic structure of metals, using a plane-wave expansion for the electronic orbitals and an electron-ion pseudopotential of the Kleinman-Bylander form. Radial pseudopotentials were taken from the compilation of Bachelet, Hamann, and Schlüter. Calculations are performed to optimize the electronic structure (i) with fixed atomic configuration, or (ii) with the atomic volume being optimized simultaneously. It is found that the dual optimization (ii) converges in essentially the same number of steps as the static lattice optimization (i). Numerical results are presented for Li, K, Al, and simple-cubic P.

  6. Localized Electron Heating by Strong Guide-Field Magnetic Reconnection

    NASA Astrophysics Data System (ADS)

    Guo, Xuehan; Sugawara, Takumichi; Inomoto, Michiaki; Yamasaki, Kotaro; Ono, Yasushi; UTST Team

    2015-11-01

    Localized electron heating of magnetic reconnection was studied under strong guide-field (typically Bt 15Bp) using two merging spherical tokamak plasmas in Univ. Tokyo Spherical Tokamak (UTST) experiment. Our new slide-type two-dimensional Thomson scattering system documented for the first time the electron heating localized around the X-point. The region of high electron temperature, which is perpendicular to the magnetic field, was found to have a round shape with radius of 2 [cm]. Also, it was localized around the X-point and does not agree with that of energy dissipation term Et .jt . When we include a guide-field effect term Bt / (Bp + αBt) for Et .jt where α =√{ (vin2 +vout2) /v∥2 } , the energy dissipation area becomes localized around the X-point, suggesting that the electrons are accelerated by the reconnection electric field parallel to the magnetic field and thermalized around the X-point. This work was supported by JSPS A3 Foresight Program ``Innovative Tokamak Plasma Startup and Current Drive in Spherical Torus,'' a Grant-in-Aid from the Japan Society for the Promotion of Science (JSPS) Fellows 15J03758.

  7. Localized Electron States Near a Metal-SemiconductorNanocontact

    SciTech Connect

    Demchenko, Denis O.; Wang, Lin-Wang

    2007-04-25

    The electronic structure of nanowires in contact withmetallic electrodes of experimentally relevant sizes is calculated byincorporating the electrostatic polarization potential into the atomisticsingle particle Schrodinger equation. We show that the presence of anelectrode produces localized electron/hole states near the electrode, aphenomenon only exhibited in nanostructures and overlooked in the past.This phenomenon will have profound implications on electron transport insuch nanosystems. We calculate several electrode/nanowire geometries,with varying contact depths and nanowire radii. We demonstrate the changein the band gap of up to 0.5 eV in 3 nm diameter CdSe nanowires andcalculate the magnitude of the applied electric field necessary toovercome the localization.

  8. 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.

  9. Electronic spectrum and localization of electronic states in aperiodic quantum dot chains

    NASA Astrophysics Data System (ADS)

    Korotaev, P. Yu.; Vekilov, Yu. Kh.; Kaputkina, N. E.

    2014-02-01

    The electronic energy spectra of aperiodic Thue-Morse, Rudin-Shapiro, and double-periodic quantum dot chains are investigated in the tight-binding approximation. The dependence of the spectrum on all parameters of a "mixed" aperiodic chain model is studied: the electronic energy at quantum dots and the hopping integrals. The electronic degree of localization in the chains under consideration is determined by analyzing the inverse participation ratio. Its spectral distribution and the dependence of the band-averaged degree of localization on these model parameters have been calculated. It is shown that a transition of the system's sites to a resonant state in which the degree of electron localization decreases, while an overlap between the subbands occurs in the spectrum is possible when the parameters are varied.

  10. DNA Electronic Fingerprints by Local Spectroscopy on Graphene

    NASA Astrophysics Data System (ADS)

    Balatsky, Alexander

    2013-03-01

    Working and scalable alternatives to the conventional chemical methods of DNA sequencing that are based on electronic/ionic signatures would revolutionize the field of sequencing. The approach of a single molecule imaging and spectroscopy with unprecedented resolution, achieved by Scanning Tunneling Spectroscopy (STS) and nanopore electronics could enable this revolution. We use the data from our group and others in applying this local scanning tunneling microscopy and illustrate possibilities of electronic sequencing of freeze dried deposits on graphene. We will present two types of calculated fingerprints: first in Local Density of States (LDOS) of DNA nucleotide bases (A,C,G,T) deposited on graphene. Significant base-dependent features in the LDOS in an energy range within few eV of the Fermi level were found in our calculations. These features can serve as electronic fingerprints for the identification of individual bases in STS. In the second approach we present calculated base dependent electronic transverse conductance as DNA translocates through the graphene nanopore. Thus we argue that the fingerprints of DNA-graphene hybrid structures may provide an alternative route to DNA sequencing using STS. Work supported by US DOE, NORDITA.

  11. Localized basis sets for unbound electrons in nanoelectronics.

    PubMed

    Soriano, D; Jacob, D; Palacios, J J

    2008-02-21

    It is shown how unbound electron wave functions can be expanded in a suitably chosen localized basis sets for any desired range of energies. In particular, we focus on the use of Gaussian basis sets, commonly used in first-principles codes. The possible usefulness of these basis sets in a first-principles description of field emission or scanning tunneling microscopy at large bias is illustrated by studying a simpler related phenomenon: The lifetime of an electron in a H atom subjected to a strong electric field.

  12. Correlated cryogenic photoactivated localization microscopy and cryo-electron tomography.

    PubMed

    Chang, Yi-Wei; Chen, Songye; Tocheva, Elitza I; Treuner-Lange, Anke; Löbach, Stephanie; Søgaard-Andersen, Lotte; Jensen, Grant J

    2014-07-01

    Cryo-electron tomography (CET) produces three-dimensional images of cells in a near-native state at macromolecular resolution, but identifying structures of interest can be challenging. Here we describe a correlated cryo-PALM (photoactivated localization microscopy)-CET method for localizing objects within cryo-tomograms to beyond the diffraction limit of the light microscope. Using cryo-PALM-CET, we identified multiple and new conformations of the dynamic type VI secretion system in the crowded interior of Myxococcus xanthus.

  13. Correlated cryogenic photoactivated localization microscopy and electron cryotomography

    PubMed Central

    Chang, Yi-Wei; Chen, Songye; Tocheva, Elitza I.; Treuner-Lange, Anke; Löbach, Stephanie; Søgaard-Andersen, Lotte; Jensen, Grant J.

    2014-01-01

    Electron cryotomography (ECT) produces three-dimensional images of cells in a near-native state at macromolecular resolution, but identifying structures of interest can be challenging. Here we describe a correlated "cryo-PALM"-ECT method for localizing objects within cryotomograms to beyond the diffraction limit of the light microscope, and use it to identify multiple and new conformations of the dynamic type VI secretion system in the crowded interior of Myxococcus xanthus. PMID:24813625

  14. Multifractal electronic wave functions in the Anderson model of localization

    SciTech Connect

    Schreiber, M.; Grussbach, H. )

    1992-06-20

    In this paper, investigations of the multifractal properties of electronic wave functions in disordered samples are reviewed. The characteristic mass exponents of the multifractal measure, the generalized dimensions and the singularity spectra are discussed for typical cases. New results for large 3D systems are reported, suggesting that the multifractal properties at the mobility edge which separates localized and extended states are independent of the microscopic details of the model.

  15. Change of Electronic Structures by Dopant-Induced Local Strain

    NASA Astrophysics Data System (ADS)

    Hyeong Kim, Gyu; Jeong, Sukmin

    2015-06-01

    Ag-induced Si(111)- surfaces (-Ag) exhibit unusual electronic structures that cannot be explained by the conventional rigid band model and charge transfer model. The (-Ag surfaces feature a free-electron-like parabolic band, the S1 band, that selectively shifts downward upon the adsorption of noble metal or alkali metal adatoms. Furthermore, the downward shift of S1 is independent of the type of dopants, Au, Ag, and Na. According to charge transfer analysis, Au adatoms accumulate electrons from the substrate and become negatively charged, whereas Na adatoms become positively charged, which indicates that S1 should shift in the opposite direction for both the adatoms. Investigation of calculated structures, calculation of model structures, and tight-binding analysis disclose that the changes in the electronic structure are closely related to the average Ag-Ag distance in the substrate and have their origin in the local strain induced by dopants (adatoms). This explanation implies that the electronic structure is irrespective of the dopant characters itself and paves a new way for understanding the electronic structures associated with the presence of dopants.

  16. Nano-fEM: protein localization using photo-activated localization microscopy and electron microscopy.

    PubMed

    Watanabe, Shigeki; Richards, Jackson; Hollopeter, Gunther; Hobson, Robert J; Davis, Wayne M; Jorgensen, Erik M

    2012-12-03

    Mapping the distribution of proteins is essential for understanding the function of proteins in a cell. Fluorescence microscopy is extensively used for protein localization, but subcellular context is often absent in fluorescence images. Immuno-electron microscopy, on the other hand, can localize proteins, but the technique is limited by a lack of compatible antibodies, poor preservation of morphology and because most antigens are not exposed to the specimen surface. Correlative approaches can acquire the fluorescence image from a whole cell first, either from immuno-fluorescence or genetically tagged proteins. The sample is then fixed and embedded for electron microscopy, and the images are correlated (1-3). However, the low-resolution fluorescence image and the lack of fiducial markers preclude the precise localization of proteins. Alternatively, fluorescence imaging can be done after preserving the specimen in plastic. In this approach, the block is sectioned, and fluorescence images and electron micrographs of the same section are correlated (4-7). However, the diffraction limit of light in the correlated image obscures the locations of individual molecules, and the fluorescence often extends beyond the boundary of the cell. Nano-resolution fluorescence electron microscopy (nano-fEM) is designed to localize proteins at nano-scale by imaging the same sections using photo-activated localization microscopy (PALM) and electron microscopy. PALM overcomes the diffraction limit by imaging individual fluorescent proteins and subsequently mapping the centroid of each fluorescent spot (8-10). We outline the nano-fEM technique in five steps. First, the sample is fixed and embedded using conditions that preserve the fluorescence of tagged proteins. Second, the resin blocks are sectioned into ultrathin segments (70-80 nm) that are mounted on a cover glass. Third, fluorescence is imaged in these sections using the Zeiss PALM microscope. Fourth, electron dense structures are

  17. The local electronic structure of alpha-Li3N.

    PubMed

    Fister, T T; Seidler, G T; Shirley, E L; Vila, F D; Rehr, J J; Nagle, K P; Linehan, J C; Cross, J O

    2008-07-28

    New theoretical and experimental investigations of the occupied and unoccupied local electronic densities of states (DOS) are reported for alpha-Li(3)N. Band-structure and density-functional theory calculations confirm the absence of covalent bonding character. However, real-space full-multiple-scattering (RSFMS) calculations of the occupied local DOS find less extreme nominal valences than have previously been proposed. Nonresonant inelastic x-ray scattering, RSFMS calculations, and calculations based on the Bethe-Salpeter equation are used to characterize the unoccupied electronic final states local to both the Li and N sites. There is a good agreement between experiment and theory. Throughout the Li 1s near-edge region, both experiment and theory find strong similarities in the s-and p-type components of the unoccupied local final DOS projected onto an orbital angular momentum basis (l-DOS). An unexpected, significant correspondence exists between the near-edge spectra for the Li 1s and N 1s initial states. We argue that both spectra are sampling essentially the same final DOS due to the combination of long core-hole lifetimes, long photoelectron lifetimes, and the fact that orbital angular momentum is the same for all relevant initial states. Such considerations may be generally applicable for low atomic number compounds.

  18. Dynamic local field factor of an uniform electron liquid

    NASA Astrophysics Data System (ADS)

    Mukhopadhyay, G.

    1988-08-01

    We present an expression for the dynamic local field factor of a uniform interacting electron liquid, as G(q, ω) = G1(q) + G2(q, ω), where G1 is the static local field factor of the STLS-theory, and G2 has a structure similar to that obtainable from the mode-coupling theory of the Memory-function approach. The q → 0 limit of the imaginary part of G, which is of interest in the time-dependent Local-density-functional theory, has the correct ω-3/2 dependence, and yields the long-wavelength plasmon damping coefficient in good agreement with diagramatic calculations as well as the mode-coupling approach; detailed numerical results are also presented.

  19. Transport in nanoscale systems: hydrodynamics, turbulence, and local electron heating

    NASA Astrophysics Data System (ADS)

    di Ventra, Massimiliano

    2007-03-01

    Transport in nanoscale systems is usually described as an open-boundary scattering problem. This picture, however, says nothing about the dynamical onset of steady states, their microscopic nature, or their dependence on initial conditions [1]. In order to address these issues, I will first describe the dynamical many-particle state via an effective quantum hydrodynamic theory [2]. This approach allows us to predict a series of novel phenomena like turbulence of the electron liquid [2], local electron heating in nanostructures [3], and the effect of electron viscosity on resistance [4]. I will provide both analytical results and numerical examples of first-principles electron dynamics in nanostructures using the above approach. I will also discuss possible experimental tests of our predictions. Work supported in part by NSF and DOE. [1] N. Bushong, N. Sai and M. Di Ventra, ``Approach to steady-state transport in nanoscale systems'' Nano Letters, 5 2569 (2005); M. Di Ventra and T.N. Todorov, ``Transport in nanoscale systems: the microcanonical versus grand-canonical picture,'' J. Phys. Cond. Matt. 16, 8025 (2004). [2] R. D'Agosta and M. Di Ventra, ``Hydrodynamic approach to transport and turbulence in nanoscale conductors,'' cond-mat/05123326; J. Phys. Cond. Matt., in press. [3] R. D'Agosta, N. Sai and M. Di Ventra, ``Local electron heating in nanoscale conductors,'' cond-mat/0605312; Nano Letters, in press. [4] N. Sai, M. Zwolak, G. Vignale and M. Di Ventra, ``Dynamical corrections to the DFT-LDA electron conductance in nanoscale systems,'' Phys. Rev. Lett. 94, 186810 (2005).

  20. 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

  1. 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

  2. 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

  3. A Mapping of the Electron Localization Function for Earth Materials

    SciTech Connect

    Gibbs, Gerald V.; Cox, David F.; Ross, Nancy; Crawford, T Daniel; Burt, Jason; Rosso, Kevin M.

    2005-06-01

    The electron localization function, ELF, generated for a number of geometry-optimized earth materials, provides a graphical representation of the spatial localization of the probability electron density distribution as embodied in domains ascribed to localized bond and lone pair electrons. The lone pair domains, displayed by the silica polymorphs quartz, coesite and cristobalite, are typically banana-shaped and oriented perpendicular to the plane of the SiOSi angle at ~0.60 Å from the O atom on the reflex side of the angle. With decreasing angle, the domains increase in magnitude, indicating an increase in the nucleophilic character of the O atom, rendering it more susceptible to potential electrophilic attack. The Laplacian isosurface maps of the experimental and theoretical electron density distribution for coesite substantiates the increase in the size of the domain with decreasing angle. Bond pair domains are displayed along each of the SiO bond vectors as discrete concave hemispherically-shaped domains at ~0.70 Å from the O atom. For more closed-shell ionic bonded interactions, the bond and lone pair domains are often coalesced, resulting in concave hemispherical toroidal-shaped domains with local maxima centered along the bond vectors. As the shared covalent character of the bonded interactions increases, the bond and lone pair domains are better developed as discrete domains. ELF isosurface maps generated for the earth materials tremolite, diopside, talc and dickite display banana-shaped lone pair domains associated with the bridging O atoms of SiOSi angles and concave hemispherical toroidal bond pair domains associated with the nonbridging ones. The lone pair domains in dickite and talc provide a basis for understanding the bonded interactions between the adjacent neutral layers. Maps were also generated for beryl, cordierite, quartz, low albite, forsterite, wadeite, åkermanite, pectolite, periclase, hurlbutite, thortveitite and vanthoffite. Strategies

  4. A mapping of the electron localization function for earth materials

    NASA Astrophysics Data System (ADS)

    Gibbs, G. V.; Cox, D. F.; Ross, N. L.; Crawford, T. D.; Burt, J. B.; Rosso, K. M.

    2005-06-01

    The electron localization function, ELF, generated for a number of geometry-optimized earth materials, provides a graphical representation of the spatial localization of the probability electron density distribution as embodied in domains ascribed to localized bond and lone pair electrons. The lone pair domains, displayed by the silica polymorphs quartz, coesite and cristobalite, are typically banana-shaped and oriented perpendicular to the plane of the SiOSi angle at ~0.60 Å from the O atom on the reflex side of the angle. With decreasing angle, the domains increase in magnitude, indicating an increase in the nucleophilic character of the O atom, rendering it more susceptible to potential electrophilic attack. The Laplacian isosurface maps of the experimental and theoretical electron density distribution for coesite substantiates the increase in the size of the domain with decreasing angle. Bond pair domains are displayed along each of the SiO bond vectors as discrete concave hemispherically-shaped domains at ~0.70 Å from the O atom. For more closed-shell ionic bonded interactions, the bond and lone pair domains are often coalesced, resulting in concave hemispherical toroidal-shaped domains with local maxima centered along the bond vectors. As the shared covalent character of the bonded interactions increases, the bond and lone pair domains are better developed as discrete domains. ELF isosurface maps generated for the earth materials tremolite, diopside, talc and dickite display banana-shaped lone pair domains associated with the bridging O atoms of SiOSi angles and concave hemispherical toroidal bond pair domains associated with the nonbridging ones. The lone pair domains in dickite and talc provide a basis for understanding the bonded interactions between the adjacent neutral layers. Maps were also generated for beryl, cordierite, quartz, low albite, forsterite, wadeite, åkermanite, pectolite, periclase, hurlbutite, thortveitite and vanthoffite. Strategies

  5. Electronic transitions in polymethine dyes involving local and delocalized levels

    NASA Astrophysics Data System (ADS)

    Viniychuk, O. O.; Levchenko, S. M.; Przhonska, O. V.; Kachkovsky, O. D.; Bricks, Yu. L.; Kudinova, M. O.; Kovtun, Yu. P.; Poronik, Ye. M.; Shandura, M. P.; Tolmachev, O. I.

    2014-02-01

    Several series of polymethine dyes containing terminal groups, which can generate the local levels close to the HOMO/LUMO energy gap, have been investigated by spectroscopic and quantum-chemical methods. The analysis of the obtained data has shown that the participation of the local levels in the electronic transitions leads to the appearance of the specific quasi-local transitions which differ from the transitions between delocalized molecular orbitals by their sensitivity to the length of the π-conjugated chromophore and to the chemical constitution of the terminal groups. These quasi-local transitions can be experimentally detected by measuring of the ordinary absorption spectra or by the excitation anisotropy spectra, in case when their low-intensive bands are covered by the intensive absorption band. In the unsymmetrical dyes, containing different terminal groups, the delocalized and quasi-local transitions can be mixed producing complicated absorption spectra with two comparatively intensive bands, and their shapes can be gradually transformed upon the lengthening of the π-conjugated chromophore.

  6. Motor vehicle collisions caused by the 'super-strength' synthetic cannabinoids, MAM-2201, 5F-PB-22, 5F-AB-PINACA, 5F-AMB and 5F-ADB in Japan experienced from 2012 to 2014.

    PubMed

    Kaneko, Shuji

    2017-01-01

    From 2012 to 2014 in Japan, 214 cases of motor vehicle collisions were attributed to the use of illegal drugs. In 93 out of 96 investigated cases, the causative agents were a variety of synthetic cannabinoids (SCs). These SCs can be classified into three groups according to the lineage of the chemical structures: (1) naphthoyl indoles, such as MAM-2201, (2) quinolinyl ester indoles, such as 5F-PB-22, and (3) indazole carboxamides, such as 5F-AB-PINACA, 5F-AMB, and 5F-ADB. These SCs became available sequentially with increasing cannabinoid CB1 agonist potencies and reached a nationwide outbreak in the summer of 2014. They caused acute intoxication with impaired consciousness, anterograde amnesia (impaired memory), catalepsy with muscle rigidity, tachycardia, and vomiting or drooling soon after smoking. Drivers who had abused one of these SCs might unexpectedly experience the acute intoxication that caused uncontrolled driving. These SCs were generally difficult to detect from body fluid samples. It is thought that the highly lipophilic SCs disappear from the blood via rapid degradation by liver enzymes and selective accumulation into adipose tissues. Thus, much effort should be directed to the development of fast and sensitive chemical detection of the drug usage.

  7. Plasmonic hot electron transport drives nano-localized chemistry

    PubMed Central

    Cortés, Emiliano; Xie, Wei; Cambiasso, Javier; Jermyn, Adam S.; Sundararaman, Ravishankar; Narang, Prineha; Schlücker, Sebastian; Maier, Stefan A.

    2017-01-01

    Nanoscale localization of electromagnetic fields near metallic nanostructures underpins the fundamentals and applications of plasmonics. The unavoidable energy loss from plasmon decay, initially seen as a detriment, has now expanded the scope of plasmonic applications to exploit the generated hot carriers. However, quantitative understanding of the spatial localization of these hot carriers, akin to electromagnetic near-field maps, has been elusive. Here we spatially map hot-electron-driven reduction chemistry with 15 nm resolution as a function of time and electromagnetic field polarization for different plasmonic nanostructures. We combine experiments employing a six-electron photo-recycling process that modify the terminal group of a self-assembled monolayer on plasmonic silver nanoantennas, with theoretical predictions from first-principles calculations of non-equilibrium hot-carrier transport in these systems. The resulting localization of reactive regions, determined by hot-carrier transport from high-field regions, paves the way for improving efficiency in hot-carrier extraction science and nanoscale regio-selective surface chemistry. PMID:28348402

  8. Plasmonic hot electron transport drives nano-localized chemistry

    NASA Astrophysics Data System (ADS)

    Cortés, Emiliano; Xie, Wei; Cambiasso, Javier; Jermyn, Adam S.; Sundararaman, Ravishankar; Narang, Prineha; Schlücker, Sebastian; Maier, Stefan A.

    2017-03-01

    Nanoscale localization of electromagnetic fields near metallic nanostructures underpins the fundamentals and applications of plasmonics. The unavoidable energy loss from plasmon decay, initially seen as a detriment, has now expanded the scope of plasmonic applications to exploit the generated hot carriers. However, quantitative understanding of the spatial localization of these hot carriers, akin to electromagnetic near-field maps, has been elusive. Here we spatially map hot-electron-driven reduction chemistry with 15 nm resolution as a function of time and electromagnetic field polarization for different plasmonic nanostructures. We combine experiments employing a six-electron photo-recycling process that modify the terminal group of a self-assembled monolayer on plasmonic silver nanoantennas, with theoretical predictions from first-principles calculations of non-equilibrium hot-carrier transport in these systems. The resulting localization of reactive regions, determined by hot-carrier transport from high-field regions, paves the way for improving efficiency in hot-carrier extraction science and nanoscale regio-selective surface chemistry.

  9. Plasmonic hot electron transport drives nano-localized chemistry.

    PubMed

    Cortés, Emiliano; Xie, Wei; Cambiasso, Javier; Jermyn, Adam S; Sundararaman, Ravishankar; Narang, Prineha; Schlücker, Sebastian; Maier, Stefan A

    2017-03-28

    Nanoscale localization of electromagnetic fields near metallic nanostructures underpins the fundamentals and applications of plasmonics. The unavoidable energy loss from plasmon decay, initially seen as a detriment, has now expanded the scope of plasmonic applications to exploit the generated hot carriers. However, quantitative understanding of the spatial localization of these hot carriers, akin to electromagnetic near-field maps, has been elusive. Here we spatially map hot-electron-driven reduction chemistry with 15 nm resolution as a function of time and electromagnetic field polarization for different plasmonic nanostructures. We combine experiments employing a six-electron photo-recycling process that modify the terminal group of a self-assembled monolayer on plasmonic silver nanoantennas, with theoretical predictions from first-principles calculations of non-equilibrium hot-carrier transport in these systems. The resulting localization of reactive regions, determined by hot-carrier transport from high-field regions, paves the way for improving efficiency in hot-carrier extraction science and nanoscale regio-selective surface chemistry.

  10. Symmetry breaking and hole localization in multiple core electron ionization.

    PubMed

    Carravetta, V; Ågren, H

    2013-08-08

    Motivated by recent opportunitites to study hollow molecules with multiple core holes offered by X-ray free electron lasers, we revisit the core-hole localization and symmetry breaking problem, now studying ionization of more than one core electron. It is shown, using a N2 molecule with one, two, three, and four core holes, for example, that in a multiconfigurational determination of the core ionization potentials employing a molecular point group with broken inversion symmetry, one particular configuration is sufficient to account for the symmetry breaking relaxation energy in an independent particle approximation in the case of one or three holes, whereas the choice of point group symmetry is unessential for two and four holes. The relaxation energy follows a quadratic dependence on the number of holes in both representations.

  11. Site Sensitivity and local electronic symmetries in carboranes

    NASA Astrophysics Data System (ADS)

    Fister, T. T.; Seidler, G. T.; Vila, F. D.; Cross, J. O.; Linehan, J. C.

    2007-03-01

    Icosohedral carboranes containing ten boron and two carbon atoms are seeing renewed interest because of their potential use in new cancer and AIDS therapies. These molecules have flexible geometries which allow bonding to three types of carbon sites (e.g. ortho-, para-, and meta- configurations). Using a new multielement spectrometer, we present the first x-ray Raman scattering (XRS) study on each isomer with excited state spectra taken from the both the carbon and boron 1s states. The change in the electronic structure between the isomers is most pronounced in the carbon spectrum, where the position in the edge confirms prior density functional theory calculations. With the boron spectra, we used the unique momentum transfer dependence of XRS to extract the symmetry components of the density of unoccupied states, i.e. the l-DOS. These results give an improved picture of the local electronic properties of the carboranes.

  12. Electronic structure and localized states in a model amorphous silicon

    NASA Astrophysics Data System (ADS)

    Allan, G.; Delerue, C.; Lannoo, M.

    1998-03-01

    The electronic structure of a model amorphous silicon (a-Si) represented by a supercell of 4096 silicon atoms [B.R. Djordjevic, M.F. Thorpe, and F. Wooten, Phys. Rev. B 52, 5685 (1995)] and of a model hydrogenated amorphous silicon (a-Si:H) that we have built from the a-Si model are calculated in the tight-binding approximation. The band edges near the gap are characterized by exponential tails of localized states induced mainly by the variations in bond angles. The spatial localization of the states is compared between a-Si and a-Si:H. Comparison with experiments suggests that the structural models give good descriptions of the amorphous materials.

  13. The local electron affinity for non-minimal basis sets.

    PubMed

    Clark, Timothy

    2010-07-01

    A technique known as intensity filtering is introduced to select valence-like virtual orbitals for calculating the local electron affinity, EA(L). Intensity filtering allows EA(L) to be calculated using semiempirical molecular orbital techniques that include polarisation functions. Without intensity filtering, such techniques yield spurious EA(L) values that are dominated by the polarisation functions. As intensity filtering should also be applicable for ab initio or density functional theory calculations with large basis sets, it also makes EA(L) available for these techniques.

  14. Pair 2-electron reduced density matrix theory using localized orbitals

    NASA Astrophysics Data System (ADS)

    Head-Marsden, Kade; Mazziotti, David A.

    2017-08-01

    Full configuration interaction (FCI) restricted to a pairing space yields size-extensive correlation energies but its cost scales exponentially with molecular size. Restricting the variational two-electron reduced-density-matrix (2-RDM) method to represent the same pairing space yields an accurate lower bound to the pair FCI energy at a mean-field-like computational scaling of O (r3) where r is the number of orbitals. In this paper, we show that localized molecular orbitals can be employed to generate an efficient, approximately size-extensive pair 2-RDM method. The use of localized orbitals eliminates the substantial cost of optimizing iteratively the orbitals defining the pairing space without compromising accuracy. In contrast to the localized orbitals, the use of canonical Hartree-Fock molecular orbitals is shown to be both inaccurate and non-size-extensive. The pair 2-RDM has the flexibility to describe the spectra of one-electron RDM occupation numbers from all quantum states that are invariant to time-reversal symmetry. Applications are made to hydrogen chains and their dissociation, n-acene from naphthalene through octacene, and cadmium telluride 2-, 3-, and 4-unit polymers. For the hydrogen chains, the pair 2-RDM method recovers the majority of the energy obtained from similar calculations that iteratively optimize the orbitals. The localized-orbital pair 2-RDM method with its mean-field-like computational scaling and its ability to describe multi-reference correlation has important applications to a range of strongly correlated phenomena in chemistry and physics.

  15. Local atomic order, electronic structure and electron transport properties of Cu-Zr metallic glasses

    SciTech Connect

    Antonowicz, J. Pietnoczka, A.; Pękała, K.; Latuch, J.; Evangelakis, G. A.

    2014-05-28

    We studied atomic and electronic structures of binary Cu-Zr metallic glasses (MGs) using combined experimental and computational methods including X-ray absorption fine structure spectroscopy, electrical resistivity, thermoelectric power (TEP) measurements, molecular dynamics (MD) simulations, and ab-initio calculations. The results of MD simulations and extended X-ray absorption fine structure analysis indicate that atomic order of Cu-Zr MGs and can be described in terms of interpenetrating icosahedral-like clusters involving five-fold symmetry. MD configurations were used as an input for calculations of theoretical electronic density of states (DOS) functions which exhibits good agreement with the experimental X-ray absorption near-edge spectra. We found no indication of minimum of DOS at Fermi energy predicted by Mott's nearly free electron (NFE) model for glass-forming alloys. The theoretical DOS was subsequently used to test Mott's model describing the temperature variation of electrical resistivity and thermoelectric power of transition metal-based MGs. We demonstrate that the measured temperature variations of electrical resistivity and TEP remain in a contradiction with this model. On the other hand, the experimental temperature dependence of electrical resistivity can be explained by incipient localization of conduction electrons. It is shown that weak localization model works up to relatively high temperatures when localization is destroyed by phonons. Our results indicate that electron transport properties of Cu-Zr MGs are dominated by localization effects rather than by electronic structure. We suggest that NFE model fails to explain a relatively high glass-forming ability of binary Cu-Zr alloys.

  16. Local atomic order, electronic structure and electron transport properties of Cu-Zr metallic glasses

    NASA Astrophysics Data System (ADS)

    Antonowicz, J.; Pietnoczka, A.; Pekała, K.; Latuch, J.; Evangelakis, G. A.

    2014-05-01

    We studied atomic and electronic structures of binary Cu-Zr metallic glasses (MGs) using combined experimental and computational methods including X-ray absorption fine structure spectroscopy, electrical resistivity, thermoelectric power (TEP) measurements, molecular dynamics (MD) simulations, and ab-initio calculations. The results of MD simulations and extended X-ray absorption fine structure analysis indicate that atomic order of Cu-Zr MGs and can be described in terms of interpenetrating icosahedral-like clusters involving five-fold symmetry. MD configurations were used as an input for calculations of theoretical electronic density of states (DOS) functions which exhibits good agreement with the experimental X-ray absorption near-edge spectra. We found no indication of minimum of DOS at Fermi energy predicted by Mott's nearly free electron (NFE) model for glass-forming alloys. The theoretical DOS was subsequently used to test Mott's model describing the temperature variation of electrical resistivity and thermoelectric power of transition metal-based MGs. We demonstrate that the measured temperature variations of electrical resistivity and TEP remain in a contradiction with this model. On the other hand, the experimental temperature dependence of electrical resistivity can be explained by incipient localization of conduction electrons. It is shown that weak localization model works up to relatively high temperatures when localization is destroyed by phonons. Our results indicate that electron transport properties of Cu-Zr MGs are dominated by localization effects rather than by electronic structure. We suggest that NFE model fails to explain a relatively high glass-forming ability of binary Cu-Zr alloys.

  17. Creating and Probing Graphene Electron Optics with Local Scanning Probes

    NASA Astrophysics Data System (ADS)

    Stroscio, Joseph

    Ballistic propagation and the light-like dispersion of graphene charge carriers make graphene an attractive platform for optics-inspired graphene electronics where gate tunable potentials can control electron refraction and transmission. In analogy to optical wave propagation in lenses, mirrors and metamaterials, gate potentials can be used to create a negative index of refraction for Veselago lensing and Fabry-Pérot interferometers. In circular geometries, gate potentials can induce whispering gallery modes (WGM), similar to optical and acoustic whispering galleries albeit on a much smaller length scale. Klein scattering of Dirac carriers plays a central role in determining the coherent propagation of electron waves in these resonators. In this talk, I examine the probing of electron resonators in graphene confined by linear and circular gate potentials with the scanning tunneling microscope (STM). The tip in the STM tunnel junction serves both as a tunable local gate potential, and as a probe of the graphene states through tunneling spectroscopy. A combination of a back gate potential, Vg, and tip potential, Vb, creates and controls a circular pn junction that confines the WGM graphene states. The resonances are observed in two separate channels in the tunneling spectroscopy experiment: first, by directly tunneling into the state at the bias energy eVb, and, second, by tunneling from the resonance at the Fermi level as the state is gated by the tip potential. The second channel produces a fan-like set of WGM peaks, reminiscent of the fringes seen in planar geometries by transport measurements. The WGM resonances split in a small applied magnetic field, with a large energy splitting approaching the WGM spacing at 0.5 T. These results agree well with recent theory on Klein scattering in graphene electron resonators. This work is done in collaboration with Y. Zhao, J. Wyrick, F.D. Natterer, J. F. Rodriquez-Nieva, C. Lewandoswski, K. Watanabe, T. Taniguchi, N. B

  18. Computation of Local and Global Properties of the Electron Localization Function Topology in Crystals.

    PubMed

    Contreras-García, J; Pendás, A Martín; Recio, J M; Silvi, B

    2009-01-13

    We present a novel computational procedure, general, automated, and robust, for the analysis of local and global properties of the electron localization function (ELF) in crystalline solids. Our algorithm successfully faces the two main shortcomings of the ELF analysis in crystals: (i) the automated identification and characterization of the ELF induced topology in periodic systems, which is impeded by the great number and concentration of critical points in crystalline cells, and (ii) the localization of the zero flux surfaces and subsequent integration of basins, whose difficulty is due to the diverse (in many occasions very flat or very steep) ELF profiles connecting the set of critical points. Application of the new code to representative crystals exhibiting different bonding patterns is carried out in order to show the performance of the algorithm and the conceptual possibilities offered by the complete characterization of the ELF topology in solids.

  19. Light-induced electron localization in a quantum Hall system

    NASA Astrophysics Data System (ADS)

    Arikawa, T.; Hyodo, K.; Kadoya, Y.; Tanaka, K.

    2017-07-01

    An insulating bulk state is a prerequisite for the protection of topological edge states. In quantum Hall systems, the thermal excitation of delocalized electrons is the main route to breaking bulk insulation. In equilibrium, the only way to achieve a clear bulk gap is to use a high-quality crystal under high magnetic field at low temperature. However, bulk conduction could also be suppressed in a system driven out of equilibrium such that localized states in the Landau levels are selectively occupied. Here we report a transient suppression of bulk conduction induced by terahertz wave excitation between the Landau levels in a GaAs quantum Hall system. Strikingly, the Hall resistivity almost reaches the quantized value at a temperature where the exact quantization is normally disrupted by thermal fluctuations. The electron localization is realized by the long-range potential fluctuations, which are a unique and inherent feature of quantum Hall systems. Our results demonstrate a new means of effecting dynamical control of topology by manipulating bulk conduction using light.

  20. Imaging Local Electronic Corrugations and Doped Regions in Graphene

    SciTech Connect

    B Schultz; C Patridge; V Lee; C Jaye; P Lysaght; C Smith; J Barnett; D Fischer; D Prendergast; S Banerjee

    2011-12-31

    Electronic structure heterogeneities are ubiquitous in two-dimensional graphene and profoundly impact the transport properties of this material. Here we show the mapping of discrete electronic domains within a single graphene sheet using scanning transmission X-ray microscopy in conjunction with ab initio density functional theory calculations. Scanning transmission X-ray microscopy imaging provides a wealth of detail regarding the extent to which the unoccupied levels of graphene are modified by corrugation, doping and adventitious impurities, as a result of synthesis and processing. Local electronic corrugations, visualized as distortions of the {pi}*cloud, have been imaged alongside inhomogeneously doped regions characterized by distinctive spectral signatures of altered unoccupied density of states. The combination of density functional theory calculations, scanning transmission X-ray microscopy imaging, and in situ near-edge X-ray absorption fine structure spectroscopy experiments also provide resolution of a longstanding debate in the literature regarding the spectral assignments of pre-edge and interlayer states.

  1. An optimized locally adaptive non-local means denoising filter for cryo-electron microscopy data.

    PubMed

    Wei, Dai-Yu; Yin, Chang-Cheng

    2010-12-01

    Cryo-electron microscopy (cryo-EM) now plays an important role in structural analysis of macromolecular complexes, organelles and cells. However, the cryo-EM images obtained close to focus and under low dose conditions have a very high level of noise and a very low contrast, which hinders high-resolution structural analysis. Here, an optimized locally adaptive non-local (LANL) means filter, which can preserve signal details and simultaneously significantly suppress noise for cryo-EM data, is presented. This filter takes advantage of a wide range of pixels to estimate the denoised pixel values instead of the traditional filter that only uses pixels in the local neighborhood. The filter performed well on simulated data and showed promising results on raw cryo-EM images and tomograms. The predominant advantage of this optimized LANL-means filter is the structural signal and the background are clearly distinguishable. This locally adaptive non-local means filter may become a useful tool in the analysis of cryo-EM data, such as automatic particle picking, extracting structural features and segmentation of tomograms.

  2. Local Electronic And Dielectric Properties at Nanosized Interfaces

    SciTech Connect

    Bonnell, Dawn A.

    2015-02-23

    Final Report to the Department of Energy for period 6/1/2000 to 11/30/2014 for Grant # DE-FG02-00ER45813-A000 to the University of Pennsylvania Local Electronic And Dielectric Properties at Nanosized Interfaces PI: Dawn Bonnell The behavior of grain boundaries and interfaces has been a focus of fundamental research for decades because variations of structure and composition at interfaces dictate mechanical, electrical, optical and dielectric properties in solids. Similarly, the consequence of atomic and electronic structures of surfaces to chemical and physical interactions are critical due to their implications to catalysis and device fabrication. Increasing fundamental understanding of surfaces and interfaces has materially advanced technologies that directly bear on energy considerations. Currently, exciting developments in materials processing are enabling creative new electrical, optical and chemical device configurations. Controlled synthesis of nanoparticles, semiconducting nanowires and nanorods, optical quantum dots, etc. along with a range of strategies for assembling and patterning nanostructures portend the viability of new devices that have the potential to significantly impact the energy landscape. As devices become smaller the impact of interfaces and surfaces grows geometrically. As with other nanoscale phenomena, small interfaces do not exhibit the same properties as do large interfaces. The size dependence of interface properties had not been explored and understanding at the most fundamental level is necessary to the advancement of nanostructured devices. An equally important factor in the behavior of interfaces in devices is the ability to examine the interfaces under realistic conditions. For example, interfaces and boundaries dictate the behavior of oxide fuel cells which operate at extremely high temperatures in dynamic high pressure chemical environments. These conditions preclude the characterization of local properties during fuel cell

  3. How localized is ``local?'' Efficiency vs. accuracy of O(N) domain decomposition in local orbital based all-electron electronic structure theory

    NASA Astrophysics Data System (ADS)

    Havu, Vile; Blum, Volker; Scheffler, Matthias

    2007-03-01

    Numeric atom-centered local orbitals (NAO) are efficient basis sets for all-electron electronic structure theory. The locality of NAO's can be exploited to render (in principle) all operations of the self-consistency cycle O(N). This is straightforward for 3D integrals using domain decomposition into spatially close subsets of integration points, enabling critical computational savings that are effective from ˜tens of atoms (no significant overhead for smaller systems) and make large systems (100s of atoms) computationally feasible. Using a new all-electron NAO-based code,^1 we investigate the quantitative impact of exploiting this locality on two distinct classes of systems: Large light-element molecules [Alanine-based polypeptide chains (Ala)n], and compact transition metal clusters. Strict NAO locality is achieved by imposing a cutoff potential with an onset radius rc, and exploited by appropriately shaped integration domains (subsets of integration points). Conventional tight rc<= 3å have no measurable accuracy impact in (Ala)n, but introduce inaccuracies of 20-30 meV/atom in Cun. The domain shape impacts the computational effort by only 10-20 % for reasonable rc. ^1 V. Blum, R. Gehrke, P. Havu, V. Havu, M. Scheffler, The FHI Ab Initio Molecular Simulations (aims) Project, Fritz-Haber-Institut, Berlin (2006).

  4. Local electronic structures in electron-doped cuprates with coexisting orders

    NASA Astrophysics Data System (ADS)

    Liu, Bin; Hu, Xiao

    2010-12-01

    Motivated by the observation of a so-called non-monotonic gap in recent angle-resolved photoemission spectroscopy measurement, we study the local electronic structure near impurities in electron-doped cuprates by considering the influence of antiferromagnetic (AF) spin-density-wave (SDW) order. We find that the evolution of density of states (DOS) with AF SDW order clearly indicates the non-monotonic d-wave gap behavior. More interestingly, the local DOS for spin-up is much different from that for spin-down with increasing AF SDW order. As a result, the impurity induced resonance state near the Fermi energy exhibits a spin-polarized feature. These features can be detected by spin-polarized scanning tunneling microscopy experiments.

  5. Local electron-electron interaction strength in ferromagnetic nickel determined by spin-polarized positron annihilation

    PubMed Central

    Ceeh, Hubert; Weber, Josef Andreass; Böni, Peter; Leitner, Michael; Benea, Diana; Chioncel, Liviu; Ebert, Hubert; Minár, Jan; Vollhardt, Dieter; Hugenschmidt, Christoph

    2016-01-01

    We employ a positron annihilation technique, the spin-polarized two-dimensional angular correlation of annihilation radiation (2D-ACAR), to measure the spin-difference spectra of ferromagnetic nickel. The experimental data are compared with the theoretical results obtained within a combination of the local spin density approximation (LSDA) and the many-body dynamical mean-field theory (DMFT). We find that the self-energy defining the electronic correlations in Ni leads to anisotropic contributions to the momentum distribution. By direct comparison of the theoretical and experimental results we determine the strength of the local electronic interaction U in ferromagnetic Ni as 2.0 ± 0.1 eV. PMID:26879249

  6. [Localization of the apical foramen using the newest electronic instruments: stereomicroscopy and SEM (scanning electron microscopy)].

    PubMed

    Pagavino, G; Diamante, D; Marri, M; Pace, R

    1995-11-01

    Introduction of double impedence as new parameter in root canal length electronic measurement allowed first and second generation electronic apical localizers main problems overcoming: precision failure in presence of conducting fluids. Our study's purpose was an in vitro evaluation of two third generation instruments (Apit-Osada and Root ZX-Morita Corp.) ability in apical foramen localization using sodium hypoclorite as irrigating solution. 40 human monorooted teeth with immature apex were studied. 20 samples were measured by Apit and 20 by Root ZX; measurements were recorded when apical foramen was reached. Samples were fixed for stereomicroscope observation before and after apical 3 mm worn and prepared for SEM observation. Evaluations about each system's precision were made by calculating difference between foramen position determined by electronic localizer and its real anatomical position determined by a computed image analizing system linked to SEM. All measurements were included between a minimum value of -0.45 mm and a maximum value of 0.26 mm. Mann Whithney U test was performed to compare average values of the two sample groups but his was not meaningful (p = 0.18) showing that there is no valuable difference in accuracy between Apit and Root ZX. According to most researchers, who consider a +/- 0.5 mm error range clinically acceptable, and considering that in vitro measurements never exceded this limit value we conclude confirming both instruments' safety.

  7. Probing local work function of electron emitting Si-nanofacets

    NASA Astrophysics Data System (ADS)

    Basu, Tanmoy; Som, Tapobrata

    2017-10-01

    Large area, Si-nanofacets are synthesized by obliquely incident low energy Ar+-ion-beam bombardment at room temperature (RT). The field emission properties of such nanofacets are studied based on current-voltage measurements and the Fowler-Nordheim equation. Low turn-on field with relatively high current density is obtained due to the shape and an overall rough morphology. We demonstrate a tunable field emission property from the silicon nanofacets by varying the ion exposure time. Atomic force microscopy (AFM) in conjunction with Kelvin probe force microscopy (KPFM) measurements provide the information on the aspect ratio and confirms the presence of native oxide layer near the apexes of the facets, respectively. The inhomogeneous oxidation leads to an increase in the local work function at the apexes of the facets, restricting the electron emission from the same. Due to its room temperature fabrication, the present method is of great significance to the low-cost vacuum field emission devices fabrication.

  8. A diagrammatic quantum field approach to localized-electron systems

    NASA Astrophysics Data System (ADS)

    Bonev, Stanimir; Ashcroft, Neil W.

    2002-03-01

    We present a diagrammatic language for the variational evaluation of the energy of systems with localized electrons. It is used to develop a convergent series expansion for the energy in powers of overlap integrals of single-particle orbitals. This method gives intuitive and practical rules for writing down the expansion to arbitrary order of overlap, and can be applied to any spin configuration, and to any dimension. Our approach extends previous work by van Dijk and Vertogen,(L. G. J. van Dijk and G. Vertogen, J. Phys.: Condens. Matter 3), 7763 (1991). Abarenkov,(I. V. Abarenkov, J. Phys.: Condens. Matter 5) 2341 (1993). and Moulopoulos and Ashcroft.(K. Moulopoulos and N. W. Ashcroft, Phys. Rev. B 48) 11646 (1993).

  9. Electronic energy transfer: Localized operator partitioning of electronic energy in composite quantum systems

    NASA Astrophysics Data System (ADS)

    Khan, Yaser; Brumer, Paul

    2012-11-01

    A Hamiltonian based approach using spatially localized projection operators is introduced to give precise meaning to the chemically intuitive idea of the electronic energy on a quantum subsystem. This definition facilitates the study of electronic energy transfer in arbitrarily coupled quantum systems. In particular, the decomposition scheme can be applied to molecular components that are strongly interacting (with significant orbital overlap) as well as to isolated fragments. The result defines a consistent electronic energy at all internuclear distances, including the case of separated fragments, and reduces to the well-known Förster and Dexter results in their respective limits. Numerical calculations of coherent energy and charge transfer dynamics in simple model systems are presented and the effect of collisionally induced decoherence is examined.

  10. Electron-electron interaction, weak localization and spin valve effect in vertical-transport graphene devices

    SciTech Connect

    Long, Mingsheng; Gong, Youpin; Wei, Xiangfei; Zhu, Chao; Xu, Jianbao; Liu, Ping; Guo, Yufen; Li, Weiwei; Liu, Liwei; Liu, Guangtong

    2014-04-14

    We fabricated a vertical structure device, in which graphene is sandwiched between two asymmetric ferromagnetic electrodes. The measurements of electron and spin transport were performed across the combined channels containing the vertical and horizontal components. The presence of electron-electron interaction (EEI) was found not only at low temperatures but also at moderate temperatures up to ∼120 K, and EEI dominates over weak localization (WL) with and without applying magnetic fields perpendicular to the sample plane. Moreover, spin valve effect was observed when magnetic filed is swept at the direction parallel to the sample surface. We attribute the EEI and WL surviving at a relatively high temperature to the effective suppress of phonon scattering in the vertical device structure. The findings open a way for studying quantum correlation at relatively high temperature.

  11. MAILROOM- A LOCAL AREA NETWORK ELECTRONIC MAIL PROGRAM

    NASA Technical Reports Server (NTRS)

    Weiner, M. J.

    1994-01-01

    The Mailroom program is a Local Area Network (LAN) electronic mail program. It allows LAN users to electronically exchange notes, letters, reminders, or any sort of communication via their computer. The Mailroom program links all LAN users into a communication circle where messages can be created, sent, copied, printed, downloaded, uploaded, and deleted through a series of menu-driven screens. Mailroom includes a feature which allows users to determine if a message they have sent has been read by the receiver. Each user must be separately installed and removed from Mailroom as they join or leave the network. Mailroom comes with a program that accomplishes this with minimum of effort on the part of the Network Administrator/Manager. There is also a program that allows the Network Administrator/Manager to install Mailroom on each user's workstation so that on execution of Mailroom the user's station may be identified and the configurations settings activated. It will create its own configuration and data/supporting files during the setup and installation process. The Mailroom program is written in Microsoft QuickBasic. It was developed to run on networked IBM XT/ATs or compatibles and requires that all participating workstations share a common drive. It has been implemented under DOS 3.2 and has a memory requirement of 71K. Mailroom was developed in 1988.

  12. Electron microscopic localization of cytoplasmic myosin with ferritin- labeled antibodies

    PubMed Central

    1981-01-01

    We localized myosin in vertebrate nonmuscle cells by electron microscopy using purified antibodies coupled with ferritin. Native and formaldehyde-fixed filaments of purified platelet myosin filaments each consisting of approximately 30 myosin molecules bound an equivalent number of ferritin-antimyosin conjugates. In preparations of crude platelet actomyosin, the ferritin-antimyosin bound exclusively to similar short, 10-15 nm wide filaments. In both cases, binding of the ferritin-antimyosin to the myosin filaments was blocked by preincubation with unlabeled antimyosin. With indirect fluorescent antibody staining at the light microscope level, we found that the ferritin-antimyosin and unlabeled antimyosin stained HeLa cells identically, with the antibodies concentrated in 0.5-microns spots along stress fibers. By electron microscopy, we found that the concentration of ferritin-antimyosin in the dense regions of stress fibers was five to six times that in the intervening less dense regions, 20 times that in the cytoplasmic matrix, and 100 times that in the nucleus. These concentration differences may account for the light microscope antibody staining pattern of spread interphase cells. Some, but certainly not all, of the ferritin-antimyosin was associated with 10-15-nm filaments. In mouse intestinal epithelial cells, ferritin- antimyosin was located almost exclusively in the terminal web. In isolated brush borders exposed to 5 mM MgCl2, ferritin-antimyosin was also concentrated in the terminal web associated with 10-15-nm filaments. PMID:7193682

  13. MAILROOM- A LOCAL AREA NETWORK ELECTRONIC MAIL PROGRAM

    NASA Technical Reports Server (NTRS)

    Weiner, M. J.

    1994-01-01

    The Mailroom program is a Local Area Network (LAN) electronic mail program. It allows LAN users to electronically exchange notes, letters, reminders, or any sort of communication via their computer. The Mailroom program links all LAN users into a communication circle where messages can be created, sent, copied, printed, downloaded, uploaded, and deleted through a series of menu-driven screens. Mailroom includes a feature which allows users to determine if a message they have sent has been read by the receiver. Each user must be separately installed and removed from Mailroom as they join or leave the network. Mailroom comes with a program that accomplishes this with minimum of effort on the part of the Network Administrator/Manager. There is also a program that allows the Network Administrator/Manager to install Mailroom on each user's workstation so that on execution of Mailroom the user's station may be identified and the configurations settings activated. It will create its own configuration and data/supporting files during the setup and installation process. The Mailroom program is written in Microsoft QuickBasic. It was developed to run on networked IBM XT/ATs or compatibles and requires that all participating workstations share a common drive. It has been implemented under DOS 3.2 and has a memory requirement of 71K. Mailroom was developed in 1988.

  14. The local electronic structure of α-Li3N

    SciTech Connect

    Fister, Timothy T.; Siedler, Gerald T.; Shirley, E. L.; Vila, Fernando D.; Nagle, Kenneth P.; Rehr, John J.; Linehan, John C.; Cross, Julie O.

    2008-07-28

    We investigate the local electronic structure of α-Li3N by the combination of nonresonant inelastic x-ray scattering measurements and three independent ab initio theoretical treatments. Experimental determination of the local final density of states projected onto an orbital angular momentum basis (l-DOS) for Li 1s initial states finds strong similarities in the s- and p-DOS throughout the near-edge region, which we attribute to the 3-fold rotational symmetry about Li sites in the Li2N sheets of α-Li3N. We also find a significant correspondence between the near-edge spectra for the Li 1s and N 1s contributions to the NRIXS signal. This is unexpected, as such behavior is typically associated with covalent materials whereas α-Li3N is strongly ionic. We explain that such similarity in the DOS at different sites in either ionic or covalent systems may occur when the core-hole lifetimes are very long, so that the lifetime of the photoelectron is the dominant factor in cutting off high-order multiple scattering in the near-edge regime. This work was supported by the U.S. Department of Energy's Office of Basic Energy Sciences. The Pacific Northwest National Laboratory is operated by Battelle for DOE.

  15. Local electronic, sensing and optical properties of carbon nanotubes

    NASA Astrophysics Data System (ADS)

    Staii, Cristian

    The work presented in this thesis is focused on the electronic and optical properties of single wall carbon nanotubes (swCNs). In a first set of experiments we investigate the local electronic properties of swCNs using novel scanning probe microscopies. We use Scanning Gate Microscopy (SGM) to measure the energy of the resonant scattering centers in metallic swCNs, and to show the local nature of the memory effect observed in swCN field effect transistors (swCN-FETs). We also combine Impedance Spectroscopy and SGM to measure the high frequency properties of swCN-FETs. These experiments provide the first observations concerning the role of individual defects at high frequencies. The results are consistent with a simple parallel R-C circuit model for the swCN-FET. Furthermore, we present a quantitative model for the phase shifts observed in Scanning Conductance Microscopy (SCM) and demonstrate that this can be used to investigate the electronic properties of nanoscale samples without requiring electrical contacts. We provide a general method based on SCM that can be used to measure the dielectric constant of nanoscale objects. In a second set of experiments we demonstrate that swCN-FETs functionalized with single stranded DNA (ss-DNA) act as highly sensitive chemical sensors. The ss-DNA decorated swCN-FETs are sensitive to chemical species (odors) that do not cause a detectable response in non-functionalized swCN-FETs. Moreover, odor responses of these devices are different in sign and magnitude for different odors, and the odor response characteristics are dependent on the base sequence of the ss-DNA used to decorate the swCN. These results suggest that swCN-FET functionalized with ss-DNA and related molecules (RNA, aptamers, etc) are extremely promising candidates for sensing applications. Finally, we present photoluminescence measurements on individual swCNs, freely suspended across open apertures. These experiments show asymmetric peak line shapes, with line

  16. 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.

  17. 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.

  18. 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

  19. Is localized infrared spectroscopy now possible in the electron microscope?

    PubMed

    Rez, Peter

    2014-06-01

    The recently developed in-column monochromators make it possible to record energy-c spectra with resolutions better than 30 meV from nanometer-sized regions. It should therefore in principle be possible to detect localized vibrational excitations. The scattering geometry in the electron microscope means that bond stretching in the specimen plane or longitudinal optic phonons dominate the scattering. Most promising for initial studies are vibrations with energies between 300 and 400 meV from hydrogen bonded to other atoms. Estimates of the scattering cross-sections on the basis of a simple model show that they are about the same as inner shell scattering cross-sections. Cross-sections also increase with charge transfer between the atoms, and theory incorporating realistic charge distributions shows that signal/noise is the only limitation to high-resolution imaging. Given the magnitude of the scattering cross-sections, minimizing the tail of the zero-loss peak is just as important as achieving a small-width at half-maximum. Improvements in both resolution and controlling the zero-loss tail will be necessary before it is practical to detect optic phonons in solids between 40 and 60 meV.

  20. Localized SXR Emission During Electron Bernstein Wave Injection in MST

    NASA Astrophysics Data System (ADS)

    Anderson, Jay; Forest, Cary; Seltzman, Andrew

    2008-11-01

    The electron Bernstein wave has been suggested as a solution to the RFP confinement problem: sustained, off-axis current drive stabilizes the resistive tearing modes which govern thermal transport. A staged experiment to test the feasibility of EBW heating and current drive is underway on MST. Experiments (˜10^5 W) aimed at a demonstration of EBW heating have produced a localized increase in SXR emission. This measured emission is consistent with modeling in its location, energy spectrum and dependence on radial diffusion within the plasma. Preliminary analysis indicates that the emission is strongest in the region where ray tracing predicts maximum deposition of the injected power. The multi-chord SXR camera used is sensitive to 4-7 keV photons which is consistent with Fokker-Plank modeling of EBW injection. The enhanced SXR emission vanishes quickly when radial diffusion in the plasma is high (as indicated by m=0 magnetic activity); this is also consistent with Fokker-Plank modeling. An increase of boron emission (and presumably boron within the plasma) is also observed during EBW injection. This presents an alternative explanation to the enhanced SXR emission; recent efforts have been made to isolate the two effects.

  1. Electronically Tuned Local Oscillators for the NOEMA Interferometer

    NASA Astrophysics Data System (ADS)

    Mattiocco, Francois; Garnier, Olivier; Maier, Doris; Navarrini, Alessandro; Serres, Patrice

    2016-03-01

    We present an overview of the electronically tuned local oscillator (LO) system developed at the Institut de RadioAstronomie millimetrique (IRAM) for the superconductor-insulator-superconductor (SIS) receivers of the NOrthern Extended Millimeter Array interferometer (NOEMA). We modified the frequency bands and extended the bandwidths of the LO designs developed by the National Radio Astronomy Observatory (NRAO) for the Atacama Large Millimeter Array (ALMA) project to cover the four NOEMA LO frequency ranges 82-108.3 GHz (Band 1), 138.6-171.3 GHz (Band 2), 207.7-264.4 GHz (Band 3), and 283-365 GHz (Band 4). The NOEMA LO system employs commercially available MMICs and GaAs millimeter MMICs from NRAO which are micro-assembled into active multiplied chain (AMC) and power amplifier (PA) modules. We discuss the problem of the LO spurious harmonics and of the LO signal directly multiplied by the SIS mixers that add extra noise and lead to detections of unwanted spectral lines from higher order sidebands. A waveguide filter in the LO path is used to reduce the higher order harmonics level of the LO at the output of the final frequency multiplier, thus mitigating the undesired effects and improving the system noise temperature.

  2. Localized electrons on a lattice with incommensurate magnetic flux

    NASA Astrophysics Data System (ADS)

    Fishman, Shmuel; Shapir, Yonathan; Wang, Xiang-Rong

    1992-11-01

    The magnetic-field effects on lattice wave functions of Hofstadter electrons strongly localized at boundaries are studied analytically and numerically. The exponential decay of the wave function is modulated by a field-dependent amplitude J(t)=tprodt-1r=02 cos(παr), where α is the magnetic flux per plaquette (in units of a flux quantum) and t is the distance from the boundary (in units of the lattice spacing). The behavior of ||J(t)|| is found to depend sensitively on the value of α. While for rational values α=p/q the envelope of J(t) increases as 2t/q, the behavior for α irrational (q-->∞) is erratic with an aperiodic structure which drastically changes with α. For algebraic α it is found that J(t) increases as a power law tβ(α) while it grows faster (presumably as tβ(α)lnt) for transcendental α. This is very different from the growth rate J(t)~e√t that is typical for cosines with random phases. The theoretical analysis is extended to products of the type Jν(t)=tprodt-1r=02 cos(παrν) with ν>0. Different behavior of Jν(t) is found in various regimes of ν. It changes from periodic for small ν to randomlike for large ν.

  3. 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.

  4. Observation of 5f states in U/W (110) films by means of scanning tunneling spectroscopy

    NASA Astrophysics Data System (ADS)

    Berbil-Bautista, Luis; Hänke, Torben; Getzlaff, Mathias; Wiesendanger, Roland; Opahle, Ingo; Koepernik, Klaus; Richter, Manuel

    2004-09-01

    We have performed scanning tunneling spectroscopy (STS) investigations on clean metallic uranium epitaxially grown on the (110) surface of a tungsten single crystal at room temperature. This system is known to exhibit an hcp phase with the band structure close to the Fermi level dominated by 5f states. The STS spectra are found to be in good agreement with the results of relativistic band structure calculations based on the local density approximation. The calculated density of states of the Uranium film indicates that the features in the STS spectra are related to 5f -states.

  5. 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

  6. Localized electron heating during magnetic reconnection in MAST

    NASA Astrophysics Data System (ADS)

    Yamada, T.; Tanabe, H.; Watanabe, T. G.; Hayashi, Y.; Imazawa, R.; Inomoto, M.; Ono, Y.; Gryaznevich, M.; Scannell, R.; Michael, C.; The MAST Team

    2016-10-01

    Significant increase in the plasma temperature above 1 keV was measured during the kilogauss magnetic field reconnection of two merging toroidal plasmas under the high-guide field and collision-less conditions. The electron temperature was observed to peak significantly at the X-point inside the current sheet, indicating Joule heating caused by the toroidal electric field along the X-line. This peaked temperature increases significantly with the guide field, in agreement with the electron mean-free path calculation. The slow electron heating in the downstream suggests energy conversion from ions to electrons through ion-electron collisions in the bulk plasma as the second electron heating mechanism in the bulk plasma. The electron density profile clearly reveals the electron density pile-up / fast shock structures in the downstream of reconnection, suggesting energy conversion from ion flow energy to ion thermal energy as well as significant ion heating by reconnection outflow.

  7. 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.

  8. Probing 5f -state configurations in URu2Si2 with U LIII -edge resonant x-ray emission spectroscopy

    DOE PAGES

    Booth, C. H.; Medling, S. A.; Tobin, J. G.; ...

    2016-07-15

    Resonant x-ray emission spectroscopy (RXES) was employed at the U LIII absorption edge and the Lα1 emission line to explore the 5f occupancy, nf, and the degree of 5f-orbital delocalization in the hidden-order compound URu2Si2. By comparing to suitable reference materials such as UF4, UCd11, and α-U, we conclude that the 5f orbital in URu2Si2 is at least partially delocalized with nf=2.87±0.08, and does not change with temperature down to 10 K within the estimated error. These results place further constraints on theoretical explanations of the hidden order, especially those requiring a localized f2 ground state.

  9. 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.

  10. 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

  11. Electronic dental anesthesia in a patient with suspected allergy to local anesthetics: report of case.

    PubMed

    Malamed, S F; Quinn, C L

    1988-01-01

    A 56-year-old patient with alleged allergy to local anesthetics required restorative dental treatment. Electronic dental anesthesia was used successfully, in lieu of injectable local anesthetics, to manage intraoperative pain associated with the restoration of vital mandibular teeth.

  12. Kinetics of vertical transport and localization of electrons in strained semiconductor supperlattices

    SciTech Connect

    Gerchikov, L. G. Mamaev, Yu. A.; Yashin, Yu. P.

    2015-08-15

    The kinetics of vertical electron transport in a semiconductor superlattice is considered taking into account partial localization of electrons. The time dependences of photoemission currents from samples based on a strained semiconductor superlattice calculated by numerically solving the kinetic equation are in good agreement with experimental data. Comparison of the theory with experiment makes it possible to determine the characteristic electron localization and thermoactivation times, the diffusion length, and losses of photoelectrons in the superlattice.

  13. The electron localization as the information content of the conditional pair density

    NASA Astrophysics Data System (ADS)

    Urbina, Andres S.; Torres, F. Javier; Rincon, Luis

    2016-06-01

    In the present work, the information gained by an electron for "knowing" about the position of another electron with the same spin is calculated using the Kullback-Leibler divergence (DKL) between the same-spin conditional pair probability density and the marginal probability. DKL is proposed as an electron localization measurement, based on the observation that regions of the space with high information gain can be associated with strong correlated localized electrons. Taking into consideration the scaling of DKL with the number of σ-spin electrons of a system (Nσ), the quantity χ = (Nσ - 1) DKLfcut is introduced as a general descriptor that allows the quantification of the electron localization in the space. fcut is defined such that it goes smoothly to zero for negligible densities. χ is computed for a selection of atomic and molecular systems in order to test its capability to determine the region in space where electrons are localized. As a general conclusion, χ is able to explain the electron structure of molecules on the basis of chemical grounds with a high degree of success and to produce a clear differentiation of the localization of electrons that can be traced to the fluctuation in the average number of electrons in these regions.

  14. Schedules of Controlled Substances: Temporary Placement of Six Synthetic Cannabinoids (5F-ADB, 5F-AMB, 5F-APINACA, ADB-FUBINACA, MDMB-CHMICA and MDMB-FUBINACA) into Schedule I. Temporary Scheduling Order.

    PubMed

    2017-04-10

    The Administrator of the Drug Enforcement Administration is issuing this temporary scheduling order to schedule six synthetic cannabinoids: methyl 2-(1-(5-fluoropentyl)-1H-indazole-3-carboxamido)-3,3-dimethylbutanoate [5F-ADB; 5F-MDMB-PINACA]; methyl 2-(1-(5-fluoropentyl)-1H-indazole-3-carboxamido)-3-methylbutanoate [5F-AMB]; N-(adamantan-1-yl)-1-(5-fluoropentyl)-1H-indazole-3-carboxamide [5F-APINACA, 5F-AKB48]; N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(4-fluorobenzyl)-1H-indazole-3-carboxamide [ADB-FUBINACA]; methyl 2-(1-(cyclohexylmethyl)-1H-indole-3-carboxamido)-3,3-dimethylbutanoate [MDMB-CHMICA, MMB-CHMINACA] and methyl 2-(1-(4-fluorobenzyl)-1H-indazole-3-carboxamido)-3,3-dimethylbutanoate [MDMB-FUBINACA], and their optical, positional, and geometric isomers, salts, and salts of isomers into schedule I pursuant to the temporary scheduling provisions of the Controlled Substances Act. This action is based on a finding by the Administrator that the placement of these synthetic cannabinoids into schedule I of the Controlled Substances Act is necessary to avoid an imminent hazard to the public safety. As a result of this order, the regulatory controls and administrative, civil, and criminal sanctions applicable to schedule I controlled substances will be imposed 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, 5F-ADB, 5F-AMB, 5F-APINACA, ADB-FUBINACA, MDMB-CHMICA or MDMB-FUBINACA.

  15. A theory of local and global processes which affect solar wind electrons. II - Experimental support

    NASA Technical Reports Server (NTRS)

    Scudder, J. D.; Olbert, S.

    1979-01-01

    Strong observational support from data obtained on three different satellites and reported by three independent experimental groups is presented for all of the theoretically predicted correlations of a previous paper concerning local and global processes that affect solar-wind electrons. Specifically, it is shown that: (1) subthermal electrons behave most nearly as a classical gas; (2) the solar-wind extrathermal fraction of the electron density is anticorrelated within steady-state stream patterns with the local bulk speed; (3) the extrathermal electrons form a spectrally distinguishable subpopulation whose differential 'temperature' is anticorrelated with the local bulk speed; (4) the heat flux carried by electrons is anticorrelated with the bulk speed; and (5) the extrathermal 'temperature' is nearly independent of radius in the inner heliosphere. It is concluded that the previously discussed global and local Coulomb collisional effects are essential aspects of the solar-wind plasma as it is observed.

  16. 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.

  17. 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.

  18. 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

  19. Circularly Polarized Luminescence of Curium: A New Characterization of the 5f Actinide Complexes

    PubMed Central

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

    2012-01-01

    A key distinction between the lanthanide (4f) and 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, the 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. PMID:22920726

  20. Fast probe of local electronic states in nanostructures utilizing a single-lead quantum dot

    PubMed Central

    Otsuka, Tomohiro; Amaha, Shinichi; Nakajima, Takashi; Delbecq, Matthieu R.; Yoneda, Jun; Takeda, Kenta; Sugawara, Retsu; Allison, Giles; Ludwig, Arne; Wieck, Andreas D.; Tarucha, Seigo

    2015-01-01

    Transport measurements are powerful tools to probe electronic properties of solid-state materials. To access properties of local electronic states in nanostructures, such as local density of states, electronic distribution and so on, micro-probes utilizing artificial nanostructures have been invented to perform measurements in addition to those with conventional macroscopic electronic reservoirs. Here we demonstrate a new kind of micro-probe: a fast single-lead quantum dot probe, which utilizes a quantum dot coupled only to the target structure through a tunneling barrier and fast charge readout by RF reflectometry. The probe can directly access the local electronic states with wide bandwidth. The probe can also access more electronic states, not just those around the Fermi level, and the operations are robust against bias voltages and temperatures. PMID:26416582

  1. Using the electron localization function to correct for confinement physics in semi-local density functional theory

    SciTech Connect

    Hao, Feng Mattsson, Ann E.; Armiento, Rickard

    2014-05-14

    We have previously proposed that further improved functionals for density functional theory can be constructed based on the Armiento-Mattsson subsystem functional scheme if, in addition to the uniform electron gas and surface models used in the Armiento-Mattsson 2005 functional, a model for the strongly confined electron gas is also added. However, of central importance for this scheme is an index that identifies regions in space where the correction provided by the confined electron gas should be applied. The electron localization function (ELF) is a well-known indicator of strongly localized electrons. We use a model of a confined electron gas based on the harmonic oscillator to show that regions with high ELF directly coincide with regions where common exchange energy functionals have large errors. This suggests that the harmonic oscillator model together with an index based on the ELF provides the crucial ingredients for future improved semi-local functionals. For a practical illustration of how the proposed scheme is intended to work for a physical system we discuss monoclinic cupric oxide, CuO. A thorough discussion of this system leads us to promote the cell geometry of CuO as a useful benchmark for future semi-local functionals. Very high ELF values are found in a shell around the O ions, and take its maximum value along the Cu–O directions. An estimate of the exchange functional error from the effect of electron confinement in these regions suggests a magnitude and sign that could account for the error in cell geometry.

  2. Using the electron localization function to correct for confinement physics in semi-local density functional theory.

    PubMed

    Hao, Feng; Armiento, Rickard; Mattsson, Ann E

    2014-05-14

    We have previously proposed that further improved functionals for density functional theory can be constructed based on the Armiento-Mattsson subsystem functional scheme if, in addition to the uniform electron gas and surface models used in the Armiento-Mattsson 2005 functional, a model for the strongly confined electron gas is also added. However, of central importance for this scheme is an index that identifies regions in space where the correction provided by the confined electron gas should be applied. The electron localization function (ELF) is a well-known indicator of strongly localized electrons. We use a model of a confined electron gas based on the harmonic oscillator to show that regions with high ELF directly coincide with regions where common exchange energy functionals have large errors. This suggests that the harmonic oscillator model together with an index based on the ELF provides the crucial ingredients for future improved semi-local functionals. For a practical illustration of how the proposed scheme is intended to work for a physical system we discuss monoclinic cupric oxide, CuO. A thorough discussion of this system leads us to promote the cell geometry of CuO as a useful benchmark for future semi-local functionals. Very high ELF values are found in a shell around the O ions, and take its maximum value along the Cu-O directions. An estimate of the exchange functional error from the effect of electron confinement in these regions suggests a magnitude and sign that could account for the error in cell geometry.

  3. Electron localization in a mixed-valence diniobium benzene complex

    DOE PAGES

    Gianetti, Thomas L.; Nocton, Grégory; Minasian, Stefan G.; ...

    2014-11-11

    Reaction of the neutral diniobium benzene complex {[Nb(BDI)NtBu]2(μ-C6H6)} (BDI = N,N'-diisopropylbenzene-β-diketiminate) with Ag[B(C6F5)4] results in a single electron oxidation to produce a cationic diniobium arene complex, {[Nb(BDI)NtBu]2(μ-C6H6)}{B(C6F5)4}. Investigation of the solid state and solution phase structure using single-crystal X-ray diffraction, cyclic voltammetry, magnetic susceptibility, and multinuclear NMR spectroscopy indicates that the oxidation results in an asymmetric molecule with two chemically inequivalent Nb atoms. Further characterization using density functional theory (DFT) calculations, UV-visible, Nb L3,2-edge X-ray absorption near-edge structure (XANES), and EPR spectroscopies supports assignment of a diniobium complex, in which one Nb atom carries a single unpaired electron that ismore » not largely delocalized on the second Nb atom. During the oxidative transformation, one electron is removed from the δ-bonding HOMO, which causes a destabilization of the molecule and formation of an asymmetric product. Subsequent reactivity studies indicate that the oxidized product allows access to metal-based chemistry with substrates that did not exhibit reactivity with the starting neutral complex.« less

  4. Electron localization in a mixed-valence diniobium benzene complex

    SciTech Connect

    Gianetti, Thomas L.; Nocton, Grégory; Minasian, Stefan G.; Kaltsoyannis, Nikolas; Kilcoyne, A. L. David; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Bergman, Robert G.; Arnold, John

    2014-11-11

    Reaction of the neutral diniobium benzene complex {[Nb(BDI)NtBu]2(μ-C6H6)} (BDI = N,N'-diisopropylbenzene-β-diketiminate) with Ag[B(C6F5)4] results in a single electron oxidation to produce a cationic diniobium arene complex, {[Nb(BDI)NtBu]2(μ-C6H6)}{B(C6F5)4}. Investigation of the solid state and solution phase structure using single-crystal X-ray diffraction, cyclic voltammetry, magnetic susceptibility, and multinuclear NMR spectroscopy indicates that the oxidation results in an asymmetric molecule with two chemically inequivalent Nb atoms. Further characterization using density functional theory (DFT) calculations, UV-visible, Nb L3,2-edge X-ray absorption near-edge structure (XANES), and EPR spectroscopies supports assignment of a diniobium complex, in which one Nb atom carries a single unpaired electron that is not largely delocalized on the second Nb atom. During the oxidative transformation, one electron is removed from the δ-bonding HOMO, which causes a destabilization of the molecule and formation of an asymmetric product. Subsequent reactivity studies indicate that the oxidized product allows access to metal-based chemistry with substrates that did not exhibit reactivity with the starting neutral complex.

  5. An electron localization function study of the strain energy in carbon compounds

    NASA Astrophysics Data System (ADS)

    Chevreau, Hilaire; Sevin, Alain

    2000-05-01

    It is shown, through an electron localization function (ELF) analysis of the strain in carbon compounds, that, globally, the valence basins V(CH) and V(CC) tend to preserve a VSEPR (valence shell electron pair repulsion) geometry. This point is clearly illustrated by the valence attractors location. The properties of V(CC) basins, associated with the CC bonds, remain as constant as possible. The main effect of the strain is to modify the maximal electron localization in each V(CC) basin. This study points out once more the difficulty in relating global strain to local bond properties.

  6. The imprint of Gould's belt on the local cosmic ray electron spectrum

    NASA Astrophysics Data System (ADS)

    Pohl, M.; Perrot, C.; Grenier, I.

    2001-08-01

    In a recent paper Pohl and Esposito (1998) demonstrated that if the sources of cosmic-rays are discrete, as are Supernova Remnants (SNR), then the spectra of cosmic-ray electrons largely vary with location and time and the locally measured electron spectrum may not be representative of the electron spectra elsewhere in the Galaxy, which could be substantially harder than the local one. They have shown that the observed excess of γ-ray emission above 1 GeV can in fact be partially explained as a correspondingly hard inverse Compton component, provided the bulk of cosmic-ray electrons is produced in SNR. As part of a program to model the Galactic γ-ray foreground we have continued the earlier studies by investigating the impact of the star forming region Gould's Belt on the local electron spectrum. If the electron sources in Gould's Belt were continous, the local electron spectrum would be slightly hardened. If the electron sources are discrete, which is the more probable case, the variation in the local electron spectrum found by Pohl & Esposito persists. 1 The local cosmic-ray electron spectrum The recent detections of non-thermal X-ray synchrotron radiation from the supernova remnants SN1006 (Koyama et al., 1995), RX J1713.7-3946 (Koyama et al., 1997), IC443 (Keohane et al., 1997; Slane et al., 1999), Cas A (Allen et al., 1997), and RCW86 (Borkowski et al., 2001) and the subsequent detections of SN1006 (Tanimori et al., 1998), RX J1713.7-3946 (Muraishi et al., 2000), and Cas A (Aharonian et al., 2001) at TeV energies support the hypothesis that at least Galactic cosmic-ray electrons are accelerated predominantly in SNR. The Galactic distribution and spectrum of cosmic-ray electrons are intimately linked to the distribution and nature of their sources. Supernovae and hence their remnants are tran-

  7. Electron density power spectrum in the local interstellar medium

    NASA Technical Reports Server (NTRS)

    Armstrong, J. W.; Rickett, B. J.; Spangler, S. R.

    1995-01-01

    Interstellar scintillation (ISS), fluctuations in the amplitude and phase of radio waves caused by scattering in the interstellar medium, is important as a diagnostic of interstellar plasma turbulence. ISS is also of interest because it is noise for other radio astronomical observations. The unifying concern is the power spectrum of the interstellar electron density. Here we use ISS observations through the nearby (less than or approximately =1 kpc) (ISM) to estimate the spectrum. From measurements of angular broadening of pulsars and extragalactic sources, decorrelation bandwidth of pulsars, refractive steering of features in pulsar dynamic spectra, dispersion measured fluctuations of pulsars, and refractive scintillation index measurements, we construct a composite structure function that is approximately power law over 2 x 10(exp 6) m less than scale less than 10(exp 13) m. The data are consistent with the structure function having a logarithmic slope versus baseline less than 2; thus there is a meaningful connection between scales in the radiowave fluctuation field and the scales in the electron density field causing the scattering. The data give an upper limit to the inner scale, l(sub o) less than or approximately 10(exp 8) m and are consistent with much smaller values. We construct a composite electron density spectrum that is approximately power law over at least the approximately = 5 decade wavenumber range 10(exp -13)/m less than wavenumber less than 10(exp -8)/m and that may extend to higher wavenumbers. The average spectral index of electron density over this wavenumber range is approximately = 3.7, very close to the value expected for a Kolmogorov process. The outer scale size, L(sub o), must be greater than or approximately = 10(exp 13) m (determined from dispersion measure fluctuations). When the ISS data are combined with measurements of differential Faraday rotation angle, and gradients in the average electron density, constraints can be put on the

  8. Electron density power spectrum in the local interstellar medium

    NASA Technical Reports Server (NTRS)

    Armstrong, J. W.; Rickett, B. J.; Spangler, S. R.

    1995-01-01

    Interstellar scintillation (ISS), fluctuations in the amplitude and phase of radio waves caused by scattering in the interstellar medium, is important as a diagnostic of interstellar plasma turbulence. ISS is also of interest because it is noise for other radio astronomical observations. The unifying concern is the power spectrum of the interstellar electron density. Here we use ISS observations through the nearby (less than or approximately =1 kpc) (ISM) to estimate the spectrum. From measurements of angular broadening of pulsars and extragalactic sources, decorrelation bandwidth of pulsars, refractive steering of features in pulsar dynamic spectra, dispersion measured fluctuations of pulsars, and refractive scintillation index measurements, we construct a composite structure function that is approximately power law over 2 x 10(exp 6) m less than scale less than 10(exp 13) m. The data are consistent with the structure function having a logarithmic slope versus baseline less than 2; thus there is a meaningful connection between scales in the radiowave fluctuation field and the scales in the electron density field causing the scattering. The data give an upper limit to the inner scale, l(sub o) less than or approximately 10(exp 8) m and are consistent with much smaller values. We construct a composite electron density spectrum that is approximately power law over at least the approximately = 5 decade wavenumber range 10(exp -13)/m less than wavenumber less than 10(exp -8)/m and that may extend to higher wavenumbers. The average spectral index of electron density over this wavenumber range is approximately = 3.7, very close to the value expected for a Kolmogorov process. The outer scale size, L(sub o), must be greater than or approximately = 10(exp 13) m (determined from dispersion measure fluctuations). When the ISS data are combined with measurements of differential Faraday rotation angle, and gradients in the average electron density, constraints can be put on the

  9. Local demixion in plasticized polylactide probed by electron spin resonance.

    PubMed

    Courgneau, Cécile; Vitrac, Olivier; Ducruet, Violette; Riquet, Anne-Marie

    2013-08-01

    Improving the barrier properties to gas and organic compounds of biosourced polyesters, such as polylactides (PLAs), by increasing their crystallinity has been suggested by several authors. This paper investigates the risk of microphase separation for a technological approach that would involve a plasticization of PLA, to further its crystallization kinetics, with common plasticizers: Acetyl tributyl citrate (ATBC) and Poly(ethylene glycol) (PEG). Overplasticization effects following microphase separation were monitored along the film thickness by exposing dynamically thermo-compressed films to nitroxide spin-probes. The method enabled a scan of the local polymer mobility for different concentration profiles in spin-probes, with in particular a maximum moving continuously in time towards the geometric center. The results were interpreted as excess local temperatures that would give similar ESR spectra motion in the bulk. It was shown that measured excess temperatures could be related to local shifts in the glass transition temperature along the film thickness. Copyright © 2013 Elsevier Inc. All rights reserved.

  10. Pharmacology of Valinate and tert-Leucinate Synthetic Cannabinoids 5F-AMBICA, 5F-AMB, 5F-ADB, AMB-FUBINACA, MDMB-FUBINACA, MDMB-CHMICA, and Their Analogues.

    PubMed

    Banister, Samuel D; Longworth, Mitchell; Kevin, Richard; Sachdev, Shivani; Santiago, Marina; Stuart, Jordyn; Mack, James B C; Glass, Michelle; McGregor, Iain S; Connor, Mark; Kassiou, Michael

    2016-09-21

    Indole and indazole synthetic cannabinoids (SCs) featuring l-valinate or l-tert-leucinate pendant group have recently emerged as prevalent recreational drugs, and their use has been associated with serious adverse health effects. Due to the limited pharmacological data available for these compounds, 5F-AMBICA, 5F-AMB, 5F-ADB, AMB-FUBINACA, MDMB-FUBINACA, MDMB-CHMICA, and their analogues were synthesized and assessed for cannabimimetic activity in vitro and in vivo. All SCs acted as potent, highly efficacious agonists at CB1 (EC50 = 0.45-36 nM) and CB2 (EC50 = 4.6-128 nM) receptors in a fluorometric assay of membrane potential, with a general preference for CB1 activation. The cannabimimetic properties of two prevalent compounds with confirmed toxicity in humans, 5F-AMB and MDMB-FUBINACA, were demonstrated in vivo using biotelemetry in rats. Bradycardia and hypothermia were induced by 5F-AMB and MDMB-FUBINACA doses of 0.1-1 mg/kg (and 3 mg/kg for 5F-AMB), with MDMB-FUBINACA showing the most dramatic hypothermic response recorded in our laboratory for any SC (>3 °C at 0.3 mg/kg). Reversal of hypothermia by pretreatment with a CB1, but not CB2, antagonist was demonstrated for 5F-AMB and MDMB-FUBINACA, consistent with CB1-mediated effects in vivo. The in vitro and in vivo data indicate that these SCs act as highly efficacious CB receptor agonists with greater potency than Δ(9)-THC and earlier generations of SCs.

  11. European X-Ray Free Electron Laser (EXFEL): local implications

    NASA Astrophysics Data System (ADS)

    Romaniuk, Ryszard S.

    2013-10-01

    European X-Ray FEL - free electron laser is under construction in DESY Hamburg. It is scheduled to be operational at 2015/16 at a cost more than 1 billion Euro. The laser uses SASE method to generate x-ray light. It is propelled by an electron linac of 17,5GeV energy and more than 2km in length. The linac uses superconducting SRF TESLA technology working at 1,3 GHz in frequency. The prototype of EXFEL is FLASH Laser (200 m in length), where the "proof of principle" was checked, and from the technologies were transferred to the bigger machine. The project was stared in the nineties by building a TTF Laboratory -Tesla Test Facility. The EXFEL laser is a child of a much bigger teraelectronovolt collider project TESLA (now abandoned in Germany but undertaken by international community in a form the ILC). A number of experts and young researchers from Poland participate in the design, construction and research of the FLASH and EXFEL lasers.

  12. Schedules of Controlled Substances: Temporary Placement of Six Synthetic Cannabinoids (5F-ADB, 5F-AMB, 5F-APINACA, ADB-FUBINACA, MDMB- CHMICA and MDMB-FUBINACA) Into Schedule I. Notice of Intent.

    PubMed

    2016-12-21

    The Administrator of the Drug Enforcement Administration is issuing this notice of intent to temporarily schedule six synthetic cannabinoids: methyl 2-(1-(5-fluoropentyl)-1H-indazole-3-carboxamido)-3,3-dimethylbutanoate [5F-ADB; 5F-MDMB-PINACA]; methyl 2-(1-(5-fluoropentyl)-1H-indazole-3-carboxamido)-3-methylbutanoate [5F-AMB]; N-(adamantan-1-yl)-1-(5-fluoropentyl)-1H-indazole-3-carboxamide [5F-APINACA, 5F-AKB48]; N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(4-fluorobenzyl)-1H-indazole-3-carboxamide [ADB-FUBINACA]; methyl 2-(1-(cyclohexylmethyl)-1H-indole-3-carboxamido)-3,3-dimethylbutanoate [MDMB-CHMICA, MMB-CHMINACA] and methyl 2-(1-(4-fluorobenzyl)-1H-indazole-3-carboxamido)-3,3-dimethylbutanoate [MDMB-FUBINACA], into schedule I pursuant to the temporary scheduling provisions of the Controlled Substances Act (CSA). This action is based on a finding by the Administrator that the placement of these synthetic cannabinoids into schedule I of the Controlled Substances Act is necessary to avoid an imminent hazard to the public safety. Any final order will impose the administrative, civil, and criminal sanctions and regulatory controls applicable to schedule I substances under the Controlled Substances Act on the manufacture, distribution, possession, importation, exportation of, and research and conduct with, instructional activities of these synthetic cannabinoids.

  13. A Transport Model for Non-Local Heating of Electrons in ICP Reactors

    NASA Technical Reports Server (NTRS)

    Chang, C. H.; Bose, Deepak; Arnold, James O. (Technical Monitor)

    1998-01-01

    A new model has been developed for non-local heating of electrons in ICP reactors, based on a hydrodynamic approach. The model has been derived using the electron momentum conservation in azimuthal direction with electromagnetic and frictional forces respectively as driving force and damper of harmonic oscillatory motion of electrons. The resulting transport equations include the convection of azimuthal electron momentum in radial and axial directions, thereby accounting for the non-local effects. The azimuthal velocity of electrons and the resulting electrical current are coupled to the Maxwell's relations, thus forming a self-consistent model for non-local heating. This model is being implemented along with a set of Navier-Stokes equations for plasma dynamics and gas flow to simulate low-pressure (few mTorr's) ICP discharges. Characteristics of nitrogen plasma in a TCP 300mm etch reactor is being studied. The results will be compared against the available Langmuir probe measurements.

  14. Observing electron localization in a dissociating H2+ molecule in real time

    NASA Astrophysics Data System (ADS)

    Xu, H.; Li, Zhichao; He, Feng; Wang, X.; Atia-Tul-Noor, A.; Kielpinski, D.; Sang, R. T.; Litvinyuk, I. V.

    2017-06-01

    Dissociation of diatomic molecules with odd number of electrons always causes the unpaired electron to localize on one of the two resulting atomic fragments. In the simplest diatomic molecule H2+ dissociation yields a hydrogen atom and a proton with the sole electron ending up on one of the two nuclei. That is equivalent to breaking of a chemical bond--the most fundamental chemical process. Here we observe such electron localization in real time by performing a pump-probe experiment. We demonstrate that in H2+ electron localization is complete in just 15 fs when the molecule's internuclear distance reaches 8 atomic units. The measurement is supported by a theoretical simulation based on numerical solution of the time-dependent Schrödinger equation. This observation advances our understanding of detailed dynamics of molecular dissociation.

  15. Studies of local electron heat transport on TFTR

    SciTech Connect

    Fredrickson, E.D.; Chang, Z.Y.; Janos, A.; McGuire, K.M.; Scott, S.; Taylor, G.

    1993-08-16

    The anomalously fast relaxation of the perturbations to the electron temperature profile caused by a sawtooth crash has been studied extensively on TFTR. We will show that on a short timescale the heat pulse is not simply diffusive as has been generally assumed, but that modeling of the heat pulse requires a transient enhancement in {chi}{sub e} following the sawtooth crash. It will be shown that the time-dependent enhancement in {chi}{sub e} predicted by non-linear thermal transport models, i.e., incremental {chi} models or the Rebut-Lallia-Watkins transport model, is much smaller than that required to explain the anomalies in the heat pulse propagation.

  16. Electron localization function in full-potential representation for crystalline materials.

    PubMed

    Ormeci, A; Rosner, H; Wagner, F R; Kohout, M; Grin, Yu

    2006-01-26

    The electron localization function (ELF) is implemented in the first-principles, all-electron, full-potential local orbital method. This full-potential implementation increases the accuracy with which the ELF can be computed for crystalline materials. Some representative results obtained are presented and compared with the results of other methods. Although for crystal structures with directed bonding only minor differences are found, in simple elemental metals, there are differences in the valence region, which give rise to different ELF topologies.

  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. Quantum transport through disordered 1D wires: Conductance via localized and delocalized electrons

    SciTech Connect

    Gopar, Víctor A.

    2014-01-14

    Coherent electronic transport through disordered systems, like quantum wires, is a topic of fundamental and practical interest. In particular, the exponential localization of electron wave functions-Anderson localization-due to the presence of disorder has been widely studied. In fact, Anderson localization, is not an phenomenon exclusive to electrons but it has been observed in microwave and acoustic experiments, photonic materials, cold atoms, etc. Nowadays, many properties of electronic transport of quantum wires have been successfully described within a scaling approach to Anderson localization. On the other hand, anomalous localization or delocalization is, in relation to the Anderson problem, a less studied phenomenon. Although one can find signatures of anomalous localization in very different systems in nature. In the problem of electronic transport, a source of delocalization may come from symmetries present in the system and particular disorder configurations, like the so-called Lévy-type disorder. We have developed a theoretical model to describe the statistical properties of transport when electron wave functions are delocalized. In particular, we show that only two physical parameters determine the complete conductance distribution.

  19. Dynamic modulation of electronic properties of graphene by localized carbon doping using focused electron beam induced deposition.

    PubMed

    Kim, S; Russell, M; Henry, M; Kim, S S; Naik, R R; Voevodin, A A; Jang, S S; Tsukruk, V V; Fedorov, A G

    2015-09-28

    We report on the first demonstration of controllable carbon doping of graphene to engineer local electronic properties of a graphene conduction channel using focused electron beam induced deposition (FEBID). Electrical measurements indicate that an "n-p-n" junction on graphene conduction channel is formed by partial carbon deposition near the source and drain metal contacts by low energy (<50 eV) secondary electrons due to inelastic collisions of long range backscattered primary electrons generated from a low dose of high energy (25 keV) electron beam (1 × 10(18) e(-) per cm(2)). Detailed AFM imaging provides direct evidence of the new mechanism responsible for dynamic evolution of the locally varying graphene doping. The FEBID carbon atoms, which are physisorbed and weakly bound to graphene, diffuse towards the middle of graphene conduction channel due to their surface chemical potential gradient, resulting in negative shift of Dirac voltage. Increasing a primary electron dose to 1 × 10(19) e(-) per cm(2) results in a significant increase of carbon deposition, such that it covers the entire graphene conduction channel at high surface density, leading to n-doping of graphene channel. Collectively, these findings establish a unique capability of FEBID technique to dynamically modulate the doping state of graphene, thus enabling a new route to resist-free, "direct-write" functional patterning of graphene-based electronic devices with potential for on-demand re-configurability.

  20. On the local representation of the electronic momentum operator in atomic systems

    NASA Astrophysics Data System (ADS)

    Bohórquez, Hugo J.; Boyd, Russell J.

    2008-07-01

    The local quantum theory is applied to the study of the momentum operator in atomic systems. Consequently, a quantum-based local momentum expression in terms of the single-electron density is determined. The limiting values of this function correctly obey two fundamental theorems: Kato's cusp condition and the Hoffmann-Ostenhof and Hoffmann-Ostenhof exponential decay. The local momentum also depicts the electron shell structure in atoms as given by its local maxima and inflection points. The integration of the electron density in a shell gives electron populations that are in agreement with the ones expected from the Periodic Table of the elements. The shell structure obtained is in agreement with the higher level of theory computations, which include the Kohn-Sham kinetic energy density. The average of the local kinetic energy associated with the local momentum is the Weizsäcker kinetic energy. In conclusion, the local representation of the momentum operator provides relevant information about the electronic properties of the atom at any distance from the nucleus.

  1. Study of local atomic order in amorphous materials in a computerized transmission electron microscope.

    PubMed

    Balossier, G; Garg, R K; Bonhomme, P; Thomas, X

    1989-03-01

    Experimental results obtained by electron diffraction (ED) and extended electron energy loss fine structure (EXELFS) techniques to study the local atomic order in amorphous materials such as carbon, silicon, and its oxides are described. Potential applications of ED and EXELFS techniques and their limitations are also discussed.

  2. Electronic and local structures of BiFeO₃ films.

    PubMed

    Yoneda, Y; Sakamoto, W

    2011-01-12

    The electronic structure of BiFeO₃ (BFO), BiFeO₃-PbTiO(3) solid solution (BFO-PT), and Mn-doped BFO-PT (BFM-PT) films fabricated by chemical solution deposition was investigated by x-ray absorption fine structure (XAFS). The BiFeO₃ shows a large leakage current owing to the mixed valance state of Fe(2 +) and Fe(3 +). The BFO film has a blunt absorption edge jump indicating the charge fluctuated state of the iron ions. The BFO-PT and BFM-PT films have sharp absorption edges, and the absorption energy of these films shifted to opposite energy. The valence fluctuation of the iron ions was closely connected with the leakage current properties. The charge fluctuated BFO film showed a leaky feature, and the charge unfluctuated BFO-PT and BFM-PT films had improved leakage current properties. The valence fluctuation of the iron ions can be controlled by Mn substitution and by making solid solutions.

  3. Electronic Resources in a Next-Generation Catalog: The Case of WorldCat Local

    ERIC Educational Resources Information Center

    Shadle, Steve

    2009-01-01

    In April 2007, the University of Washington Libraries debuted WorldCat Local (WCL), a localized version of the WorldCat database that interoperates with a library's integrated library system and fulfillment services to provide a single-search interface for a library's physical and electronic content. This brief will describe how WCL incorporates a…

  4. Electronic Resources in a Next-Generation Catalog: The Case of WorldCat Local

    ERIC Educational Resources Information Center

    Shadle, Steve

    2009-01-01

    In April 2007, the University of Washington Libraries debuted WorldCat Local (WCL), a localized version of the WorldCat database that interoperates with a library's integrated library system and fulfillment services to provide a single-search interface for a library's physical and electronic content. This brief will describe how WCL incorporates a…

  5. Interlibrary Service Requests for Locally and Electronically Available Items: Patterns of Use, Users, and Canceled Requests

    ERIC Educational Resources Information Center

    Page, Jessica R.; Kuehn, Jennifer

    2009-01-01

    As the use of the Ohio State University Libraries interlibrary services has increased, there have been more requests to borrow items that are already available to patrons locally, often in electronic format. Patterns relating to why patrons could not find locally available materials were identified in the record of canceled interlibrary requests…

  6. Interlibrary Service Requests for Locally and Electronically Available Items: Patterns of Use, Users, and Canceled Requests

    ERIC Educational Resources Information Center

    Page, Jessica R.; Kuehn, Jennifer

    2009-01-01

    As the use of the Ohio State University Libraries interlibrary services has increased, there have been more requests to borrow items that are already available to patrons locally, often in electronic format. Patterns relating to why patrons could not find locally available materials were identified in the record of canceled interlibrary requests…

  7. Quantum-classical simulation of electron localization in negatively charged methanol clusters.

    PubMed

    Mones, Letif; Rossky, Peter J; Turi, László

    2011-08-28

    A series of quantum molecular dynamics simulations have been performed to investigate the energetic, structural, dynamic, and spectroscopic properties of methanol cluster anions, [(CH(3)OH)(n)](-), (n = 50-500). Consistent with the inference from photo-electron imaging experiments, we find two main localization modes of the excess electron in equilibrated methanol clusters at ∼200 K. The two different localization patterns have strikingly different physical properties, consistent with experimental observations, and are manifest in comparable cluster sizes to those observed. Smaller clusters (n ≤ 128) tend to localize the electron in very weakly bound, diffuse electronic states on the surface of the cluster, while in larger ones the electron is stabilized in solvent cavities, in compact interior-bound states. The interior states exhibit properties that largely resemble and smoothly extrapolate to those simulated for a solvated electron in bulk methanol. The surface electronic states of methanol cluster anions are significantly more weakly bound than the surface states of the anionic water clusters. The key source of the difference is the lack of stabilizing free hydroxyl groups on a relaxed methanol cluster surface. We also provide a mechanistic picture that illustrates the essential role of the interactions of the excess electron with the hydroxyl groups in the dynamic process of the transition of the electron from surface-bound states to interior-bound states.

  8. Local spin torque induced by electron electric dipole moment in the YbF molecule

    SciTech Connect

    Fukuda, Masahiro; Senami, Masato; Ogiso, Yoji; Tachibana, Akitomo

    2014-10-06

    In this study, we show the modification of the equation of motion of the electronic spin, which is derived by the quantum electron spin vorticity principle, by the effect of the electron electric dipole moment (EDM). To investigate the new contribution to spin torque by EDM, using first principle calculations, we visualize distributions of the local spin angular momentum density and local spin torque density of the YbF molecule on which the static electric field and magnetic field are applied at t = 0.

  9. Electron localization in self-assembled Si quantum dots grown on Ge(111)

    NASA Astrophysics Data System (ADS)

    Stepina, N. P.; Zinovieva, A. F.; Zinovyev, V. A.; Deryabin, A. S.; Kulik, L. V.; Dvurechenskii, A. V.

    2015-12-01

    Electron localization in a Si/Ge heterosystem with Si quantum dots (QDs) was studied by transport and electron spin resonance (ESR) measurements. For Si QD structures grown on Ge(111) substrates, the ESR signal with a g-factor g=2.0022+/- 0.0001 and ESR line width {{Δ }}H≈ 1.2 Oe was observed and attributed to the electrons localized in QDs. The g-factor value was explained taking into account the energy band modification due to both strain and quantum confinement. The transport behavior confirms the efficient electron localization in QDs for a Si/Ge(111) system. A strong Ge-Si intermixing in QD structures grown on Ge(001) is assumed to be the main reason for an unobserved ESR signal from the QDs.

  10. 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.

  11. An efficient implementation of the localized operator partitioning method for electronic energy transfer

    NASA Astrophysics Data System (ADS)

    Nagesh, Jayashree; Izmaylov, Artur F.; Brumer, Paul

    2015-02-01

    The localized operator partitioning method [Y. Khan and P. Brumer, J. Chem. Phys. 137, 194112 (2012)] rigorously defines the electronic energy on any subsystem within a molecule and gives a precise meaning to the subsystem ground and excited electronic energies, which is crucial for investigating electronic energy transfer from first principles. However, an efficient implementation of this approach has been hindered by complicated one- and two-electron integrals arising in its formulation. Using a resolution of the identity in the definition of partitioning, we reformulate the method in a computationally efficient manner that involves standard one- and two-electron integrals. We apply the developed algorithm to the 9 - ((1 - naphthyl) - methyl) - anthracene (A1N) molecule by partitioning A1N into anthracenyl and CH2 - naphthyl groups as subsystems and examine their electronic energies and populations for several excited states using configuration interaction singles method. The implemented approach shows a wide variety of different behaviors amongst the excited electronic states.

  12. Localized conductive patterning via focused electron beam reduction of graphene oxide

    SciTech Connect

    Kim, Songkil; Henry, Mathias; Kulkarni, Dhaval D.; Zackowski, Paul; Jang, Seung Soon; Tsukruk, Vladimir V.; Fedorov, Andrei G.

    2015-03-30

    We report on a method for “direct-write” conductive patterning via reduction of graphene oxide (GO) sheets using focused electron beam induced deposition (FEBID) of carbon. FEBID treatment of the intrinsically dielectric graphene oxide between two metal terminals opens up the conduction channel, thus enabling a unique capability for nanoscale conductive domain patterning in GO. An increase in FEBID electron dose results in a significant increase of the domain electrical conductivity with improving linearity of drain-source current vs. voltage dependence, indicative of a change of graphene oxide electronic properties from insulating to semiconducting. Density functional theory calculations suggest a possible mechanism underlying this experimentally observed phenomenon, as localized reduction of graphene oxide layers via interactions with highly reactive intermediates of electron-beam-assisted dissociation of surface-adsorbed hydrocarbon molecules. These findings establish an unusual route for using FEBID as nanoscale lithography and patterning technique for engineering carbon-based nanomaterials and devices with locally tailored electronic properties.

  13. Communication: Near-locality of exchange and correlation density functionals for 1- and 2-electron systems.

    PubMed

    Sun, Jianwei; Perdew, John P; Yang, Zenghui; Peng, Haowei

    2016-05-21

    The uniform electron gas and the hydrogen atom play fundamental roles in condensed matter physics and quantum chemistry. The former has an infinite number of electrons uniformly distributed over the neutralizing positively charged background, and the latter only one electron bound to the proton. The uniform electron gas was used to derive the local spin density approximation to the exchange-correlation functional that undergirds the development of the Kohn-Sham density functional theory. We show here that the ground-state exchange-correlation energies of the hydrogen atom and many other 1- and 2-electron systems are modeled surprisingly well by a different local spin density approximation (LSDA0). LSDA0 is constructed to satisfy exact constraints but agrees surprisingly well with the exact results for a uniform two-electron density in a finite, curved three-dimensional space. We also apply LSDA0 to excited or noded 1-electron densities, where it works less well. Furthermore, we show that the localization of the exact exchange hole for a 1- or 2-electron ground state can be measured by the ratio of the exact exchange energy to its optimal lower bound.

  14. Local electric field direct writing – Electron-beam lithography and mechanism

    DOE PAGES

    Jiang, Nan; Su, Dong; Spence, John C. H.

    2017-08-24

    Local electric field induced by a focused electron probe in silicate glass thin films is evaluated in this paper by the migration of cations. Extremely strong local electric fields can be obtained by the focused electron probe from a scanning transmission electron microscope. As a result, collective atomic displacements occur. This newly revised mechanism provides an efficient tool to write patterned nanostructures directly, and thus overcome the low efficiency of the conventional electron-beam lithography. Applying this technique to silicate glass thin films, as an example, a grid of rods of nanometer dimension can be efficiently produced by rapidly scanning amore » focused electron probe. This nanopatterning is achieved through swift phase separation in the sample, without any post-development processes. The controlled phase separation is induced by massive displacements of cations (glass modifiers) within the glass-former network, driven by the strong local electric fields. The electric field is induced by accumulated charge within the electron probed region, which is generated by the excitation of atomic electrons by the incident electron. Throughput is much improved compared to other scanning probe techniques. Finally, the half-pitch spatial resolution of nanostructure in this particular specimen is 2.5 nm.« less

  15. Local treatment of electron excitations in the EOM-CCSD method

    NASA Astrophysics Data System (ADS)

    Korona, Tatiana; Werner, Hans-Joachim

    2003-02-01

    The Equation-of-Motion coupled cluster method restricted to single and double excitations (EOM-CCSD) and singlet excited states is formulated in a basis of nonorthogonal local orbitals. In the calculation of excited states only electron promotions from localized molecular orbitals into subspaces (excitation domains) of the local basis are allowed, which strongly reduces the number of EOM-CCSD amplitudes to be optimized. Furthermore, double excitations are neglected unless the excitation domains of the corresponding localized occupied orbitals are close to each other. Unlike in the local methods for the ground state, the excitation domains cannot be simply restricted to the atomic orbitals that are spatially close to the localized occupied orbitals. In the present paper the choice of the excitation domains is based on the analysis of wave functions computed by more approximate (and cheaper) methods like, e.g., configuration-interaction singles. The effect of various local approximations is investigated in detail, and it is found that a balanced description of the local configuration spaces describing the ground and excited states is essential to obtain accurate results. Using a single set of parameters for a given basis set, test calculations with the local EOM-CCSD method were performed for 14 molecules and 49 electronically excited states. The excitation energies computed by the local EOM-CCSD method reproduce the conventional EOM-CCSD excitation energies with an average error of 0.06 eV.

  16. 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

  17. 26 CFR 5f.103-2 - Public approval of industrial development bonds.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 26 Internal Revenue 14 2014-04-01 2013-04-01 true Public approval of industrial development bonds. 5f.103-2 Section 5f.103-2 Internal Revenue INTERNAL REVENUE SERVICE, DEPARTMENT OF THE TREASURY... years and to pay reasonable incidental costs of the refunding (e.g., legal and accounting fees,...

  18. Spin noise of localized electrons: Interplay of hopping and hyperfine interaction

    NASA Astrophysics Data System (ADS)

    Glazov, M. M.

    2015-05-01

    The theory of spin fluctuations is developed for an ensemble of localized electrons, taking into account both the hyperfine interaction of electron and nuclear spins and electron hopping between the sites. The analytical expression for the spin noise spectrum is derived for an arbitrary relation between the electron spin precession frequency in a field of nuclear fluctuations and the hopping rate. An increase in the hopping rate results in a drastic change in the spin noise spectrum. The effect of an external magnetic field is briefly addressed.

  19. Extensive electron transport and energization via multiple, localized dipolarizing flux bundles

    NASA Astrophysics Data System (ADS)

    Gabrielse, Christine; Angelopoulos, Vassilis; Harris, Camilla; Artemyev, Anton; Kepko, Larry; Runov, Andrei

    2017-05-01

    Using an analytical model of multiple dipolarizing flux bundles (DFBs) embedded in earthward traveling bursty bulk flows, we demonstrate how equatorially mirroring electrons can travel long distances and gain hundreds of keV from betatron acceleration. The model parameters are constrained by four Time History of Events and Macroscale Interactions during Substorms satellite observations, putting limits on the DFBs' speed, location, and magnetic and electric field magnitudes. We find that the sharp, localized peaks in magnetic field have such strong spatial gradients that energetic electrons ∇B drift in closed paths around the peaks as those peaks travel earthward. This is understood in terms of the third adiabatic invariant, which remains constant when the field changes on timescales longer than the electron's drift timescale: An energetic electron encircles a sharp peak in magnetic field in a closed path subtending an area of approximately constant flux. As the flux bundle magnetic field increases the electron's drift path area shrinks and the electron is prevented from escaping to the ambient plasma sheet, while it continues to gain energy via betatron acceleration. When the flux bundles arrive at and merge with the inner magnetosphere, where the background field is strong, the electrons suddenly gain access to previously closed drift paths around the Earth. DFBs are therefore instrumental in transporting and energizing energetic electrons over long distances along the magnetotail, bringing them to the inner magnetosphere and energizing them by hundreds of keV.Plain Language SummaryScientists have wondered how narrow flow channels in space could transport and energize <span class="hlt">electrons</span> enough before the <span class="hlt">electrons</span> escape the channel. They also wondered how narrow, <span class="hlt">localized</span> magnetic field peaks (and their electric fields) contribute to <span class="hlt">electron</span> energization in comparison to wide, large-scale electromagnetic fields. We show</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2014ChPhB..23f3403L','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2014ChPhB..23f3403L"><span>Assessment of delocalized and <span class="hlt">localized</span> molecular orbitals through <span class="hlt">electron</span> momentum spectroscopy</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Liu, Yuan; Cheung, Ling-Fung; Ning, Chuan-Gang</p> <p>2014-06-01</p> <p>Recently, there was a hot controversy about the concept of <span class="hlt">localized</span> orbitals, which was triggered by Grushow's work titled “Is it time to retire the hybrid atomic orbital?” [J. Chem. Educ. 88, 860 (2011)]. To clarify the issue, we assess the delocalized and <span class="hlt">localized</span> molecular orbitals from an experimental view using <span class="hlt">electron</span> momentum spectroscopy. The delocalized and <span class="hlt">localized</span> molecular orbitals based on various theoretical models for CH4, NH3, and H2O are compared with the experimental momentum distributions. Our results show that the delocalized molecular orbitals rather than the <span class="hlt">localized</span> ones can give a direct interpretation of the experimental (e, 2e) results.</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_8");'>8</a></li> <li><a href="#" onclick='return showDiv("page_9");'>9</a></li> <li class="active"><span>10</span></li> <li><a href="#" onclick='return showDiv("page_11");'>11</a></li> <li><a href="#" onclick='return showDiv("page_12");'>12</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_10 --> <div id="page_11" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_9");'>9</a></li> <li><a href="#" onclick='return showDiv("page_10");'>10</a></li> <li class="active"><span>11</span></li> <li><a href="#" onclick='return showDiv("page_12");'>12</a></li> <li><a href="#" onclick='return showDiv("page_13");'>13</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="201"> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016TDM.....3c1005L','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016TDM.....3c1005L"><span><span class="hlt">Localized</span> <span class="hlt">electronic</span> states at grain boundaries on the surface of graphene and graphite</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Luican-Mayer, Adina; Barrios-Vargas, Jose E.; Toft Falkenberg, Jesper; Autès, Gabriel; Cummings, Aron W.; Soriano, David; Li, Guohong; Brandbyge, Mads; Yazyev, Oleg V.; Roche, Stephan; Andrei, Eva Y.</p> <p>2016-09-01</p> <p>Recent advances in large-scale synthesis of graphene and other 2D materials have underscored the importance of <span class="hlt">local</span> defects such as dislocations and grain boundaries (GBs), and especially their tendency to alter the <span class="hlt">electronic</span> properties of the material. Understanding how the polycrystalline morphology affects the <span class="hlt">electronic</span> properties is crucial for the development of applications such as flexible <span class="hlt">electronics</span>, energy harvesting devices or sensors. We here report on atomic scale characterization of several GBs and on the structural-dependence of the <span class="hlt">localized</span> <span class="hlt">electronic</span> states in their vicinity. Using low temperature scanning tunneling microscopy and spectroscopy, together with tight binding and ab initio numerical simulations we explore GBs on the surface of graphite and elucidate the interconnection between the <span class="hlt">local</span> density of states and their atomic structure. We show that the <span class="hlt">electronic</span> fingerprints of these GBs consist of pronounced resonances which, depending on the relative orientation of the adjacent crystallites, appear either on the <span class="hlt">electron</span> side of the spectrum or as an <span class="hlt">electron</span>-hole symmetric doublet close to the charge neutrality point. These two types of spectral features will impact very differently the transport properties allowing, in the asymmetric case to introduce transport anisotropy which could be utilized to design novel growth and fabrication strategies to control device performance.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4678913','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4678913"><span>Interfacial valence <span class="hlt">electron</span> <span class="hlt">localization</span> and the corrosion resistance of Al-SiC nanocomposite</span></a></p> <p><a target="_blank" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Mosleh-Shirazi, Sareh; Hua, Guomin; Akhlaghi, Farshad; Yan, Xianguo; Li, Dongyang</p> <p>2015-01-01</p> <p>Microstructural inhomogeneity generally deteriorates the corrosion resistance of materials due to the galvanic effect and interfacial issues. However, the situation may change for nanostructured materials. This article reports our studies on the corrosion behavior of SiC nanoparticle-reinforced Al6061 matrix composite. It was observed that the corrosion resistance of Al6061 increased when SiC nanoparticles were added. Overall <span class="hlt">electron</span> work function (EWF) of the Al-SiC nanocomposite increased, along with an increase in the corrosion potential. The <span class="hlt">electron</span> <span class="hlt">localization</span> function of the Al-SiC nanocomposite was calculated and the results revealed that valence <span class="hlt">electrons</span> were <span class="hlt">localized</span> in the region of SiC-Al interface, resulting in an increase in the overall work function and thus building a higher barrier to hinder <span class="hlt">electrons</span> in the nano-composite to participate in corrosion reactions. PMID:26667968</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://www.osti.gov/scitech/servlets/purl/1107796','DOE-PATENT-XML'); return false;" href="http://www.osti.gov/scitech/servlets/purl/1107796"><span><span class="hlt">Local</span> intelligent <span class="hlt">electronic</span> device (IED) rendering templates over limited bandwidth communication link to manage remote IED</span></a></p> <p><a target="_blank" href="http://www.osti.gov/doepatents">DOEpatents</a></p> <p>Bradetich, Ryan; Dearien, Jason A; Grussling, Barry Jakob; Remaley, Gavin</p> <p>2013-11-05</p> <p>The present disclosure provides systems and methods for remote device management. According to various embodiments, a <span class="hlt">local</span> intelligent <span class="hlt">electronic</span> device (IED) may be in communication with a remote IED via a limited bandwidth communication link, such as a serial link. The limited bandwidth communication link may not support traditional remote management interfaces. According to one embodiment, a <span class="hlt">local</span> IED may present an operator with a management interface for a remote IED by rendering <span class="hlt">locally</span> stored templates. The <span class="hlt">local</span> IED may render the <span class="hlt">locally</span> stored templates using sparse data obtained from the remote IED. According to various embodiments, the management interface may be a web client interface and/or an HTML interface. The bandwidth required to present a remote management interface may be significantly reduced by rendering <span class="hlt">locally</span> stored templates rather than requesting an entire management interface from the remote IED. According to various embodiments, an IED may comprise an encryption transceiver.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/25314546','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/25314546"><span>Evidence of <span class="hlt">local</span> power deposition and <span class="hlt">electron</span> heating by a standing electromagnetic wave in <span class="hlt">electron</span>-cyclotron-resonance plasma.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Durocher-Jean, A; Stafford, L; Dap, S; Makasheva, K; Clergereaux, R</p> <p>2014-09-01</p> <p>Microwave plasmas excited at <span class="hlt">electron</span>-cyclotron resonance were studied in the 0.5-15 mTorr pressure range. In contrast with low-limit pressure conditions where the plasma emission highlights a fairly homogeneous spatial structure, a periodic spatial modulation (period ∼6.2 cm) appeared as pressure increased. This feature is ascribed to a <span class="hlt">local</span> power deposition (related to the <span class="hlt">electron</span> density) due to the presence of a standing electromagnetic wave created by the feed electromagnetic field (2.45 GHz) in the cavity formed by the reactor walls. Analysis of the <span class="hlt">electron</span> energy probability function by Langmuir probe and optical emission spectroscopy further revealed the presence of a high-energy tail that showed strong periodic spatial modulation at higher pressure. The spatial evolution of the <span class="hlt">electron</span> density and of the characteristic temperature of these high-energy <span class="hlt">electrons</span> coincides with the nodes (maximum) and antinodes (minimum) of the standing wave. These spatially-modulated power deposition and <span class="hlt">electron</span> heating mechanisms are then discussed.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2015AGUFMSM22A..08G','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2015AGUFMSM22A..08G"><span>The Role of <span class="hlt">Localized</span> Inductive Electric Fields in <span class="hlt">Electron</span> Injections Around Dipolarizing Flux Bundles</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Gabrielse, C.; Harris, C.; Angelopoulos, V.; Runov, A.</p> <p>2015-12-01</p> <p>We study energetic <span class="hlt">electron</span> injections using an analytical model that describes self-consistent electric and magnetic field perturbations of a transient, <span class="hlt">localized</span> dipolarizing flux bundle (DFB). This simple model can reproduce most injection signatures at multiple locations simultaneously, reaffirming earlier findings that an earthward-traveling DFB can both transport and accelerate <span class="hlt">electrons</span> to suprathermal energies, and can thus be considered as the primary driver of short-lived (~<10 min) injections. We find that energetic <span class="hlt">electron</span> drift paths are greatly influenced by the sharp magnetic field gradients around the <span class="hlt">localized</span> DFB. If the gradients are weak the energetic <span class="hlt">electrons</span> initiating at reconnection will drift out of the flow channel such that the observed injection is comprised mostly of plasma sheet <span class="hlt">electrons</span>. However, if the duskward magnetic field gradients on the DFB's dawn flank are strong they can cause <span class="hlt">electrons</span> to drift further earthward from the reconnection site than due to E x B alone. Similarly, strong dawnward magnetic field gradients on the DFB's dusk flank can extract energetic <span class="hlt">electrons</span> from the inner magnetosphere out to the plasma sheet, where they can either be recirculated earthward or remain at higher L-shells. Therefore, the source of <span class="hlt">electrons</span> observed during injection depends sensitively on the spacecraft location relative to the DFB and on the DFB's properties.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017PhRvB..95n0401G','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017PhRvB..95n0401G"><span>Concomitant antiferromagnetic transition and disorder-induced weak <span class="hlt">localization</span> in an interacting <span class="hlt">electron</span> system</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Ghosh, Tanmoy; Fukuda, Takashi; Kakeshita, Tomoyuki; Kaul, S. N.; Mukhopadhyay, P. K.</p> <p>2017-04-01</p> <p>In this Rapid Communication we report a phenomenon in a disordered interacting <span class="hlt">electron</span> system. The measurements of structural, magnetic, and transport properties of FeA l2 -xG ax (0 ≤x ≤0.5 ) show that antiferromagnetic transition in these intermetallic compounds occurs concomitantly with a disorder-induced weak <span class="hlt">localization</span> of <span class="hlt">electrons</span>; the temperatures TN and Tm, at which antiferromagnetic transition and the weak <span class="hlt">localization</span> respectively occur, closely track each other as the Ga concentration is varied. The antiferromagnetic transition is confirmed from the magnetic and specific heat measurements, and the occurrence of weak <span class="hlt">localization</span> is confirmed from the temperature variation of resistivity and magnetoresistance measurements. With increasing Ga concentration, substitutional disorder in the system increases, and the consequent disorder-enhanced magnetic exchange interaction and disorder-induced fluctuations simultaneously drive antiferromagnetic transition and weak <span class="hlt">localization</span>, respectively, to higher temperatures.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/22274220','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/22274220"><span>Wavelength dependence of <span class="hlt">electron</span> <span class="hlt">localization</span> in the laser-driven dissociation of H2(+).</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Liu, Kunlong; Hong, Weiyi; Zhang, Qingbin; Lu, Peixiang</p> <p>2011-12-19</p> <p>We theoretically investigate the laser wavelength dependence of asymmetric dissociation of H2(+). It is found that the <span class="hlt">electron</span> <span class="hlt">localization</span> in molecular dissociation is significantly manipulated by varying the wavelength of the driving field. Through creating a strong nuclear vibration in the laser-molecular interaction, our simulations demonstrate that the few-cycle mid-infrared pulse can effectively <span class="hlt">localize</span> the <span class="hlt">electron</span> at one of the dissociating nuclei with weak ionization. Moreover, we show that the observed phase-shift of the dissociation asymmetry is attributed to the different population transfers by the remaining fields after the internuclear distances reach the one-photon coupling point.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2015ChPhB..24d3302Z','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2015ChPhB..24d3302Z"><span>Investigation of <span class="hlt">electron</span> <span class="hlt">localization</span> in harmonic emission from asymmetric molecular ion</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Zhang, Cai-Ping; Miao, Xiang-Yang</p> <p>2015-04-01</p> <p>We theoretically investigate the <span class="hlt">electron</span> <span class="hlt">localization</span> around two nuclei in harmonic emission from asymmetric molecular ion. The results show that the ionization process of <span class="hlt">electron</span> <span class="hlt">localized</span> around one nucleus competes with its transfer process to the other nucleus. By increasing the initial vibrational level, more <span class="hlt">electrons</span> <span class="hlt">localized</span> around the nucleus D+ tend to transfer to the nucleus He2+ so that the ionizations of <span class="hlt">electrons</span> <span class="hlt">localized</span> around the nucleus He2+ increase. In this case, the difference in harmonic efficiency between HeH2+ and HeD2+ decreases while the difference in harmonic spectral structure increases. The evident minimum can be observed in the harmonic spectrum of HeH2+ compared with that in the spectral structure of HeD2+, which is due to the strong interference of multiple recombination channels originating from two nuclei. Time-dependent nuclear probability density, <span class="hlt">electron</span>-nuclear probability density, double-well model, and time-frequency maps are presented to explain the underlying mechanisms. Project supported by the National Natural Science Foundation of China (Grant No. 11404204), the Key Project of Chinese Ministry of Education (Grant No. 211025), the Research Fund for the Doctoral Program of Higher Education of China (Grant No. 20111404120004), the Natural Science Foundation for Young Scientists of Shanxi Province, China (Grant No. 2009021005), and the Innovation Project for Postgraduates of Shanxi Province, China (Grant No. 20133081).</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2011fsn..book...67K','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2011fsn..book...67K"><span>Crossed Andreev Reflection and Spin-Resolved Non-<span class="hlt">local</span> <span class="hlt">Electron</span> Transport</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Kalenkov, Mikhail S.; Zaikin, Andrei D.</p> <p></p> <p>The phenomenon of crossed Andreev reflection (CAR) is known to play a key role in non-<span class="hlt">local</span> <span class="hlt">electron</span> transport across three-terminal normal-superconducting-normal (NSN) devices. Here, we review our general theory of non-<span class="hlt">local</span> charge transport in three-terminal disordered ferromagnet-superconductor-ferromagnet (FSF) structures. We demonstrate that CAR is highly sensitive to <span class="hlt">electron</span> spins and yields a rich variety of properties of non-<span class="hlt">local</span> conductance, which we describe non-perturbatively at arbitrary voltages, temperature, degree of disorder, spin-dependent interface transmissions and their polarizations. We demonstrate that magnetic effects have different implications: While strong exchange field suppresses disorder-induced <span class="hlt">electron</span> interference in ferromagnetic electrodes, spin-sensitive <span class="hlt">electron</span> scattering at SF interfaces can drive the total non-<span class="hlt">local</span> conductance negative at sufficiently low energies. At higher energies, magnetic effects become less important and the non-<span class="hlt">local</span> resistance behaves similarly to the non-magnetic case. Our results can be applied to multi-terminal hybrid structures with normal, ferromagnetic and half-metallic electrodes and can be directly tested in future experiments.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/23831940','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/23831940"><span>Method for <span class="hlt">local</span> temperature measurement in a nanoreactor for in situ high-resolution <span class="hlt">electron</span> microscopy.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Vendelbo, S B; Kooyman, P J; Creemer, J F; Morana, B; Mele, L; Dona, P; Nelissen, B J; Helveg, S</p> <p>2013-10-01</p> <p>In situ high-resolution transmission <span class="hlt">electron</span> microscopy (TEM) of solids under reactive gas conditions can be facilitated by microelectromechanical system devices called nanoreactors. These nanoreactors are windowed cells containing nanoliter volumes of gas at ambient pressures and elevated temperatures. However, due to the high spatial confinement of the reaction environment, traditional methods for measuring process parameters, such as the <span class="hlt">local</span> temperature, are difficult to apply. To address this issue, we devise an <span class="hlt">electron</span> energy loss spectroscopy (EELS) method that probes the <span class="hlt">local</span> temperature of the reaction volume under inspection by the <span class="hlt">electron</span> beam. The <span class="hlt">local</span> gas density, as measured using quantitative EELS, is combined with the inherent relation between gas density and temperature, as described by the ideal gas law, to obtain the <span class="hlt">local</span> temperature. Using this method we determined the temperature gradient in a nanoreactor in situ, while the average, global temperature was monitored by a traditional measurement of the electrical resistivity of the heater. The <span class="hlt">local</span> gas temperatures had a maximum of 56 °C deviation from the global heater values under the applied conditions. The <span class="hlt">local</span> temperatures, obtained with the proposed method, are in good agreement with predictions from an analytical model. Copyright © 2013 Elsevier B.V. All rights reserved.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017PhRvP...7f4011P','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017PhRvP...7f4011P"><span><span class="hlt">Localization</span> of <span class="hlt">Electronic</span> States in III-V Semiconductor Alloys: A Comparative Study</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Pashartis, C.; Rubel, O.</p> <p>2017-06-01</p> <p><span class="hlt">Electronic</span> properties of III-V semiconductor alloys are examined using first principles, with the focus on the spatial <span class="hlt">localization</span> of <span class="hlt">electronic</span> states. We compare <span class="hlt">localization</span> at the band edges due to various isovalent impurities in a host GaAs, including its impact on the photoluminescence linewidths and carrier mobilities. The extremity of <span class="hlt">localization</span> at the band edges is correlated with the ability of individual elements to change the band gap and the relative band alignment. Additionally, the formation energies of substitutional defects are calculated and linked to challenges associated with the growth and formability of alloys. A spectrally resolved inverse participation ratio is used to map <span class="hlt">localization</span> in prospective GaAs-based materials alloyed with B, N, In, Sb, and Bi for 1.55 -μ m -wavelength telecommunication lasers. This analysis is complemented by a band unfolding of the <span class="hlt">electronic</span> structure and a discussion of the implications of <span class="hlt">localization</span> on the optical gain and Auger losses. Correspondence with experimental data on the broadening of the photoluminescence spectrum and charge-carrier mobilities show that the <span class="hlt">localization</span> characteristics can serve as a guideline for the engineering of semiconductor alloys.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016JGRA..121.9560G','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016JGRA..121.9560G"><span>The role of <span class="hlt">localized</span> inductive electric fields in <span class="hlt">electron</span> injections around dipolarizing flux bundles</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Gabrielse, Christine; Harris, Camilla; Angelopoulos, Vassilis; Artemyev, Anton; Runov, Andrei</p> <p>2016-10-01</p> <p>We study energetic <span class="hlt">electron</span> injections by using an analytical model that self-consistently describes electric and magnetic field perturbations of a transient, <span class="hlt">localized</span> dipolarizing flux bundle (DFB). This simple model reproduces most injection signatures at multiple locations simultaneously, reaffirming earlier findings that an earthward-traveling DFB can both transport and accelerate <span class="hlt">electrons</span> to suprathermal energies, and can thus be considered an important driver of short-lived ( < 10 min) injections. We find that energetic <span class="hlt">electron</span> drift paths are greatly influenced by the sharp magnetic field gradients around a <span class="hlt">localized</span> DFB. Because a DFB is so <span class="hlt">localized</span> (only a few RE wide across the tail), there are strong duskward magnetic field gradients on the DFB's dawn flank and strong dawnward magnetic field gradients on its dusk flank. <span class="hlt">Electrons</span> on the DFB's dawnside therefore ∇B drift farther earthward from the reconnection site, whereas <span class="hlt">electrons</span> on its duskside can potentially evacuate the inner magnetosphere by ∇B drifting tailward. This results in flux decrease at the front's duskside. As a result, the source of <span class="hlt">electrons</span> observed during injection depends sensitively on the spacecraft location relative to the DFB and on the DFB's properties. We similarly find that the process of <span class="hlt">electron</span> energization depends on how the <span class="hlt">electrons</span> interact with the DFB. The initial injection signature is from <span class="hlt">electrons</span> that interact with the front and gain the majority of their energy from the increasing magnetic field (∂B/∂t), whereas populations that arrive later gain most of their energy from ∇B drifting across the flow channel and against the DFB's electric fields.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.osti.gov/scitech/biblio/5182128','SCIGOV-STC'); return false;" href="https://www.osti.gov/scitech/biblio/5182128"><span>Quasi-relativistic SCF X. cap alpha. study of octahedral <span class="hlt">5</span><span class="hlt">f</span>/sup 1/ complexes</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Thornton, G.; Roesch, N.; Edelstein, N.</p> <p>1980-05-01</p> <p>Quasi-relativistic SCF X..cap alpha.. calculations have been carried out for the octahedral <span class="hlt">5</span><span class="hlt">f</span>/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 <span class="hlt">5</span><span class="hlt">f</span> ..-->.. <span class="hlt">5</span><span class="hlt">f</span> 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.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/22400772','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/22400772"><span>Size of the <span class="hlt">localized</span> <span class="hlt">electron</span> emission sites on a closed multiwalled carbon nanotube.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Heeres, Erwin C; Oosterkamp, Tjerk H; de Jonge, Niels</p> <p>2012-01-20</p> <p>We have measured the size of the <span class="hlt">localized</span> <span class="hlt">electron</span> emission sites on multiwalled carbon nanotubes (MWNTs) with caps closed by a fullerenelike structure. MWNTs were individually mounted on tungsten support tips and imaged with a field emission microscope (FEM). The magnification of the FEM was calibrated using <span class="hlt">electron</span> ray tracing and verified by comparing transmission <span class="hlt">electron</span> microscope images. The FEM image was also tested for effects of the lateral energy spread. We found ring-shaped emission areas with three flattened sides, of a radius of 1.7±0.3 nm, and separated by 5±1 nm. © 2012 American Physical Society</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016JChPh.144g4106M','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016JChPh.144g4106M"><span>Validation of <span class="hlt">local</span> hybrid functionals for TDDFT calculations of <span class="hlt">electronic</span> excitation energies</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Maier, Toni M.; Bahmann, Hilke; Arbuznikov, Alexei V.; Kaupp, Martin</p> <p>2016-02-01</p> <p>The first systematic evaluation of <span class="hlt">local</span> hybrid functionals for the calculation of <span class="hlt">electronic</span> excitation energies within linear-response time-dependent density functional theory (TDDFT) is reported. Using our recent efficient semi-numerical TDDFT implementation [T. M. Maier et al., J. Chem. Theory Comput. 11, 4226 (2015)], four simple, thermochemically optimized one-parameter <span class="hlt">local</span> hybrid functionals based on <span class="hlt">local</span> spin-density exchange are evaluated against a database of singlet and triplet valence excitations of organic molecules, and against a mixed database including also Rydberg, intramolecular charge-transfer (CT) and core excitations. The four <span class="hlt">local</span> hybrids exhibit comparable performance to standard global or range-separated hybrid functionals for common singlet valence excitations, but several <span class="hlt">local</span> hybrids outperform all other functionals tested for the triplet excitations of the first test set, as well as for relative energies of excited states. Evaluation for the combined second test set shows that <span class="hlt">local</span> hybrids can also provide excellent Rydberg and core excitations, in the latter case rivaling specialized functionals optimized specifically for such excitations. This good performance of <span class="hlt">local</span> hybrids for different excitation types could be traced to relatively large exact-exchange (EXX) admixtures in a spatial region intermediate between valence and asymptotics, as well as close to the nucleus, and lower EXX admixtures in the valence region. In contrast, the tested <span class="hlt">local</span> hybrids cannot compete with the best range-separated hybrids for intra- and intermolecular CT excitation energies. Possible directions for improvement in the latter category are discussed. As the used efficient TDDFT implementation requires essentially the same computational effort for global and <span class="hlt">local</span> hybrids, applications of <span class="hlt">local</span> hybrid functionals to excited-state problems appear promising in a wide range of fields. Influences of current-density dependence of <span class="hlt">local</span> kinetic</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016APS..GECHT6067Y','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016APS..GECHT6067Y"><span>Generation of off-axially <span class="hlt">localized</span> tail <span class="hlt">electrons</span> in helical antenna produce cylindrical plasma</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Yadav, Sonu; Ghosh, Soumen; Bose, Sayak; Chattopadhyay, P. K.; Ghosh, J.; Bora, D.</p> <p>2016-09-01</p> <p>Off-axially <span class="hlt">localized</span> tail <span class="hlt">electrons</span> are observed in helical antenna produce cylindrical radio frequency (RF) plasma. Although, tail <span class="hlt">electrons</span> are commonly observed in capacitive and inductive plasmas, <span class="hlt">localization</span> of their population only at the off-axis of a cylindrical RF system is very unique. Moreover, we are reporting the generation of tail <span class="hlt">electrons</span> even in absence of double layer in expanding helical antenna produce plasma. It is also shown that the confinements of these tail <span class="hlt">electrons</span> are restricted only at the off-axis at Argon fill pressure bellow 1x10-3mbar. Experimental results will be presented to show that the tail <span class="hlt">electrons</span> which generate off-axially in the source chamber are also found at the expansion chamber. External axial diverging magnetic field lines are bringing them from narrow source to large expansion chamber. To understand the underline mechanism of these tail <span class="hlt">electrons</span> generation, role of (a) RF electric fields via changing RF source power and (b) their off-axial confinement with rising magnetic fields are discussed. Quantitative discussion on self-consistent model for collisionless RF power coupling with edge <span class="hlt">electrons</span> will also be presented.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.osti.gov/scitech/biblio/21518213','SCIGOV-STC'); return false;" href="https://www.osti.gov/scitech/biblio/21518213"><span>Quantification of nanoscale density fluctuations using <span class="hlt">electron</span> microscopy: Light-<span class="hlt">localization</span> properties of biological cells</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Pradhan, Prabhakar; Damania, Dhwanil; Turzhitsky, Vladimir; Subramanian, Hariharan; Backman, Vadim; Joshi, Hrushikesh M.; Dravid, Vinayak P.; Roy, Hemant K.; Taflove, Allen</p> <p>2010-12-13</p> <p>We report a study of the nanoscale mass-density fluctuations of heterogeneous optical dielectric media, including nanomaterials and biological cells, by quantifying their nanoscale light-<span class="hlt">localization</span> properties. Transmission <span class="hlt">electron</span> microscope images of the media are used to construct corresponding effective disordered optical lattices. Light-<span class="hlt">localization</span> properties are studied by the statistical analysis of the inverse participation ratio (IPR) of the <span class="hlt">localized</span> eigenfunctions of these optical lattices at the nanoscale. We validated IPR analysis using nanomaterials as models of disordered systems fabricated from dielectric nanoparticles. As an example, we then applied such analysis to distinguish between cells with different degrees of aggressive malignancy.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016JAP...120p4310N','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016JAP...120p4310N"><span><span class="hlt">Electron</span> <span class="hlt">localization</span> due to side-attached molecules on graphene nanoribbons</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Nunez, C. D.; Orellana, P. A.; Rosales, L.</p> <p>2016-10-01</p> <p>In this work, we have studied the <span class="hlt">electron</span> <span class="hlt">localization</span> due to a random distribution of side-attached linear organic molecules on graphene nanoribbons. By using the Green's function formalism within a tight binding Hamiltonian approximation and considering an Anderson-like disorder, we have calculated the conductance of the systems and the corresponding <span class="hlt">localization</span> lengths. Our results show that the <span class="hlt">localization</span> length strongly depends on the molecular concentration and on the length of the molecules, effects that are robust for different ribbon widths. These results suggest possible applications in molecular detectors or sensors based on graphene nanoribbons.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.osti.gov/scitech/biblio/22408040','SCIGOV-STC'); return false;" href="https://www.osti.gov/scitech/biblio/22408040"><span>Evidence of <span class="hlt">locally</span> enhanced target heating due to instabilities of counter-streaming fast <span class="hlt">electron</span> beams</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Koester, Petra; Cecchetti, Carlo A.; Booth, Nicola; Woolsey, Nigel; Chen, Hui; Evans, Roger G.; Gregori, Gianluca; Li, Bin; Mithen, James; Murphy, Christopher D.; Labate, Luca; Gizzi, Leonida A.; Levato, Tadzio; Makita, Mikako; Riley, David; Notley, Margaret; Pattathil, Rajeev</p> <p>2015-02-15</p> <p>The high-current fast <span class="hlt">electron</span> beams generated in high-intensity laser-solid interactions require the onset of a balancing return current in order to propagate in the target material. Such a system of counter-streaming <span class="hlt">electron</span> currents is unstable to a variety of instabilities such as the current-filamentation instability and the two-stream instability. An experimental study aimed at investigating the role of instabilities in a system of symmetrical counter-propagating fast <span class="hlt">electron</span> beams is presented here for the first time. The fast <span class="hlt">electron</span> beams are generated by double-sided laser-irradiation of a layered target foil at laser intensities above 10{sup 19 }W/cm{sup 2}. High-resolution X-ray spectroscopy of the emission from the central Ti layer shows that <span class="hlt">locally</span> enhanced energy deposition is indeed achieved in the case of counter-propagating fast <span class="hlt">electron</span> beams.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2015PhPl...22b0701K','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2015PhPl...22b0701K"><span>Evidence of <span class="hlt">locally</span> enhanced target heating due to instabilities of counter-streaming fast <span class="hlt">electron</span> beams</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Koester, Petra; Booth, Nicola; Cecchetti, Carlo A.; Chen, Hui; Evans, Roger G.; Gregori, Gianluca; Labate, Luca; Levato, Tadzio; Li, Bin; Makita, Mikako; Mithen, James; Murphy, Christopher D.; Notley, Margaret; Pattathil, Rajeev; Riley, David; Woolsey, Nigel; Gizzi, Leonida A.</p> <p>2015-02-01</p> <p>The high-current fast <span class="hlt">electron</span> beams generated in high-intensity laser-solid interactions require the onset of a balancing return current in order to propagate in the target material. Such a system of counter-streaming <span class="hlt">electron</span> currents is unstable to a variety of instabilities such as the current-filamentation instability and the two-stream instability. An experimental study aimed at investigating the role of instabilities in a system of symmetrical counter-propagating fast <span class="hlt">electron</span> beams is presented here for the first time. The fast <span class="hlt">electron</span> beams are generated by double-sided laser-irradiation of a layered target foil at laser intensities above 1019 W/cm2. High-resolution X-ray spectroscopy of the emission from the central Ti layer shows that <span class="hlt">locally</span> enhanced energy deposition is indeed achieved in the case of counter-propagating fast <span class="hlt">electron</span> beams.</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_9");'>9</a></li> <li><a href="#" onclick='return showDiv("page_10");'>10</a></li> <li class="active"><span>11</span></li> <li><a href="#" onclick='return showDiv("page_12");'>12</a></li> <li><a href="#" onclick='return showDiv("page_13");'>13</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_11 --> <div id="page_12" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_10");'>10</a></li> <li><a href="#" onclick='return showDiv("page_11");'>11</a></li> <li class="active"><span>12</span></li> <li><a href="#" onclick='return showDiv("page_13");'>13</a></li> <li><a href="#" onclick='return showDiv("page_14");'>14</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="221"> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016JPhB...49u5604J','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016JPhB...49u5604J"><span>The direction of the <span class="hlt">electron</span> motion of H2 + in the dissociation <span class="hlt">localization</span></span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Jia, Z. M.; Zeng, Z. N.; Li, R. X.; Xu, Z. Z.</p> <p>2016-11-01</p> <p>A terahertz laser pulse is used to steer the <span class="hlt">electron</span> motion after {{{{H}}}2}+ is irradiated by an ultrashort ultraviolet laser pulse. The numerical simulation demonstrates that the ionized <span class="hlt">electron</span> is pulled out along the polarization direction of the electric field, in contrast, the <span class="hlt">electrons</span> in the dissociative state move in the opposite direction to that of the electric force. Referring to the coupled dynamic equations for the 1s{σ }g and 2p{σ }u states and the analytical solution of the <span class="hlt">electron</span> <span class="hlt">localization</span> of the two lowest states of a double-well Coulomb potential model in an external static electric field, one can easily disclose the underlying mechanism for such an <span class="hlt">electron</span> motion steering.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2008AGUFMSM31B1735N','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2008AGUFMSM31B1735N"><span>Perpendicular <span class="hlt">Localization</span> of <span class="hlt">Electron</span> Holes by Spatially Inhomogeneous Flows During Magnetic Reconnection*</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Newman, D. L.; Goldman, M. V.</p> <p>2008-12-01</p> <p>Bipolar fields signaling the presence of <span class="hlt">electron</span> phase space holes have been observed in situ by satellites near regions of magnetic reconnection in Earth's magnetopause and magnetotail. In order to identify possible origins for such holes, a recent numerical study [1] employed 1D and 2D electrostatic Vlasov simulations initialized with <span class="hlt">electron</span> and ion distributions taken from 2D electromagnetic Particle in Cell (PIC) simulations of magnetic reconnection. Both <span class="hlt">electron-electron</span> instabilities along the X-line and <span class="hlt">electron</span>-ion (i.e., Buneman) instabilities along the separatrix were found to be viable sources of <span class="hlt">electron</span> holes. However, long-lived coherent Buneman-driven holes only formed when the destabilizing current was restricted to a narrow channel perpendicular to the <span class="hlt">local</span> magnetic field vector B. In this presentation we extend the 2D Vlasov study of <span class="hlt">electron</span> holes driven by unstable distributions to include both e-e and e-i instabilities <span class="hlt">localized</span> in the direction perpendicular to B. Emphasis will be placed on how the ion/<span class="hlt">electron</span> mass and temperature ratios (mi/me and Ti/Te) and the magnetization ratios (Ωe/ωe and Ωi/ωi) influence the properties of the resulting <span class="hlt">electron</span> holes, including their spatial size and aspect ratio. Distributions from recent implicit PIC reconnection simulations [2] will be used to guide the initialization of the Vlasov simulations. *Research supported by NASA, NSF, and DOE. [1] M. V. Goldman, D. L. Newman, and P. L. Pritchett, "Vlasov Simulations of <span class="hlt">Electron</span> Holes Driven by Particle Distributions from PIC Reconnection Simulations with a Guide Field," submitted to Geophys.~Res.~Lett. (2008). [2] A. Divin, G. Lapenta, D. L. Newman and M. V. Goldman, "Implicit PIC Simulations of Guide Field Magnetic Reconnection," this meeting.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2012APS..MARQ49002N','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2012APS..MARQ49002N"><span>Effect of structural distortion and polarization in <span class="hlt">localization</span> of <span class="hlt">electronic</span> excitations in organic semiconductor materials</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Nayyar, Iffat; Batista, Enrique; Tretiak, Sergei; Saxena, Avadh; Smith, Darryl; Martin, Richard</p> <p>2012-02-01</p> <p>Organic polymers find varied applications in optoelectronic devices such as solar cells, light emitting diodes and lasers. Detailed understanding of charge carrier transport by polarons and excitonic energy transfer producing singlet and triplet excitations is critical to improve their efficiency. We benchmarked the ability of current functional models to describe the spatial extent of self-trapped neutral and charged excitations for MEH-PPV owing to its superior luminescence and experimental evidence. Now we are interested in distinguishing between two distinct origins leading to <span class="hlt">localization</span>; spatial <span class="hlt">localization</span> of the wavefunction by itself on the undistorted geometry and <span class="hlt">localization</span> of the wavefunction assured by distortion of the structure during its relaxation. We suggest <span class="hlt">localization</span> is produced by <span class="hlt">electronic</span> rearrangements and character of the functional. We also observe that different functionals place the highest occupied and lowest virtual orbitals at different positions in the energy band diagram based on their ability to predict the extent of <span class="hlt">localization</span> of these states.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://eric.ed.gov/?q=Government+AND+electronic&pg=3&id=EJ774328','ERIC'); return false;" href="http://eric.ed.gov/?q=Government+AND+electronic&pg=3&id=EJ774328"><span>Sustainable Development and African <span class="hlt">Local</span> Government: Can <span class="hlt">Electronic</span> Training Help Build Capacities?</span></a></p> <p><a target="_blank" href="http://www.eric.ed.gov/ERICWebPortal/search/extended.jsp?_pageLabel=advanced">ERIC Educational Resources Information Center</a></p> <p>Johnson, Hazel; Thomas, Alan</p> <p>2007-01-01</p> <p>A recent study carried out by European and African organizations into the potential for <span class="hlt">electronic</span> distance training (EDT) on sustainability in African <span class="hlt">local</span> governments concluded that EDT was both "useful and feasible". This article reflects on some of the theoretical and practical implications of that study. It focuses on the…</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/21483973','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/21483973"><span>A semi-classical model of attosecond <span class="hlt">electron</span> <span class="hlt">localization</span> in dissociative ionization of hydrogen.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Kelkensberg, Freek; Sansone, Giuseppe; Ivanov, Misha Y; Vrakking, Marc</p> <p>2011-05-21</p> <p>In the development of attosecond molecular science, a series of experiments have recently been performed where ionic fragment asymmetries in the dissociative ionization of H(2) into H(+) + H and that of D(2) into D(+) + D were used to uncover <span class="hlt">electron</span> <span class="hlt">localization</span> processes that occur on the attosecond and few-femtosecond timescale. <span class="hlt">Electron</span> <span class="hlt">localization</span> was observed both in strong-field dissociative ionization using carrier envelope phase-stable few-cycle laser pulses [Kling et al., Science, 2006, 312, 246] and in a two-color extreme ultra-violet + infrared attosecond pump-probe experiment [Sansone et al., Nature, 2010, 465, 763]. Here we show that the observed <span class="hlt">electron</span> <span class="hlt">localization</span> can be well understood using a semi-classical model that describes the dynamics in terms of quasi-static states that take the interaction of the molecule with the laser field instantaneously into account. The <span class="hlt">electron</span> <span class="hlt">localization</span> is shown to be determined by the passage of the dissociating molecule through a regime where the laser-molecule interaction is neither diabatic nor adiabatic.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://hdl.handle.net/2060/19790019938','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/19790019938"><span>A theory of <span class="hlt">local</span> and global processes which affect solar wind <span class="hlt">electrons</span>. 2: Experimental support</span></a></p> <p><a target="_blank" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Scudder, J. D.; Olbert, S.</p> <p>1979-01-01</p> <p>The microscopic characteristics of the Coulomb cross section show that there are three natural subpopulations for plasma <span class="hlt">electrons</span>: the subthermals with <span class="hlt">local</span> kinetic energy E kT sub c; the transthermals with kT sub c E 7 kT sub c and the extrathermals E 7 kT sub c. Data from three experimental groups on three different spacecraft in the interplanetary medium over a radial range are presented to support the five interrelations projected between solar wind <span class="hlt">electron</span> properties and changes in the interplanetary medium: (1) subthermals respond primarily to <span class="hlt">local</span> changes (compression and rarefactions) in stream dynamics; (2) the extrathermal fraction of the ambient <span class="hlt">electron</span> density should be anti-correlated with the asymptotic bulk speed; (3) the extrathermal "temperature" should be anti-correlated with the <span class="hlt">local</span> wind speed at 1 AU; (4) the heat flux carried by <span class="hlt">electrons</span> should be anti-correlated with the <span class="hlt">local</span> bulk speed; and (5) the extrathermal differential 'temperature' should be nearly independent of radius within 1 AU.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://hdl.handle.net/2060/19820005288','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/19820005288"><span>Launch mission summary: Intelsat <span class="hlt">5</span> (<span class="hlt">F</span>3) Atlas/Centaur-55</span></a></p> <p><a target="_blank" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p></p> <p>1981-01-01</p> <p>Intelsat <span class="hlt">5</span> (<span class="hlt">F</span>3) 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.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/17797442','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/17797442"><span>Superconductivity of alpha-uranium and the role of <span class="hlt">5</span><span class="hlt">f</span> <span class="hlt">electrons</span>.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Geballe, T H; Matthias, B T; Andres, K; Fisher, E S; Smith, T F; Zachariasen, W H</p> <p>1966-05-06</p> <p>A much sharper and lower superconducting transition has been found for alpha-uranium than any reported previously. A model that explains the unusual volume dependence of alpha-uranium below 43 degrees K and the unusual pressure dependence of its superconducting transition temperature is presented.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5187589','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5187589"><span>Ultrafast <span class="hlt">electronic</span> response of graphene to a strong and <span class="hlt">localized</span> electric field</span></a></p> <p><a target="_blank" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Gruber, Elisabeth; Wilhelm, Richard A.; Pétuya, Rémi; Smejkal, Valerie; Kozubek, Roland; Hierzenberger, Anke; Bayer, Bernhard C.; Aldazabal, Iñigo; Kazansky, Andrey K.; Libisch, Florian; Krasheninnikov, Arkady V.; Schleberger, Marika; Facsko, Stefan; Borisov, Andrei G.; Arnau, Andrés; Aumayr, Friedrich</p> <p>2016-01-01</p> <p>The way conduction <span class="hlt">electrons</span> respond to ultrafast external perturbations in low dimensional materials is at the core of the design of future devices for (opto)<span class="hlt">electronics</span>, photodetection and spintronics. Highly charged ions provide a tool for probing the <span class="hlt">electronic</span> response of solids to extremely strong electric fields <span class="hlt">localized</span> down to nanometre-sized areas. With ion transmission times in the order of femtoseconds, we can directly probe the <span class="hlt">local</span> <span class="hlt">electronic</span> dynamics of an ultrathin foil on this timescale. Here we report on the ability of freestanding single layer graphene to provide tens of <span class="hlt">electrons</span> for charge neutralization of a slow highly charged ion within a few femtoseconds. With values higher than 1012 A cm−2, the resulting <span class="hlt">local</span> current density in graphene exceeds previously measured breakdown currents by three orders of magnitude. Surprisingly, the passing ion does not tear nanometre-sized holes into the single layer graphene. We use time-dependent density functional theory to gain insight into the multielectron dynamics. PMID:28000666</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://ntrs.nasa.gov/search.jsp?R=19950037053&hterms=investigation+data&qs=Ntx%3Dmode%2Bmatchall%26Ntk%3DAll%26N%3D0%26No%3D50%26Ntt%3Dinvestigation%2Bdata','NASA-TRS'); return false;" href="https://ntrs.nasa.gov/search.jsp?R=19950037053&hterms=investigation+data&qs=Ntx%3Dmode%2Bmatchall%26Ntk%3DAll%26N%3D0%26No%3D50%26Ntt%3Dinvestigation%2Bdata"><span>Investigation of S3-2 satellite data for <span class="hlt">local</span> time variation of energetic <span class="hlt">electron</span> precipitation</span></a></p> <p><a target="_blank" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Robbe, S.; Sheldon, W. R.; Benbrook, J. R.; Bering, E. A.; Vampola, A. L.</p> <p>1994-01-01</p> <p>Data on precipitating <span class="hlt">electrons</span> from the S3-2 satellite were investigated for <span class="hlt">local</span> time variation at four L = 4 stations in the southern hemisphere. The equatorial pitch angles of <span class="hlt">electrons</span> mirroring at 100 km, assumed to be the edge of the bounce loss cone, are calculated for L = 4 using the International Geomagnetic Reference Field for the epoch of the S3-2 data, along with the variation in mirror altitude per degree of equatorial pitch angle. The largest obstacle to the investigation was uneven sampling in terms of <span class="hlt">local</span> time for all of the stations. However, this situation was improved upon by the use of S3-2 measurements at the conjugate locations of the four stations which provided additional data on <span class="hlt">electrons</span> in the southern hemisphere bounce loss cone. Evidence for an effect of the dawn-to-dusk geoelectric field was found at two of the stations, Halley Bay and Siple, in the form of a minimum in <span class="hlt">electron</span> precipitation at dusk. However, the present study does not completely resolve the question of <span class="hlt">local</span> time modulation of <span class="hlt">electron</span> precipitation at L = 4 in the southern hemisphere. Furthermore, while the average precipitation was lowest at the Kerguelen site, as would be expected on the basis of drift loss cone (DLC) theories, the intensity at that site exceeds the level that is expected on the basis of these DLC theories.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017PhRvB..95q4412R','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017PhRvB..95q4412R"><span><span class="hlt">Localization</span> of magnetic circular dichroic spectra in transmission <span class="hlt">electron</span> microscopy experiments with atomic plane resolution</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Rusz, Ján; Spiegelberg, Jakob; Muto, Shunsuke; Thersleff, Thomas; Ohtsuka, Masahiro; Leifer, Klaus; Oppeneer, Peter M.</p> <p>2017-05-01</p> <p>Inelastic <span class="hlt">electron</span> scattering is a consequence of mostly Coulomb interaction between <span class="hlt">electrons</span> in the sample and <span class="hlt">electron</span> beam and, as such, it is a nonlocal event. In atomic resolution experiments, it thus opens the following question: How far is the origin of the inelastic scattering signal that is observed when the <span class="hlt">electron</span> beam is passing nearby an atomic column or plane? We analyze computationally the delocalization of the magnetic signal in <span class="hlt">electron</span> magnetic circular dichroism (EMCD) experiments in the so-called three-beam orientation, allowing one to image individual atomic planes. We compare the classical EMCD setup using the double-difference procedure (DD-EMCD) to a recently introduced atomic plane resolution EMCD (APR-EMCD) geometry, assuming the same probe size. We observe a strong <span class="hlt">localization</span> of the EMCD signal to the closest atomic plane, confirming the potential of EMCD to study an evolution of magnetic properties near surfaces or interfaces with atomic plane resolution. The <span class="hlt">localization</span> of the EMCD signal is remarkably higher than the <span class="hlt">localization</span> of the nonmagnetic component of the inelastic scattering cross section. We also analyze double-channeling effects and find them particularly strong for the DD-EMCD method, while for APR-EMCD they appear to be minor. The DD-EMCD signal, on the other hand, appears to be more robust with respect to sample thickness than that of the APR-EMCD.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016NatCo...713948G','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016NatCo...713948G"><span>Ultrafast <span class="hlt">electronic</span> response of graphene to a strong and <span class="hlt">localized</span> electric field</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Gruber, Elisabeth; Wilhelm, Richard A.; Pétuya, Rémi; Smejkal, Valerie; Kozubek, Roland; Hierzenberger, Anke; Bayer, Bernhard C.; Aldazabal, Iñigo; Kazansky, Andrey K.; Libisch, Florian; Krasheninnikov, Arkady V.; Schleberger, Marika; Facsko, Stefan; Borisov, Andrei G.; Arnau, Andrés; Aumayr, Friedrich</p> <p>2016-12-01</p> <p>The way conduction <span class="hlt">electrons</span> respond to ultrafast external perturbations in low dimensional materials is at the core of the design of future devices for (opto)<span class="hlt">electronics</span>, photodetection and spintronics. Highly charged ions provide a tool for probing the <span class="hlt">electronic</span> response of solids to extremely strong electric fields <span class="hlt">localized</span> down to nanometre-sized areas. With ion transmission times in the order of femtoseconds, we can directly probe the <span class="hlt">local</span> <span class="hlt">electronic</span> dynamics of an ultrathin foil on this timescale. Here we report on the ability of freestanding single layer graphene to provide tens of <span class="hlt">electrons</span> for charge neutralization of a slow highly charged ion within a few femtoseconds. With values higher than 1012 A cm-2, the resulting <span class="hlt">local</span> current density in graphene exceeds previously measured breakdown currents by three orders of magnitude. Surprisingly, the passing ion does not tear nanometre-sized holes into the single layer graphene. We use time-dependent density functional theory to gain insight into the multielectron dynamics.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/28049322','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/28049322"><span><span class="hlt">Localized</span> operator partitioning method for <span class="hlt">electronic</span> excitation energies in the time-dependent density functional formalism.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Nagesh, Jayashree; Frisch, Michael J; Brumer, Paul; Izmaylov, Artur F</p> <p>2016-12-28</p> <p>We extend the <span class="hlt">localized</span> operator partitioning method (LOPM) [J. Nagesh, A. F. Izmaylov, and P. Brumer, J. Chem. Phys. 142, 084114 (2015)] to the time-dependent density functional theory framework to partition molecular <span class="hlt">electronic</span> energies of excited states in a rigorous manner. A molecular fragment is defined as a collection of atoms using Becke's atomic partitioning. A numerically efficient scheme for evaluating the fragment excitation energy is derived employing a resolution of the identity to preserve standard one- and two-<span class="hlt">electron</span> integrals in the final expressions. The utility of this partitioning approach is demonstrated by examining several excited states of two bichromophoric compounds: 9-((1- naphthyl)- methyl)- anthracene and 4-((2- naphthyl)- methyl)- benzaldehyde. The LOPM is found to provide nontrivial insights into the nature of <span class="hlt">electronic</span> energy <span class="hlt">localization</span> that is not accessible using a simple density difference analysis.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2004APS..MAR.K1225A','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2004APS..MAR.K1225A"><span>Development of improved analysis of non-<span class="hlt">local</span> <span class="hlt">electron</span> parallel heat transport in divertor plasmas</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Allais, Fabrice; Alouani Bibi, Fathallah; Kim, Chang-Geun; Matte, Jean-Pierre; Stotler, Daren P.</p> <p>2004-03-01</p> <p>Parallel <span class="hlt">electron</span> heat transport in divertor plasmas is investigated. Our <span class="hlt">electron</span> kinetic code "FPI" has been upgraded to take into account the hydrogen's atomic physics, including 30 energy levels in the computation. This required important improvements in the numerical algorithms in order to run the code within a reasonable time and compute the effects of each inelastic process. Their effects on non-<span class="hlt">local</span> transport and the large enhancement of the effective (i.e. including ionization via excited states) ionization rates in the cold plasma due to nonlocal transport will be presented. A non-<span class="hlt">local</span> <span class="hlt">electron</span> heat flow formula [1] has been adapted and implemented in the "UEDGE" code. Simulations using it were compared to runs made with the more traditional flux limited heat diffusion formula. Considerable differences were seen in the temperature profiles. [1] F. Alouani Bibi and J.P. Matte, Phys. Rev. E 66, 066414 (2002)</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016JChPh.145x4111N','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016JChPh.145x4111N"><span><span class="hlt">Localized</span> operator partitioning method for <span class="hlt">electronic</span> excitation energies in the time-dependent density functional formalism</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Nagesh, Jayashree; Frisch, Michael J.; Brumer, Paul; Izmaylov, Artur F.</p> <p>2016-12-01</p> <p>We extend the <span class="hlt">localized</span> operator partitioning method (LOPM) [J. Nagesh, A. F. Izmaylov, and P. Brumer, J. Chem. Phys. 142, 084114 (2015)] to the time-dependent density functional theory framework to partition molecular <span class="hlt">electronic</span> energies of excited states in a rigorous manner. A molecular fragment is defined as a collection of atoms using Becke's atomic partitioning. A numerically efficient scheme for evaluating the fragment excitation energy is derived employing a resolution of the identity to preserve standard one- and two-<span class="hlt">electron</span> integrals in the final expressions. The utility of this partitioning approach is demonstrated by examining several excited states of two bichromophoric compounds: 9-((1- naphthyl)- methyl)- anthracene and 4-((2- naphthyl)- methyl)- benzaldehyde. The LOPM is found to provide nontrivial insights into the nature of <span class="hlt">electronic</span> energy <span class="hlt">localization</span> that is not accessible using a simple density difference analysis.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/24320732','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/24320732"><span>New approach to Tolman's <span class="hlt">electronic</span> parameter based on <span class="hlt">local</span> vibrational modes.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Kalescky, Robert; Kraka, Elfi; Cremer, Dieter</p> <p>2014-01-06</p> <p>Tolman's <span class="hlt">electronic</span> parameter (TEP) derived from the A1-symmetrical CO stretching frequency of nickel-phosphine-tricarbonyl complexes, R3PNi(CO)3, is brought to a new, improved level by replacing normal with <span class="hlt">local</span> vibrational frequencies. CO normal vibrational frequencies are always flawed by mode-mode coupling especially with metal-carbon stretching modes, which leads to coupling frequencies as large as 100 cm(-1) and can become even larger when the transition metal and the number of ligands is changed. <span class="hlt">Local</span> TEP (LTEP) values, being based on <span class="hlt">local</span> CO stretching force constants rather than normal mode frequencies, no longer suffer from mode coupling and mass effects. For 42 nickel complexes of the type LNi(CO)3, it is shown that LTEP values provide a different ordering of ligand <span class="hlt">electronic</span> effects as previously suggested by TEP and CEP values. The general applicability of the LTEP concept is demonstrated.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/28339229','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/28339229"><span>First-Principles-Based Method for <span class="hlt">Electron</span> <span class="hlt">Localization</span>: Application to Monolayer Hexagonal Boron Nitride.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Ekuma, C E; Dobrosavljević, V; Gunlycke, D</p> <p>2017-03-10</p> <p>We present a first-principles-based many-body typical medium dynamical cluster approximation and density function theory method for characterizing <span class="hlt">electron</span> <span class="hlt">localization</span> in disordered structures. This method applied to monolayer hexagonal boron nitride shows that the presence of boron vacancies could turn this wide-gap insulator into a correlated metal. Depending on the strength of the <span class="hlt">electron</span> interactions, these calculations suggest that conduction could be obtained at a boron vacancy concentration as low as 1.0%. We also explore the distribution of the <span class="hlt">local</span> density of states, a fingerprint of spatial variations, which allows <span class="hlt">localized</span> and delocalized states to be distinguished. The presented method enables the study of disorder-driven insulator-metal transitions not only in h-BN but also in other physical materials.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017PhRvL.118j6404E','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017PhRvL.118j6404E"><span>First-Principles-Based Method for <span class="hlt">Electron</span> <span class="hlt">Localization</span>: Application to Monolayer Hexagonal Boron Nitride</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Ekuma, C. E.; Dobrosavljević, V.; Gunlycke, D.</p> <p>2017-03-01</p> <p>We present a first-principles-based many-body typical medium dynamical cluster approximation and density function theory method for characterizing <span class="hlt">electron</span> <span class="hlt">localization</span> in disordered structures. This method applied to monolayer hexagonal boron nitride shows that the presence of boron vacancies could turn this wide-gap insulator into a correlated metal. Depending on the strength of the <span class="hlt">electron</span> interactions, these calculations suggest that conduction could be obtained at a boron vacancy concentration as low as 1.0%. We also explore the distribution of the <span class="hlt">local</span> density of states, a fingerprint of spatial variations, which allows <span class="hlt">localized</span> and delocalized states to be distinguished. The presented method enables the study of disorder-driven insulator-metal transitions not only in h -BN but also in other physical materials.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/28749654','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/28749654"><span>Decomposition Mechanism of C<span class="hlt">5</span><span class="hlt">F</span>10O: An Environmentally Friendly Insulation Medium.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Zhang, Xiaoxing; Li, Yi; Xiao, Song; Tang, Ju; Tian, Shuangshuang; Deng, Zaitao</p> <p>2017-09-05</p> <p>SF6, the most widely used electrical-equipment-insulation gas, has serious greenhouse effects. C<span class="hlt">5</span><span class="hlt">F</span>10O has attracted much attention as an alternative gas in recent two years, but the environmental impact of its decomposition products is unclear. In this work, the decomposition characteristics of C<span class="hlt">5</span><span class="hlt">F</span>10O were studied based on gas chromatography-mass spectrometry and density functional theory. We found that the amount of decomposition products of C<span class="hlt">5</span><span class="hlt">F</span>10O, namely, CF4, C2F6, C3F6, C3F8, C4F10, and C6F14, increased with increased number of discharges. Under a high-energy electric field, the C-C bond of C<span class="hlt">5</span><span class="hlt">F</span>10O between carbonyl carbon and α-carbon atoms was most likely to break and generate CF3CO•, C3F7• or C3F7CO•, CF3• free radicals. CF3•, and C3F7• free radicals produced by the breakage more easily recombined to form small molecular products. By analyzing the ionization parameters, toxicity, and environmental effects of C<span class="hlt">5</span><span class="hlt">F</span>10O and its decomposition products, we found that C<span class="hlt">5</span><span class="hlt">F</span>10O gas mixtures exhibit great decomposition and environmental characteristics with low toxicity, with great potential to replace SF6.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017JPhCS.827a2008Z','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017JPhCS.827a2008Z"><span>The <span class="hlt">local</span> magnetic moment and <span class="hlt">electron</span> transfer of ZnO-based dilute magnetic semiconductors</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Zhuang, Bin; Yang, Yanmin; Zhong, Kehua; Zhang, Jian-Min; Xu, Guigui; Huang, Zhigao</p> <p>2017-05-01</p> <p>The <span class="hlt">electronic</span> structures and magnetic properties of ZnO semiconductors doped with Cu, Co, C, Al and S are studied by first-principles calculation. The <span class="hlt">electronic</span> transfer among Zn, O and doped atoms, and the differences of the number of <span class="hlt">electron</span> between spin-up and spin-down, Δs, Δp, Δd for s, p and d orbits of these atoms, are analyzed in detail. It is found that, the ferromagnetic ground state is stabilized by its half-metallic <span class="hlt">electronic</span> structure, and the strong <span class="hlt">local</span> magnetic moments in Zn1-xCoxO, Zn1-xCuxO and ZnO1-xCx (x = 5.55%) DMSs originate mainly from the strong hybridizations between Cu-3d and O-2p, Co-3d and O-2p, Zn-3d and C-2p <span class="hlt">electrons</span>. It is considered that the requirements to give rise to the ferromagnetism in the DMSs are the strong <span class="hlt">local</span> magnetic moment and the <span class="hlt">electron</span> transfer. The magnetic coupling in Zn1-xCoxO, Zn1-xCuxO and ZnO1-xCx is also considered to be a RKKY interaction.</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_10");'>10</a></li> <li><a href="#" onclick='return showDiv("page_11");'>11</a></li> <li class="active"><span>12</span></li> <li><a href="#" onclick='return showDiv("page_13");'>13</a></li> <li><a href="#" onclick='return showDiv("page_14");'>14</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_12 --> <div id="page_13" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_11");'>11</a></li> <li><a href="#" onclick='return showDiv("page_12");'>12</a></li> <li class="active"><span>13</span></li> <li><a href="#" onclick='return showDiv("page_14");'>14</a></li> <li><a href="#" onclick='return showDiv("page_15");'>15</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="241"> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/24352287','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/24352287"><span>Rapid <span class="hlt">local</span> acceleration of relativistic radiation-belt <span class="hlt">electrons</span> by magnetospheric chorus.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Thorne, R M; Li, W; Ni, B; Ma, Q; Bortnik, J; Chen, L; Baker, D N; Spence, H E; Reeves, G D; Henderson, M G; Kletzing, C A; Kurth, W S; Hospodarsky, G B; Blake, J B; Fennell, J F; Claudepierre, S G; Kanekal, S G</p> <p>2013-12-19</p> <p>Recent analysis of satellite data obtained during the 9 October 2012 geomagnetic storm identified the development of peaks in <span class="hlt">electron</span> phase space density, which are compelling evidence for <span class="hlt">local</span> <span class="hlt">electron</span> acceleration in the heart of the outer radiation belt, but are inconsistent with acceleration by inward radial diffusive transport. However, the precise physical mechanism responsible for the acceleration on 9 October was not identified. Previous modelling has indicated that a magnetospheric electromagnetic emission known as chorus could be a potential candidate for <span class="hlt">local</span> <span class="hlt">electron</span> acceleration, but a definitive resolution of the importance of chorus for radiation-belt acceleration was not possible because of limitations in the energy range and resolution of previous <span class="hlt">electron</span> observations and the lack of a dynamic global wave model. Here we report high-resolution <span class="hlt">electron</span> observations obtained during the 9 October storm and demonstrate, using a two-dimensional simulation performed with a recently developed time-varying data-driven model, that chorus scattering explains the temporal evolution of both the energy and angular distribution of the observed relativistic <span class="hlt">electron</span> flux increase. Our detailed modelling demonstrates the remarkable efficiency of wave acceleration in the Earth's outer radiation belt, and the results presented have potential application to Jupiter, Saturn and other magnetized astrophysical objects.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://www.osti.gov/scitech/servlets/purl/994010','SCIGOV-STC'); return false;" href="http://www.osti.gov/scitech/servlets/purl/994010"><span>Distinct <span class="hlt">local</span> <span class="hlt">electronic</span> structure and magnetism for Mn in amorphous Si and Ge</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Zeng, Li; Cao, J. X.; Helgren, E.; Karel, J.; Arenholz, E.; Ouyang, Lu; Smith, David J.; Wu, R. Q.; Hellman, F.</p> <p>2010-06-01</p> <p>Transition metals such as Mn generally have large <span class="hlt">local</span> moments in covalent semiconductors due to their partially filled d shells. However, Mn magnetization in group-IV semiconductors is more complicated than often recognized. Here we report a striking crossover from a quenched Mn moment (<0.1 {mu}{sub B}) in amorphous Si (a-Si) to a large distinct <span class="hlt">local</span> Mn moment ({ge}3{mu}{sub B}) in amorphous Ge (a-Ge) over a wide range of Mn concentrations (0.005-0.20). Corresponding differences are observed in d-shell <span class="hlt">electronic</span> structure and the sign of the Hall effect. Density-functional-theory calculations show distinct <span class="hlt">local</span> structures, consistent with different atomic density measured for a-Si and a-Ge, respectively, and the Mn coordination number N{sub c} is found to be the key factor. Despite the amorphous structure, Mn in a-Si is in a relatively well-defined high coordination interstitial type site with broadened d bands, low moment, and <span class="hlt">electron</span> (n-type) carriers, while Mn in a-Ge is in a low coordination substitutional type site with large <span class="hlt">local</span> moment and holes (p-type) carriers. Moreover, the correlation between N{sub c} and the magnitude of the <span class="hlt">local</span> moment is essentially independent of the matrix; the <span class="hlt">local</span> Mn moments approach zero when N{sub c} > 7 for both a-Si and a-Ge.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2014AGUFM.P21A3906T','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2014AGUFM.P21A3906T"><span><span class="hlt">Local</span> <span class="hlt">electron</span> heating in the Io plasma torus associated with Io: the HISAKI observation</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Tsuchiya, F.; Yoshioka, K.; Kimura, T.; Murakami, G.; Kagitani, M.; Yamazaki, A.; Kasaba, Y.; Sakanoi, T.; Yoshikawa, I.; Nozawa, H.</p> <p>2014-12-01</p> <p>Io-correlated brightness change in Io plasma torus (IPT) has been discovered by Voyager and show an evidence of <span class="hlt">local</span> <span class="hlt">electron</span> heating around Io. However, the amount of observation data is still limited to investigate its detail properties. In addition, the clear Io-correlated change has not been detected by EUVE and Cassini observations. Cause of the Io-correlated effect is still open issue. The HISAKI satellite was launched on Sep. 14, 2013 and started observation of IPT and Jovian aurora for more than two months since the end of Dec. 2013. EUV spectrograph onboard the HISAKI satellite covers wavelength range from 55 to 145 nm, a wide slit which had a field of view of 400 x 140 arc-second was chosen to measure radial distribution and time variation of IPT. Observation of IPT with HISAKI showed clear Io-correlated brightness change since the Voyager observation. The amplitude of the periodic variation associated with Io's orbital period was found. It also showed long-term variation during the HISAKI's observation period. Through the observation period, the amplitude was larger in the short wavelength than in long wavelength. The wavelength dependence suggests significant <span class="hlt">electron</span> heating and/or hot <span class="hlt">electron</span> production. The Io phase dependence shows that bright region is located just downstream of Io. These are evidence of <span class="hlt">local</span> <span class="hlt">electron</span> heating around/downstream of Io and consistent with the Voyager result. The brightness also depends on system-III longitude and has <span class="hlt">local</span> maximum around 120 and 300 degrees. Based on an empirical model of IPT, <span class="hlt">electron</span> density at Io also shows maxima around the same longitudes. This suggests that the <span class="hlt">electron</span> heating process is related with plasma density at Io. Candidate mechanisms which are responsible for the <span class="hlt">electron</span> heating will be discussed.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://www.osti.gov/scitech/servlets/purl/977404','SCIGOV-STC'); return false;" href="http://www.osti.gov/scitech/servlets/purl/977404"><span><span class="hlt">Electronic</span> structure of delta-Pu and PuCoGa[sub 3] from photoemission and the mixed level model</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>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.</p> <p>2004-01-01</p> <p>The <span class="hlt">electronic</span> 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 <span class="hlt">electronic</span> structure aspects of Pu-based materials. The photoemission results show two separate regions of <span class="hlt">5</span><span class="hlt">f</span> <span class="hlt">electron</span> 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 <span class="hlt">5</span><span class="hlt">f</span> <span class="hlt">electron</span> behavior on the threshold between <span class="hlt">localized</span> and itinerant and a broader framework for understanding the fundamental <span class="hlt">electronic</span> properties of the Pu <span class="hlt">5</span><span class="hlt">f</span> levels in general within two configurations, one <span class="hlt">localized</span> and one itinerant.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016APS..DPPC10010N','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016APS..DPPC10010N"><span>Effect of non-<span class="hlt">local</span> <span class="hlt">electron</span> conduction in compression of solid ball target for fast ignition</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Nagatomo, Hideo; Asahina, Takashi; Nicolai, Philippe; Sunahara, Atsushi; Johzaki, Tomoyuki</p> <p>2016-10-01</p> <p>In the first phase of the fast ignition scheme, fuel target is compressed by the implosion laser, where only achievement of high dense fuel is required because the increment of the temperature to ignite the fuel is given by heating lasers. The ideal compression method for solid target is isentropic compression with tailored pulse shape. However, it requires the high laser intensity >1015 W/cm2 which cause the hot <span class="hlt">electrons</span>. Numerical simulation for these conditions non-<span class="hlt">local</span> <span class="hlt">electron</span> transport model is necessary. Recently, we have installed SNB model to a 2-D radiation hydrodynamic simulation code. In this presentation, effect of hot <span class="hlt">electron</span> in isentropic compression and optimum method are discussed, which may be also significant for shock ignition scheme. Also effect of external magnetic field to the hot <span class="hlt">electron</span> will be considered. This study was supported by JSPS KAKENHI Grant No. 26400532.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://ntrs.nasa.gov/search.jsp?R=19850034714&hterms=static+electricity&qs=Ntx%3Dmode%2Bmatchall%26Ntk%3DAll%26N%3D0%26No%3D20%26Ntt%3Dstatic%2Belectricity','NASA-TRS'); return false;" href="https://ntrs.nasa.gov/search.jsp?R=19850034714&hterms=static+electricity&qs=Ntx%3Dmode%2Bmatchall%26Ntk%3DAll%26N%3D0%26No%3D20%26Ntt%3Dstatic%2Belectricity"><span>Sum rules and static <span class="hlt">local</span>-field corrections of <span class="hlt">electron</span> liquids in two and three dimensions</span></a></p> <p><a target="_blank" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Iwamoto, N.</p> <p>1984-01-01</p> <p>The dielectric functions of <span class="hlt">electron</span> liquids which take into account short-range <span class="hlt">electron-electron</span> correlations via the static <span class="hlt">local</span>-field corrections are examined in the light of the frequency-moment sum rules. The formation is given for degenerate as well as classical <span class="hlt">electron</span> liquids in arbitrary (d) spatial dimensions, which is suitable for comparison between the two- and three-dimensional cases. By using the virial equations of state it is shown that such dielectric functions cannot satisfy the compressibility sum rule and the third-frequency-moment sum rule simultaneously. In the degenerate case, the plasmon, single-pair, and multipair contributions to the sum rules are analyzed, and the reason for this incompatibility is discussed.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/23083167','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/23083167"><span>Role of <span class="hlt">electronic</span> <span class="hlt">localization</span> in the phosphorescence of iridium sensitizing dyes.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Himmetoglu, Burak; Marchenko, Alex; Dabo, Ismaïla; Cococcioni, Matteo</p> <p>2012-10-21</p> <p>In this work we present a systematic study of three representative iridium dyes, namely, Ir(ppy)(3), FIrpic, and PQIr, which are commonly used as sensitizers in organic optoelectronic devices. We show that <span class="hlt">electronic</span> correlations play a crucial role in determining the excited-state energies in these systems, due to <span class="hlt">localization</span> of <span class="hlt">electrons</span> on Ir d orbitals. <span class="hlt">Electronic</span> <span class="hlt">localization</span> is captured by employing hybrid functionals within time-dependent density-functional theory and with Hubbard-model corrections within the Δ-SCF approach. The performance of both methods are studied comparatively and shown to be in good agreement with experiment. The Hubbard-corrected functionals provide further insight into the <span class="hlt">localization</span> of <span class="hlt">electrons</span> and on the charge-transfer character of excited-states. The gained insight allows us to comment on envisioned functionalization strategies to improve the performance of these systems. Complementary discussions on the Δ-SCF method are also presented in order to fill some of the gaps in the literature.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2008JPhA...41f5101Z','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2008JPhA...41f5101Z"><span>High-energy <span class="hlt">localized</span> eigenstates of an <span class="hlt">electronic</span> resonator in a magnetic field</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Zalipaev, V. V.; Kusmartsev, F. V.; Popov, M. M.</p> <p>2008-02-01</p> <p>We present a semiclassical analysis of the high-energy eigenstates of an <span class="hlt">electron</span> inside a closed resonator. An asymptotic method of the construction of the energy spectrum and eigenfunctions, <span class="hlt">localized</span> in the small neighborhood of a periodic orbit, is developed in the presence of a homogeneous magnetic field and arbitrary scalar potential. The isolated periodic orbit is confined between two interfaces which could be planar, concave or even convex. Such a system represents a quantum <span class="hlt">electronic</span> resonator, an analog of the well-known high-frequency optical or acoustic resonator with eigenmodes called 'bouncing ball vibrations'. The first step in the asymptotic analysis involves constructing a solitary <span class="hlt">localized</span> asymptotic solution to the Schrödinger equation (<span class="hlt">electronic</span> Gaussian beam—wavepackage). Then, the stability of a closed continuous family of periodic trajectories confined between two reflecting surfaces of the resonator boundary was studied. The asymptotics of the eigenfunctions were constructed as a superposition of two <span class="hlt">electronic</span> Gaussian beams propagating in opposite directions between two reflecting points of the periodic orbits. The asymptotics of the energy spectrum are obtained by the generalized Bohr-Sommerfeld quantization condition derived as a requirement for the eigenfunction asymptotics to be periodic. For one class of periodic orbits, <span class="hlt">localized</span> eigenstates were computed numerically by the finite element method using FEMLAB and proved to be in a very good agreement with those computed semiclassically.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.osti.gov/scitech/biblio/22581628','SCIGOV-STC'); return false;" href="https://www.osti.gov/scitech/biblio/22581628"><span>Effect of oxygen deficiency on <span class="hlt">electronic</span> properties and <span class="hlt">local</span> structure of amorphous tantalum oxide thin films</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Denny, Yus Rama; Firmansyah, Teguh; Oh, Suhk Kun; Kang, Hee Jae; Yang, Dong-Seok; Heo, Sung; Chung, JaeGwan; Lee, Jae Cheol</p> <p>2016-10-15</p> <p>Highlights: • The effect of oxygen flow rate on <span class="hlt">electronic</span> properties and <span class="hlt">local</span> structure of tantalum oxide thin films was studied. • The oxygen deficiency induced the nonstoichiometric state a-TaOx. • A small peak at 1.97 eV above the valence band side appeared on nonstoichiometric Ta{sub 2}O{sub 5} thin films. • The oxygen flow rate can change the <span class="hlt">local</span> <span class="hlt">electronic</span> structure of tantalum oxide thin films. - Abstract: The dependence of <span class="hlt">electronic</span> properties and <span class="hlt">local</span> structure of tantalum oxide thin film on oxygen deficiency have been investigated by means of X-ray photoelectron spectroscopy (XPS), Reflection <span class="hlt">Electron</span> Energy Loss Spectroscopy (REELS), and X-ray absorption spectroscopy (XAS). The XPS results showed that the oxygen flow rate change results in the appearance of features in the Ta 4f at the binding energies of 23.2 eV, 24.4 eV, 25.8, and 27.3 eV whose peaks are attributed to Ta{sup 1+}, Ta{sup 2+}, Ta{sup 3+}/Ta{sup 4+}, and Ta{sup 5+}, respectively. The presence of nonstoichiometric state from tantalum oxide (TaOx) thin films could be generated by the oxygen vacancies. In addition, XAS spectra manifested both the increase of coordination number of the first Ta-O shell and a considerable reduction of the Ta-O bond distance with the decrease of oxygen deficiency.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016PhyS...91a3001S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016PhyS...91a3001S"><span>Aromaticity of rings-in-molecules (RIMs) from <span class="hlt">electron</span> <span class="hlt">localization</span>-delocalization matrices (LDMs)</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Sumar, Ismat; Cook, Ronald; Ayers, Paul W.; Matta, Chérif F.</p> <p>2016-01-01</p> <p>A new and powerful molecular descriptor termed the LDM (<span class="hlt">localization</span>-delocalization matrix) has recently been proposed as a molecular fingerprinting tool and has been shown to yield robust quantitative-structure-to-activity/property-relationships (QSAR/QSPR). An LDM lists the average number of <span class="hlt">electrons</span> <span class="hlt">localized</span> within an atom in a molecule along its diagonal while the off-diagonal elements are the pair-wise average number of <span class="hlt">electrons</span> shared between every pair of atoms in the molecule, bonded or not. Hence, the LDM is a representation of a fuzzy molecular graph that accounts for the whereabouts of all <span class="hlt">electron(s</span>) in the molecule and can be expected to encode for several facets of its chemistry at once. We show that the LDM captures the aromatic character of a ring-in-a-molecule by comparing the aromaticity ranking based on the LDMs and their eigenvalues of 6-membered carbon rings within (polycyclic) benzenoid hydrocarbons with the ranking based on four well-established <span class="hlt">local</span> aromaticity measures (harmonic oscillator model of aromaticity, acromatic fluctuation index, para delocalization index, and nucleus independent chemical shift(0)). This paper is dedicated to the memory of Professor Paul von Ragué Schleyer (1930-2014).</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2014EL....10637007H','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2014EL....10637007H"><span>Effect of <span class="hlt">local</span> atomic and <span class="hlt">electronic</span> structures on thermoelectric properties of chemically substituted CoSi</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Hsu, C. C.; Pao, C. W.; Chen, J. L.; Chen, C. L.; Dong, C. L.; Liu, Y. S.; Lee, J. F.; Chan, T. S.; Chang, C. L.; Kuo, Y. K.; Lue, C. S.</p> <p>2014-05-01</p> <p>We report the effects of Ge partial substitution for Si on <span class="hlt">local</span> atomic and <span class="hlt">electronic</span> structures of thermoelectric materials in binary compound cobalt monosilicides (\\text{CoSi}_{1-x}\\text{Ge}_{x}\\text{:}\\ 0 \\le x \\le 0.15 ). Correlations between <span class="hlt">local</span> atomic/<span class="hlt">electronic</span> structure and thermoelectric properties are investigated by means of X-ray absorption spectroscopy. The spectroscopic results indicate that as Ge is partially substituted onto Si sites at x \\le 0.05 , Co in CoSi1-xGex gains a certain amount of charge in its 3d orbitals. Contrarily, upon further replacing Si with Ge at x \\ge 0.05 , the Co 3d orbitals start to lose some of their charge. Notably, thermopower is strongly correlated with charge redistribution in the Co 3d orbital, and the observed charge transfer between Ge and Co is responsible for the variation of Co 3d occupancy number. In addition to Seebeck coefficient, which can be modified by tailoring the Co 3d states, <span class="hlt">local</span> lattice disorder may also be beneficial in enhancing the thermoelectric properties. Extended X-ray absorption fine structure spectrum results further demonstrate that the lattice phonons can be enhanced by Ge doping, which results in the formation of the disordered Co-Co pair. Improvements in the thermoelectric properties are interpreted based on the variation of <span class="hlt">local</span> atomic and <span class="hlt">electronic</span> structure induced by lattice distortion through chemical substitution.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2015AGUFMSH11D2407S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2015AGUFMSH11D2407S"><span><span class="hlt">Local</span> generation of the strahl in the solar wind <span class="hlt">electrons</span> via whistler instability</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Seough, J.; Nariyuki, Y.; Yoon, P. H.; Saito, S.</p> <p>2015-12-01</p> <p>The present study put forth a possible explanation for the formation of the strahl component in the measured solar wind <span class="hlt">electron</span> velocity distribution functions (VDFs). Based upon the observational fact that in the collisionless plasmas, the halo <span class="hlt">electrons</span> possess a net drift speed with respect to the core, the present study carries out one-dimensional particle-in-cell simulation of the whistler instability driven by the anisotropic core in the presence of the isotropic drifting halo <span class="hlt">electrons</span>. Pitch angle scattering of the halo <span class="hlt">electrons</span> occurs by the enhanced whistler waves. The pitch angle scattering primarily affects the halo moving in the field-aligned direction, resulting in pitch angle diffusion across 90o gap in velocity space through nonlinear scattering process. This non-resonant interaction is accompanied by the reduction in a net drift speed of the halo, distinguishing the strahl feature from the halo <span class="hlt">electrons</span>. Consequently, the remaining portion of the field-aligned moving halo, which is not affected by pitch angle scattering, simply appears to form the strahl in the <span class="hlt">electron</span> velocity distribution. The core-halo-strahl feature shown in the numerical result is consistent with the observed <span class="hlt">electron</span> VDF in the solar wind. The present scenario of <span class="hlt">local</span> generation of the strahl suggests the new idea that the halo and strahl components might actually be one and the same, except that the strahl might simply be the remnant of pitch angle scattering of the anti-sunward moving halo by the whistler instability.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.osti.gov/scitech/biblio/21562393','SCIGOV-STC'); return false;" href="https://www.osti.gov/scitech/biblio/21562393"><span>Interaction of <span class="hlt">electrons</span> with optical phonons <span class="hlt">localized</span> in a quantum well</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Pozela, J. Pozela, K.; Juciene, V.; Suziedelis, A.; Shkolnik, A. S.; Mikhrin, S. S.; Mikhrin, V. S.</p> <p>2009-12-15</p> <p>The scattering rate of <span class="hlt">electrons</span> in a quantum well by <span class="hlt">localized</span> polar optical and interface phonons is considered. The dependence of the force of the <span class="hlt">electron</span>-phonon interaction on the frequency of optical phonons in materials of the heterostructure forming the <span class="hlt">electron</span> and phonon quantum wells is determined. It is shown that, by varying the composition of semiconductors forming the quantum well and its barriers, it is possible to vary the scattering rates of <span class="hlt">electrons</span> by a factor of several times. The scattering rates of <span class="hlt">electrons</span> by polar optical phonons are calculated depending on the fractions In{sub x} and In{sub y} in the composition of semiconductors forming the In{sub x}Al{sub 1-x}As/In{sub y}Ga{sub 1-y}As quantum wells. Dependences of the mobility and saturated drift velocity of <span class="hlt">electrons</span> in high electric fields and quantum wells In{sub y}Ga{sub 1-y}As on the composition of the In{sub x}Al{sub 1-x}As barriers introduced into quantum wells are determined experimentally. The <span class="hlt">electron</span> mobility increases, while the saturated drift velocity decreases as the fraction of In{sub x} in the composition of barriers is increased.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.osti.gov/scitech/biblio/22416169','SCIGOV-STC'); return false;" href="https://www.osti.gov/scitech/biblio/22416169"><span>An efficient implementation of the <span class="hlt">localized</span> operator partitioning method for <span class="hlt">electronic</span> energy transfer</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Nagesh, Jayashree; Brumer, Paul; Izmaylov, Artur F.</p> <p>2015-02-28</p> <p>The <span class="hlt">localized</span> operator partitioning method [Y. Khan and P. Brumer, J. Chem. Phys. 137, 194112 (2012)] rigorously defines the <span class="hlt">electronic</span> energy on any subsystem within a molecule and gives a precise meaning to the subsystem ground and excited <span class="hlt">electronic</span> energies, which is crucial for investigating <span class="hlt">electronic</span> energy transfer from first principles. However, an efficient implementation of this approach has been hindered by complicated one- and two-<span class="hlt">electron</span> integrals arising in its formulation. Using a resolution of the identity in the definition of partitioning, we reformulate the method in a computationally efficient manner that involves standard one- and two-<span class="hlt">electron</span> integrals. We apply the developed algorithm to the 9 − ((1 − naphthyl) − methyl) − anthracene (A1N) molecule by partitioning A1N into anthracenyl and CH{sub 2} − naphthyl groups as subsystems and examine their <span class="hlt">electronic</span> energies and populations for several excited states using configuration interaction singles method. The implemented approach shows a wide variety of different behaviors amongst the excited <span class="hlt">electronic</span> states.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/23807798','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/23807798"><span>Delocalized and <span class="hlt">localized</span> states of eg <span class="hlt">electrons</span> in half-doped manganites.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Winkler, E L; Tovar, M; Causa, M T</p> <p>2013-07-24</p> <p>We have studied the magnetic behaviour of half-doped manganite Y0.5Ca0.5MnO3 in an extended range of temperatures by means of magnetic susceptibility, χ(T), and <span class="hlt">electron</span> spin resonance (ESR) experiments. At high temperature the system crystallizes in an orthorhombic structure. The resistivity value, ρ ≃ 0.05 Ω cm at 500 K, indicates a metallic behaviour, while the Curie-Weiss dependence of χ(T) and the thermal evolution of the ESR parameters are very well described by a model that considers a system conformed by <span class="hlt">localized</span> Mn(4+) cores, [Formula: see text], and itinerant, eg, <span class="hlt">electrons</span>. The strong coupling between t2g and eg <span class="hlt">electrons</span> results in an enhanced Curie constant and an FM Curie-Weiss temperature that overcomes the AFM interactions between the [Formula: see text] cores. A transition to a more distorted phase is observed at T ≈ 500 K and signatures of <span class="hlt">localization</span> of the eg <span class="hlt">electrons</span> appear in the χ(T) behaviour below 300 K. A new Curie-Weiss regime is observed, where the Curie-constant value is consistent with dimer formation. Based on mean-field calculations, the dimer formation is predicted as a function of the interaction strength between the t2g and eg <span class="hlt">electrons</span>.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/25260183','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/25260183"><span>Copper plasmonics and catalysis: role of <span class="hlt">electron</span>-phonon interactions in dephasing <span class="hlt">localized</span> surface plasmons.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Sun, Qi-C; Ding, Yuchen; Goodman, Samuel M; Funke, Hans H; Nagpal, Prashant</p> <p>2014-11-07</p> <p>Copper metal can provide an important alternative for the development of efficient, low-cost and low-loss plasmonic nanoparticles, and selective nanocatalysts. However, poor chemical stability and lack of insight into photophysics and plasmon decay mechanisms has impeded study. Here, we use smooth conformal ALD coating on copper nanoparticles to prevent surface oxidation, and study dephasing time for <span class="hlt">localized</span> surface plasmons on different sized copper nanoparticles. Using dephasing time as a figure of merit, we elucidate the role of <span class="hlt">electron-electron</span>, <span class="hlt">electron</span>-phonon, impurity, surface and grain boundary scattering on the decay of <span class="hlt">localized</span> surface plasmon waves. Using our quantitative analysis and different temperature dependent measurements, we show that <span class="hlt">electron</span>-phonon interactions dominate over other scattering mechanisms in dephasing plasmon waves. While interband transitions in copper metal contributes substantially to plasmon losses, tuning surface plasmon modes to infrared frequencies leads to a five-fold enhancement in the quality factor. These findings demonstrate that conformal ALD coatings can improve the chemical stability for copper nanoparticles, even at high temperatures (>300 °C) in ambient atmosphere, and nanoscaled copper is a good alternative material for many potential applications in nanophotonics, plasmonics, catalysis and nanoscale <span class="hlt">electronics</span>.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://www.osti.gov/scitech/servlets/purl/1074329','SCIGOV-STC'); return false;" href="http://www.osti.gov/scitech/servlets/purl/1074329"><span>Second Line of Defense: <span class="hlt">Electronic</span> Maintenance Reports, <span class="hlt">Local</span> Maintenance Provider User Guide, Rev. 3</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Leigh, Richard J.</p> <p>2012-09-01</p> <p>The <span class="hlt">Electronic</span> Maintenance Report forms allow <span class="hlt">Local</span> Maintenance Providers (LMP) and other program staff to enter maintenance information into a simple and secure system. This document describes the features and information required to complete the Maintenance Report forms. It is expected that all Corrective Maintenance Reports from LMPs will be submitted <span class="hlt">electronically</span> into the SLD Portal. As an exception (e.g., when access to the SLD Portal is unavailable), Maintenance Reports can be submitted via a secure Adobe PDF form available through the Sustainability Manager assigned to each country.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.osti.gov/scitech/biblio/7163703','SCIGOV-STC'); return false;" href="https://www.osti.gov/scitech/biblio/7163703"><span><span class="hlt">Electron</span> affinities for rare gases and some actinides from <span class="hlt">local</span>-spin-density-functional theory</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Guo, Y.; Wrinn, M.C.; Whitehead, M.A. )</p> <p>1989-12-01</p> <p>The negative ions of the rare gases (He, Ne, Ar, Kr, Xe, and Rn) and some actinides (Pu, Am, Bk, Cf, and Es) have been calculated self-consistently by the generalized exchange <span class="hlt">local</span>-spin-density-functional theory with self-interaction correction and correlation. The <span class="hlt">electron</span> affinities were obtained as the differences between the statistical total energies of the negative ions and neutral atoms; the <span class="hlt">electron</span> affinities were positive around several millirydbergs. Consequently, the negative ions are predicted stable for the rare gases and actinides.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://www.osti.gov/scitech/servlets/purl/928378','SCIGOV-STC'); return false;" href="http://www.osti.gov/scitech/servlets/purl/928378"><span>Dissociative <span class="hlt">electron</span> attachment to the H2O molecule II: nucleardynamics on coupled <span class="hlt">electronic</span> surfaces within the <span class="hlt">local</span> complexpotential model</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Haxton, Daniel J.; Rescigno, Thomas N.; McCurdy, C. William</p> <p>2006-12-21</p> <p>We report the results of a first-principles study of dissociative <span class="hlt">electron</span> attachment (DEA) to H{sub 2}O. The cross sections were obtained from nuclear dynamics calculations carried out in full dimensionality within the <span class="hlt">local</span> complex potential model by using the multi-configuration time-dependent Hartree method. The calculations employ our previously obtained global, complex-valued, potential energy surfaces for the three ({sup 2}B{sub 1}, {sup 2}A{sub 1}, and {sup 2}B{sub 2}) <span class="hlt">electronic</span> Feshbach resonances involved in this process. These three metastable states of H{sub 2}O{sup -} undergo several degeneracies, and we incorporate both the Renner-Teller coupling between the {sup 2}B{sub 1} and {sup 2}A{sub 1} states, as well as the conical intersection between the {sup 2}A{sub 1} and {sup 2}B{sub 2} states, into our treatment. The nuclear dynamics are inherently multi-dimensional and involve branching between different final product arrangements as well as extensive excitation of the diatomic fragment. Our results successfully mirror the qualitative features of the major fragment channels observed, but are less successful in reproducing the available results for some of the minor channels. We comment on the applicability of the <span class="hlt">local</span> complex potential model to such a complicated resonant system.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017EPJB...90...53M','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017EPJB...90...53M"><span>Quantum currents and pair correlation of <span class="hlt">electrons</span> in a chain of <span class="hlt">localized</span> dots</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Morawetz, Klaus</p> <p>2017-03-01</p> <p>The quantum transport of <span class="hlt">electrons</span> in a wire of <span class="hlt">localized</span> dots by hopping, interaction and dissipation is calculated and a representation by an equivalent RCL circuit is found. The exact solution for the electric-field induced currents allows to discuss the role of virtual currents to decay initial correlations and Bloch oscillations. The dynamical response function in random phase approximation (RPA) is calculated analytically with the help of which the static structure function and pair correlation function are determined. The pair correlation function contains a form factor from the Brillouin zone and a structure factor caused by the <span class="hlt">localized</span> dots in the wire.</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_11");'>11</a></li> <li><a href="#" onclick='return showDiv("page_12");'>12</a></li> <li class="active"><span>13</span></li> <li><a href="#" onclick='return showDiv("page_14");'>14</a></li> <li><a href="#" onclick='return showDiv("page_15");'>15</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_13 --> <div id="page_14" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_12");'>12</a></li> <li><a href="#" onclick='return showDiv("page_13");'>13</a></li> <li class="active"><span>14</span></li> <li><a href="#" onclick='return showDiv("page_15");'>15</a></li> <li><a href="#" onclick='return showDiv("page_16");'>16</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="261"> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2010JChPh.132c4110D','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2010JChPh.132c4110D"><span>Exploiting the spatial <span class="hlt">locality</span> of <span class="hlt">electron</span> correlation within the parametric two-<span class="hlt">electron</span> reduced-density-matrix method</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>DePrince, A. Eugene; Mazziotti, David A.</p> <p>2010-01-01</p> <p>The parametric variational two-<span class="hlt">electron</span> reduced-density-matrix (2-RDM) method is applied to computing <span class="hlt">electronic</span> correlation energies of medium-to-large molecular systems by exploiting the spatial <span class="hlt">locality</span> of <span class="hlt">electron</span> correlation within the framework of the cluster-in-molecule (CIM) approximation [S. Li et al., J. Comput. Chem. 23, 238 (2002); J. Chem. Phys. 125, 074109 (2006)]. The 2-RDMs of individual molecular fragments within a molecule are determined, and selected portions of these 2-RDMs are recombined to yield an accurate approximation to the correlation energy of the entire molecule. In addition to extending CIM to the parametric 2-RDM method, we (i) suggest a more systematic selection of atomic-orbital domains than that presented in previous CIM studies and (ii) generalize the CIM method for open-shell quantum systems. The resulting method is tested with a series of polyacetylene molecules, water clusters, and diazobenzene derivatives in minimal and nonminimal basis sets. Calculations show that the computational cost of the method scales linearly with system size. We also compute hydrogen-abstraction energies for a series of hydroxyurea derivatives. Abstraction of hydrogen from hydroxyurea is thought to be a key step in its treatment of sickle cell anemia; the design of hydroxyurea derivatives that oxidize more rapidly is one approach to devising more effective treatments.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.osti.gov/scitech/biblio/496837','SCIGOV-STC'); return false;" href="https://www.osti.gov/scitech/biblio/496837"><span><span class="hlt">Local</span> <span class="hlt">Electronic</span> Structure of a Single Magnetic Impurity in a Superconductor</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Flatte, M.E.; Byers, J.M.</p> <p>1997-05-01</p> <p>We present the first three-dimensional, self-consistent calculation of the <span class="hlt">electronic</span> structure near a strong classical magnetic impurity in a superconductor. <span class="hlt">Localized</span> excited states are found within the energy gap which are half <span class="hlt">electron</span> and half hole. The spatial structure of the positive-frequency (electronlike) spectral weight (or <span class="hlt">local</span> density of states) can differ strongly from that of the negative frequency (holelike) spectral weight. The effect of the impurity on the continuum states above the energy gap is calculated with good spectral resolution for the first time. For sufficiently strong impurity potentials, the order parameter may change sign at the impurity site. {copyright} {ital 1997} {ital The American Physical Society}</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017IJMPB..3150146C','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017IJMPB..3150146C"><span>Robust and controllable <span class="hlt">electronic</span> <span class="hlt">local</span> transports in armchair silicene nanoribbons under a perpendicular electric field</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Chen, Xiongwen; Shi, Zhengang; Chen, Baoju; Song, Kehui</p> <p>2017-08-01</p> <p>We study the <span class="hlt">electronic</span> <span class="hlt">local</span> distribution and transports in pristine armchair-edge silicene nanoribbons (ASiNRs) based on the tight-binding approximation. By calculating the <span class="hlt">local</span> densities of states at different sites and the bond current between two adjacent sites, we show that comparing to the pristine armchair-edge graphene nanoribbons, a similar “3j” rule and multiple low-<span class="hlt">electron</span> transport channels exist in the pristine (3p + 2)-ASiNRs. However, differently, they are controllable to appear and disappear by applying an electric field perpendicular to the ribbon plane. Therefore, one can manipulate the semiconducting channels and realize the current switch “on/off,” unchanging their structures. Moreover, the results are robust against the edge-passivation and a few structural defects, which ensures their stability for the practical application in the silicene-based device.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2011Nanot..22V5707K','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2011Nanot..22V5707K"><span><span class="hlt">Local</span> temperature measurements on nanoscale materials using a movable nanothermocouple assembled in a transmission <span class="hlt">electron</span> microscope</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Kawamoto, Naoyuki; Wang, Ming-Sheng; Wei, Xianlong; Tang, Dai-Ming; Murakami, Yasukazu; Shindo, Daisuke; Mitome, Masanori; Golberg, Dmitri</p> <p>2011-12-01</p> <p>A nanoscale thermocouple consisting of merged Cu and Cu-Ni tips is developed for <span class="hlt">local</span> temperature measurements on advanced nanomaterials by using a probing technique in a high-resolution transmission <span class="hlt">electron</span> microscope (TEM) equipped with a double probe scanning tunneling microcopy (STM) unit. The fabricated nanothermocouple works as the so-called T-type thermocouple and displays a quick response and high spatial and thermal resolutions. A generated thermoelectromotive force which reflects rapid temperature changes controlled by <span class="hlt">electron</span> beam intensity alternations on a metal nanoelectrode proves the technique's usefulness for high-precision <span class="hlt">local</span> temperature measurements. The developed method demonstrates the effectiveness while also measuring temperature changes in Joule heated multi-walled carbon nanotubes (CNTs) and in a modeled electrical conductive composite nanosystem.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4489234','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4489234"><span><span class="hlt">Localize</span>.pytom: a modern webserver for cryo-<span class="hlt">electron</span> tomography</span></a></p> <p><a target="_blank" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Hrabe, Thomas</p> <p>2015-01-01</p> <p><span class="hlt">Localize</span>.pytom, available through http://<span class="hlt">localize</span>.pytom.org is a webserver for the <span class="hlt">localize</span> module in the PyTom package. It is a free website and open to all users and there is no login requirement. The server accepts tomograms as they are imaged and reconstructed by Cryo-<span class="hlt">Electron</span> Tomography (CET) and returns densities and coordinates of candidate-macromolecules in the tomogram. <span class="hlt">Localization</span> of macromolecules in cryo-<span class="hlt">electron</span> tomograms is one of the key procedures to unravel structural features of imaged macromolecules. Positions of <span class="hlt">localized</span> molecules are further used for structural analysis by single particle procedures such as fine alignment, averaging and classification. Accurate <span class="hlt">localization</span> can be furthermore used to generate molecular atlases of whole cells. <span class="hlt">Localization</span> uses a cross-correlation-based score and requires a reference volume as input. A reference can either be a previously detected macromolecular structure or extrapolated on the server from a specific PDB chain. Users have the option to use either coarse or fine angular sampling strategies based on uniformly distributed rotations and to accurately compensate for the CET common ‘Missing Wedge’ artefact during sampling. After completion, all candidate macromolecules cut out from the tomogram are available for download. Their coordinates are stored and available in XML format, which can be easily integrated into successive analysis steps in other software. A pre-computed average of the first one hundred macromolecules is also available for immediate download, and the user has the option to further analyse the average, based on the detected score distribution in a novel web-density viewer. PMID:25934806</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/1997PhRvA..56..290H','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/1997PhRvA..56..290H"><span><span class="hlt">Local</span> correlation energies of two-<span class="hlt">electron</span> atoms and model systems</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Huang, Chien-Jung; Umrigar, C. J.</p> <p>1997-07-01</p> <p>We present nearly <span class="hlt">local</span> definitions of correlation energy density, and its potential and kinetic components, and evaluate them for several two-<span class="hlt">electron</span> systems. This information should provide valuable guidance in constructing better correlation functionals than those in common use. In addition, we demonstrate that the quantum chemistry and the density-functional definitions of the correlation energy rapidly approach one another as the atomic number increases.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://www.dtic.mil/docs/citations/ADA574917','DTIC-ST'); return false;" href="http://www.dtic.mil/docs/citations/ADA574917"><span>Preparation of Cells for Assessing Ultrastructural <span class="hlt">Localization</span> of Nanoparticles with Transmission <span class="hlt">Electron</span> Microscopy</span></a></p> <p><a target="_blank" href="http://www.dtic.mil/">DTIC Science & Technology</a></p> <p></p> <p>2010-01-01</p> <p>cells for assessing ultrastructural <span class="hlt">localization</span> of nanoparticles with transmission <span class="hlt">electron</span> microscopy Amanda M Schrand1, John J Schlager1, Liming ...without significant shrinkage artifacts, favorable staining characteristics and stable sections that can withstand the intense heat and vacuum of the...simply use manual advancement.  crItIcal The ultramicrotome should be properly assembled on a solid table (e.g., slate or concrete ) in an area</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016APS..MAR.H7001F','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016APS..MAR.H7001F"><span>Anomalous organic magnetoresistance from competing carrier-spin-dependent interactions with <span class="hlt">localized</span> <span class="hlt">electronic</span> and nuclear spins</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Flatté, Michael E.</p> <p></p> <p>Transport of carriers through disordered <span class="hlt">electronic</span> energy landscapes occurs via hopping or tunneling through various sites, and can enhance the effects of carrier spin dynamics on the transport. When incoherent hopping preserves the spin orientation of carriers, the magnetic-field-dependent correlations between pairs of spins influence the charge conductivity of the material. Examples of these phenomena have been identified in hopping transport in organic semiconductors and colloidal quantum dots, as well as tunneling through oxide barriers in complex oxide devices, among other materials. The resulting room-temperature magnetic field effects on the conductivity or electroluminescence require external fields of only a few milliTesla. These magnetic field effects can be dramatically modified by changes in the <span class="hlt">local</span> spin environment. Recent theoretical and experimental work has identified a regime for low-field magnetoresistance in organic semiconductors in which the spin-relaxing effects of <span class="hlt">localized</span> nuclear spins and <span class="hlt">electronic</span> spins interfere1. The regime is studied experimentally by the controlled addition of <span class="hlt">localized</span> <span class="hlt">electronic</span> spins, through the addition of a stable free radical (galvinoxyl) to a material (MEH-PPV) that exhibits substantial room-temperature magnetoresistance (20 initially suppressed by the doping, as the <span class="hlt">localized</span> <span class="hlt">electronic</span> spin mixes one of the two spins whose correlation controls the transport. At intermediate doping, when one spin is fully decohered but the other is not, there is a regime where the magnetoresistance is insensitive to the doping level. For much greater doping concentrations the magnetoresistance is fully suppressed as both spins that control the charge conductivity of the material are mixed. The behavior is described within a theoretical model describing the effect of carrier spin dynamics on the current. Generalizations to amorphous and other disordered crystalline semiconductors will also be described. This work was</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017PhyA..484..465K','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017PhyA..484..465K"><span>Modeling of possible <span class="hlt">localized</span> <span class="hlt">electron</span> flux in cosmic rays with Alpha Magnetic Spectrometer measurements</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Kwang-Hua, Chu Rainer</p> <p>2017-10-01</p> <p>Discrete quantum Boltzmann model together with the introduction of an external-field-tuned orientation parameter as well as the acoustic analog are adopted to study the possible <span class="hlt">localization</span> of <span class="hlt">electron</span> (fermion) flux in cosmic rays considering the precision measurement with the Alpha Magnetic Spectrometer (AMS) on the International Space Station (ISS). Our approximate results match qualitatively with those data measured with the AMS on the ISS.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.osti.gov/scitech/biblio/1111168','SCIGOV-STC'); return false;" href="https://www.osti.gov/scitech/biblio/1111168"><span><span class="hlt">Local</span> Structure, <span class="hlt">Electronic</span> Behavior, and Electrocatalytic Reactivity of CO-Reduced Platinum-Iron Oxide Nanoparticles</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Duchesne, Paul N.; Chen, Guangxu; Zheng, Nanfeng; Zhang, Peng</p> <p>2014-02-18</p> <p>A series of platinum–iron oxide nanoparticles was synthesized using a “clean” CO-reduction method that employed different ratios of Pt-Fe precursor salts in oleylamine at elevated temperatures. High-resolution transmission <span class="hlt">electron</span> microscopy (HRTEM) and energy-dispersive X-ray spectroscopy (EDS) studies revealed that nearly monodisperse (i.e., with relative standard deviations of less than 15%) nanoparticles with mean diameters of 3.5–4.4 nm and varied elemental compositions (Pt<sub>54</sub>Fe<sub>46</sub> Pt<sub>70</sub>Fe<sub>30</sub>, and Pt<sub>87</sub>Fe<sub>13</sub>) were obtained. X-ray absorption near-edge structure (XANES) and extended X-ray absorption fine structure (EXAFS) measurements at the Pt L<sub>3</sub>- and Fe K-edges revealed that these nanoparticles all consisted of a Pt core with amorphous iron oxide on the surface. Furthermore, it was observed that the <span class="hlt">local</span> structure (e.g., Pt–Pt bond distance and coordination number) and <span class="hlt">electronic</span> behavior of the Pt–FeO nanoparticles (e.g., Pt d <span class="hlt">electron</span> density and Fe valence state) are dependent on the Pt-Fe precursor ratios used in their synthesis. Quantum mechanical ab initio calculations were employed to interpret the results from X-ray spectroscopy and help elucidate the relationships between <span class="hlt">local</span> structure and <span class="hlt">electronic</span> properties in the nanoparticle samples. Finally, the surface reactivity of these nanoparticles in the oxygen reduction reaction (ORR) was explored, demonstrating higher electrocatalytic activity for all three platinum–iron oxide samples in comparison with a commercial Pt catalyst. The surface reactivity was also found to be sensitive to the Pt-Fe ratios of the nanoparticles and could be correlated with their <span class="hlt">local</span> structure and <span class="hlt">electronic</span> behavior.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.osti.gov/scitech/biblio/21120374','SCIGOV-STC'); return false;" href="https://www.osti.gov/scitech/biblio/21120374"><span>Relationship between edge <span class="hlt">localized</span> mode severity and <span class="hlt">electron</span> transport in the National Spherical Torus Experiment</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Tritz, K.; Stutman, D.; Delgado-Aparicio, L.; Finkenthal, M.; Kaye, S.; Bell, R.; LeBlanc, B.; Mazzucato, E.; Park, H.; Smith, D. R.; Maingi, R.; Sabbagh, S.; Domier, C. W.; Luhmann, N. C. Jr.; Lee, W.</p> <p>2008-05-15</p> <p>In the National Spherical Torus Experiment [J. Menard et al., Nucl. Fusion 47, S645 (2007)], 'giant' edge <span class="hlt">localized</span> modes (ELMs) can occur resulting in a loss of plasma stored energy of up to 30%. These events are distinct from type I ELMs, whose energy loss is typically 4-10%, and they are accompanied by a cold pulse that causes a global decrease in the <span class="hlt">electron</span> temperature profile. Estimates of the <span class="hlt">electron</span> thermal transport during the cold pulses show a large enhancement over the underlying cross-field thermal diffusivity, {chi}{sub e}, of up to several tens of m{sup 2}/s. Following the ELM, short-wavelength fluctuations increase in the plasma edge and core, corresponding to an increase in the <span class="hlt">electron</span> temperature gradient from the propagating cold pulse. Fast <span class="hlt">electron</span> temperature measurements indicate that the normalized <span class="hlt">electron</span> temperature scale length, R/L{sub Te}, reaches the threshold value for instability predicted by a fit to linear stability calculations. This is observed on time scales that match the growth of the high-k fluctuations in the plasma core, indicating that the enhanced {chi}{sub e} and energy loss from the 'giant' ELM appears to be related to critical gradient physics and the destabilization of <span class="hlt">electron</span> temperature gradient modes.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.osti.gov/scitech/biblio/1015042','SCIGOV-STC'); return false;" href="https://www.osti.gov/scitech/biblio/1015042"><span>Relationship between edge <span class="hlt">localized</span> mode severity and <span class="hlt">electron</span> transport in the National Spherical Torus Experiment</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Tritz, K.; Kaye, S.; Maingi, R.; Sabbagh, S. A.; Stutman, D.; Bell, R. E.; Delgado-Aparicio, L.; Domier, C. W.; Finkenthal, M.; LeBlanc, B; Lee, W.; Luhmann, N. C.; Mazzucato, E.; Park, H.; Smith, D. R.</p> <p>2008-01-01</p> <p>n the National Spherical Torus Experiment [J. Menard , Nucl. Fusion 47, S645 (2007)], "giant" edge <span class="hlt">localized</span> modes (ELMs) can occur resulting in a loss of plasma stored energy of up to 30%. These events are distinct from type I ELMs, whose energy loss is typically 4-10%, and they are accompanied by a cold pulse that causes a global decrease in the <span class="hlt">electron</span> temperature profile. Estimates of the <span class="hlt">electron</span> thermal transport during the cold pulses show a large enhancement over the underlying cross-field thermal diffusivity, chi(e), of up to several tens of m(2)/s. Following the ELM, short-wavelength fluctuations increase in the plasma edge and core, corresponding to an increase in the <span class="hlt">electron</span> temperature gradient from the propagating cold pulse. Fast <span class="hlt">electron</span> temperature measurements indicate that the normalized <span class="hlt">electron</span> temperature scale length, R/L-Te, reaches the threshold value for instability predicted by a fit to linear stability calculations. This is observed on time scales that match the growth of the high-k fluctuations in the plasma core, indicating that the enhanced chi(e) and energy loss from the "giant" ELM appears to be related to critical gradient physics and the destabilization of <span class="hlt">electron</span> temperature gradient modes. (C) 2008 American Institute of Physics.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2008PhPl...15e6119T','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2008PhPl...15e6119T"><span>Relationship between edge <span class="hlt">localized</span> mode severity and <span class="hlt">electron</span> transport in the National Spherical Torus Experimenta)</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Tritz, K.; Kaye, S.; Maingi, R.; Sabbagh, S.; Stutman, D.; Bell, R.; Delgado-Aparicio, L.; Domier, C. W.; Finkenthal, M.; LeBlanc, B.; Lee, W.; Luhmann, N. C.; Mazzucato, E.; Park, H.; Smith, D. R.</p> <p>2008-05-01</p> <p>In the National Spherical Torus Experiment [J. Menard et al., Nucl. Fusion 47, S645 (2007)], "giant" edge <span class="hlt">localized</span> modes (ELMs) can occur resulting in a loss of plasma stored energy of up to 30%. These events are distinct from type I ELMs, whose energy loss is typically 4-10%, and they are accompanied by a cold pulse that causes a global decrease in the <span class="hlt">electron</span> temperature profile. Estimates of the <span class="hlt">electron</span> thermal transport during the cold pulses show a large enhancement over the underlying cross-field thermal diffusivity, χe, of up to several tens of m2/s. Following the ELM, short-wavelength fluctuations increase in the plasma edge and core, corresponding to an increase in the <span class="hlt">electron</span> temperature gradient from the propagating cold pulse. Fast <span class="hlt">electron</span> temperature measurements indicate that the normalized <span class="hlt">electron</span> temperature scale length, R /LTe, reaches the threshold value for instability predicted by a fit to linear stability calculations. This is observed on time scales that match the growth of the high-k fluctuations in the plasma core, indicating that the enhanced χe and energy loss from the "giant" ELM appears to be related to critical gradient physics and the destabilization of <span class="hlt">electron</span> temperature gradient modes.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016CoPhC.209..116P','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016CoPhC.209..116P"><span>EPW: <span class="hlt">Electron</span>-phonon coupling, transport and superconducting properties using maximally <span class="hlt">localized</span> Wannier functions</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Poncé, S.; Margine, E. R.; Verdi, C.; Giustino, F.</p> <p>2016-12-01</p> <p>The EPW (<span class="hlt">Electron</span>-Phonon coupling using Wannier functions) software is a Fortran90 code that uses density-functional perturbation theory and maximally <span class="hlt">localized</span> Wannier functions for computing <span class="hlt">electron</span>-phonon couplings and related properties in solids accurately and efficiently. The EPW v4 program can be used to compute <span class="hlt">electron</span> and phonon self-energies, linewidths, <span class="hlt">electron</span>-phonon scattering rates, <span class="hlt">electron</span>-phonon coupling strengths, transport spectral functions, <span class="hlt">electronic</span> velocities, resistivity, anisotropic superconducting gaps and spectral functions within the Migdal-Eliashberg theory. The code now supports spin-orbit coupling, time-reversal symmetry in non-centrosymmetric crystals, polar materials, and k and q-point parallelization. Considerable effort was dedicated to optimization and parallelization, achieving almost a ten times speedup with respect to previous releases. A computer test farm was implemented to ensure stability and portability of the code on the most popular compilers and architectures. Since April 2016, version 4 of the EPW code is fully integrated in and distributed with the Quantum ESPRESSO package, and can be downloaded through QE-forge at http://qe-forge.org/gf/project/q-e.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.osti.gov/scitech/biblio/1064959','SCIGOV-STC'); return false;" href="https://www.osti.gov/scitech/biblio/1064959"><span>Time-dependent behavior of a <span class="hlt">localized</span> <span class="hlt">electron</span> at a heterojunction boundary of graphene</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Jang, Min S.; Kim, Hyungjun; Atwater, Harry A.; Goddard, William A.</p> <p>2010-01-01</p> <p>We develop a finite-difference time-domain(FDTD) method for simulating the dynamics of graphene <span class="hlt">electrons</span>, denoted GraFDTD. We then use GraFDTD to study the temporal behavior of a single <span class="hlt">localized</span> <span class="hlt">electron</span> 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 <span class="hlt">electronic</span> devices analogous to optical devices. GraFDTD should be useful for studying such complex time-dependent behavior of a quasiparticle in graphene.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/1996APS..OFM..CE04D','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/1996APS..OFM..CE04D"><span><span class="hlt">Electron</span> states in amorphous semiconductor : <span class="hlt">localized</span> to extended transition and transport</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Dong, Jianjun; Drabold, David A.</p> <p>1996-11-01</p> <p>We study the <span class="hlt">electron</span> states in a large (4096 atoms) and realistic model of amorphous diamond (B. Djordjevic, M. Thorpe and F. Wooten, Phys. Rev. B, 52) 5685, (1995) . We compute the full <span class="hlt">electronic</span> density of states with the linear scaling Maximum Entropy method footnote D. A. Drabold and O. F. Sankey, Phys. Rev. Lett., 52 3631, (1993) . Approximately exponential band tails are observed at both valence- and conduction-bandfootnote J. Dong and D.A. Drabold, ( to appear ) Phys. Rev. B, 54 , (1996) . We also explicitly compute more than 700 <span class="hlt">electron</span> states in the vincity of band-gap using a modified Lanczos approach. Within finite-size limitations, the <span class="hlt">localized</span> to extended transition is illustrated for this model. The zero temperature dc conductivity is estimated from the Kubo formula.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.osti.gov/scitech/biblio/21052791','SCIGOV-STC'); return false;" href="https://www.osti.gov/scitech/biblio/21052791"><span><span class="hlt">Local</span> structural and compositional determination via <span class="hlt">electron</span> scattering: Heterogeneous Cu(001)-Pd surface alloy</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Sun, J.; Pohl, K.; Hannon, J. B.; Kellogg, G. L.</p> <p>2007-11-15</p> <p>We have measured the structure and chemical composition of ultrathin Pd films on Cu(001) using low-energy <span class="hlt">electron</span> microscopy. We determine their <span class="hlt">local</span> stoichiometry and structure, with 8.5 nm lateral spatial resolution, by quantitatively analyzing the scattered <span class="hlt">electron</span> intensity and comparing it to dynamical scattering calculations, as in a conventional low-energy <span class="hlt">electron</span> diffraction (LEED)-IV analysis. The average t-matrix approximation is used to calculate the total atomic scattering matrices for this random substitutional alloy. As in the traditional LEED analysis, the structural and compositional parameters are determined by comparing the computed diffraction intensity of a trial structure to that measured in experiment. Monte Carlo simulations show how the spatial and compositional inhomogeneity can be used to understand the energetics of Cu-Pd bonding.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.osti.gov/scitech/biblio/22493658','SCIGOV-STC'); return false;" href="https://www.osti.gov/scitech/biblio/22493658"><span><span class="hlt">Local</span> conditions for the Pauli potential in order to yield self-consistent <span class="hlt">electron</span> densities exhibiting proper atomic shell structure</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Finzel, Kati</p> <p>2016-01-21</p> <p>The <span class="hlt">local</span> conditions for the Pauli potential that are necessary in order to yield self-consistent <span class="hlt">electron</span> densities from orbital-free calculations are investigated for approximations that are expressed with the help of a <span class="hlt">local</span> position variable. It is shown that those <span class="hlt">local</span> conditions also apply when the Pauli potential is given in terms of the <span class="hlt">electron</span> density. An explicit formula for the Ne atom is given, preserving the <span class="hlt">local</span> conditions during the iterative procedure. The resulting orbital-free <span class="hlt">electron</span> density exhibits proper shell structure behavior and is in close agreement with the Kohn-Sham <span class="hlt">electron</span> density. This study demonstrates that it is possible to obtain self-consistent orbital-free <span class="hlt">electron</span> densities with proper atomic shell structure from simple one-point approximations for the Pauli potential at <span class="hlt">local</span> density level.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/23261400','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/23261400"><span><span class="hlt">Localization</span> of fluorescently labeled structures in frozen-hydrated samples using integrated light <span class="hlt">electron</span> microscopy.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Faas, F G A; Bárcena, M; Agronskaia, A V; Gerritsen, H C; Moscicka, K B; Diebolder, C A; van Driel, L F; Limpens, R W A L; Bos, E; Ravelli, R B G; Koning, R I; Koster, A J</p> <p>2013-03-01</p> <p>Correlative light and <span class="hlt">electron</span> microscopy is an increasingly popular technique to study complex biological systems at various levels of resolution. Fluorescence microscopy can be employed to scan large areas to <span class="hlt">localize</span> regions of interest which are then analyzed by <span class="hlt">electron</span> microscopy to obtain morphological and structural information from a selected field of view at nm-scale resolution. Previously, an integrated approach to room temperature correlative microscopy was described. Combined use of light and <span class="hlt">electron</span> microscopy within one instrument greatly simplifies sample handling, avoids cumbersome experimental overheads, simplifies navigation between the two modalities, and improves the success rate of image correlation. Here, an integrated approach for correlative microscopy under cryogenic conditions is presented. Its advantages over the room temperature approach include safeguarding the native hydrated state of the biological specimen, preservation of the fluorescence signal without risk of quenching due to heavy atom stains, and reduced photo bleaching. The potential of cryo integrated light and <span class="hlt">electron</span> microscopy is demonstrated for the detection of viable bacteria, the study of in vitro polymerized microtubules, the <span class="hlt">localization</span> of mitochondria in mouse embryonic fibroblasts, and for a search into virus-induced intracellular membrane modifications within mammalian cells.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4594303','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4594303"><span>Femtosecond X-ray absorption study of <span class="hlt">electron</span> <span class="hlt">localization</span> in photoexcited anatase TiO2</span></a></p> <p><a target="_blank" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Santomauro, F. G.; Lübcke, A.; Rittmann, J.; Baldini, E.; Ferrer, A.; Silatani, M.; Zimmermann, P.; Grübel, S.; Johnson, J. A.; Mariager, S. O.; Beaud, P.; Grolimund, D.; Borca, C.; Ingold, G.; Johnson, S.L.; Chergui, M.</p> <p>2015-01-01</p> <p>Transition metal oxides are among the most promising solar materials, whose properties rely on the generation, transport and trapping of charge carriers (<span class="hlt">electrons</span> and holes). Identifying the latter’s dynamics at room temperature requires tools that combine elemental and structural sensitivity, with the atomic scale resolution of time (femtoseconds, fs). Here, we use fs Ti K-edge X-ray absorption spectroscopy (XAS) upon 3.49 eV (355 nm) excitation of aqueous colloidal anatase titanium dioxide nanoparticles to probe the trapping dynamics of photogenerated <span class="hlt">electrons</span>. We find that their <span class="hlt">localization</span> at Titanium atoms occurs in <300 fs, forming Ti3+ centres, in or near the unit cell where the <span class="hlt">electron</span> is created. We conclude that <span class="hlt">electron</span> <span class="hlt">localization</span> is due to its trapping at pentacoordinated sites, mostly present in the surface shell region. The present demonstration of fs hard X-ray absorption capabilities opens the way to a detailed description of the charge carrier dynamics in transition metal oxides. PMID:26437873</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_12");'>12</a></li> <li><a href="#" onclick='return showDiv("page_13");'>13</a></li> <li class="active"><span>14</span></li> <li><a href="#" onclick='return showDiv("page_15");'>15</a></li> <li><a href="#" onclick='return showDiv("page_16");'>16</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_14 --> <div id="page_15" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_13");'>13</a></li> <li><a href="#" onclick='return showDiv("page_14");'>14</a></li> <li class="active"><span>15</span></li> <li><a href="#" onclick='return showDiv("page_16");'>16</a></li> <li><a href="#" onclick='return showDiv("page_17");'>17</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="281"> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2004APS..MARH30006O','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2004APS..MARH30006O"><span><span class="hlt">Local</span> <span class="hlt">Electronic</span> Characterization of Conjugated Polymer Films using Conducting-Probe Atomic Force Microscopy</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>O'Brien, G.; Quinn, A. J.; Redmond, G.</p> <p>2004-03-01</p> <p>Correlation of <span class="hlt">local</span> <span class="hlt">electronic</span> properties with film morphology is a key challenge to be addressed in order to understand (and therefore control) charge injection, transport and recombination in organic <span class="hlt">electronic</span> devices. We present a flexible method, Conducting-Probe Atomic Force Microscopy (CP-AFM), which can be used as a <span class="hlt">local</span> probe of both film morphology and spectroscopy. MEH-PPV layers with thickness values comparable to films used in organic <span class="hlt">electronic</span> devices (60 nm) are spun onto gold substrates under inert conditions. Tip-height vs bias voltage (z-V) sweeps taken at constant tunnel current (50 pA) show clear charge injection thresholds at both positive and negative bias (E_+,E_-). Statistical analysis of measured single-particle gap energies, E_gsp=E_+-E_-, reveals a distribution across the surface with peaks corresponding to (extracted) exciton binding energies of 100 meV and 400 meV respectively. Analysis of measured E_gsp values for films prepared under ambient conditions show a large density of mid-gap states confirming that the preparation route is critical for organic <span class="hlt">electronic</span> devices.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/24032458','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/24032458"><span><span class="hlt">Local</span> atomic and <span class="hlt">electronic</span> structure of boron chemical doping in monolayer graphene.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Zhao, Liuyan; Levendorf, Mark; Goncher, Scott; Schiros, Theanne; Pálová, Lucia; Zabet-Khosousi, Amir; Rim, Kwang Taeg; Gutiérrez, Christopher; Nordlund, Dennis; Jaye, Cherno; Hybertsen, Mark; Reichman, David; Flynn, George W; Park, Jiwoong; Pasupathy, Abhay N</p> <p>2013-10-09</p> <p>We use scanning tunneling microscopy and X-ray spectroscopy to characterize the atomic and <span class="hlt">electronic</span> structure of boron-doped and nitrogen-doped graphene created by chemical vapor deposition on copper substrates. Microscopic measurements show that boron, like nitrogen, incorporates into the carbon lattice primarily in the graphitic form and contributes ~0.5 carriers into the graphene sheet per dopant. Density functional theory calculations indicate that boron dopants interact strongly with the underlying copper substrate while nitrogen dopants do not. The <span class="hlt">local</span> bonding differences between graphitic boron and nitrogen dopants lead to large scale differences in dopant distribution. The distribution of dopants is observed to be completely random in the case of boron, while nitrogen displays strong sublattice clustering. Structurally, nitrogen-doped graphene is relatively defect-free while boron-doped graphene films show a large number of Stone-Wales defects. These defects create <span class="hlt">local</span> <span class="hlt">electronic</span> resonances and cause <span class="hlt">electronic</span> scattering, but do not <span class="hlt">electronically</span> dope the graphene film.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://www.osti.gov/scitech/servlets/purl/1341858','SCIGOV-STC'); return false;" href="http://www.osti.gov/scitech/servlets/purl/1341858"><span>The roles of 4f- and <span class="hlt">5</span><span class="hlt">f</span>-orbitals in bonding: A magnetochemical, crystal field, density functional theory, and multi-reference wavefunction study</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Lukens, Wayne W.; Speldrich, Manfred; Yang, Ping; Duignan, T. J.; Autschbach, J.; Kogerler, P.</p> <p>2016-05-31</p> <p>The <span class="hlt">electronic</span> structures of 4f<sup>3</sup>/<span class="hlt">5</span><span class="hlt">f</span><sup>3</sup> Cp"<sub>3</sub>M and Cp"<sub>3</sub>M·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 <span class="hlt">electron</span> 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 <span class="hlt">electronic</span> structure analysis derived from the crystal-field calculations. The results highlight that the <span class="hlt">5</span><span class="hlt">f</span>-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 <span class="hlt">5</span><span class="hlt">f</span> to π* donation for the uranium complexes. As a result, while interaction with the isocyanide π*-orbitals lowers the energies of the <span class="hlt">5</span><span class="hlt">f</span><sub>xz<sup>2</sup></sub> and <span class="hlt">5</span><span class="hlt">f</span><sub>yz<sup>2-</sup></sub>orbitals, spin–orbit coupling greatly reduces the population of <span class="hlt">5</span><span class="hlt">f</span><sub>xz<sup>2</sup></sub> and <span class="hlt">5</span><span class="hlt">f</span><sub>yz<sup>2</sup></sub> in the ground state.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/24484163','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/24484163"><span>Non-Landau damping of magnetic excitations in systems with <span class="hlt">localized</span> and itinerant <span class="hlt">electrons</span>.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Chubukov, Andrey V; Betouras, Joseph J; Efremov, Dmitry V</p> <p>2014-01-24</p> <p>We discuss the form of the damping of magnetic excitations in a metal near a ferromagnetic instability. The paramagnon theory predicts that the damping term should have the form γ(q,Ω)∝Ω/Γ(q), with Γ(q)∝q (the Landau damping). However, the experiments on uranium metallic compounds UGe2 and UCoGe showed that Γ(q) is essentially independent of q. A nonzero γ(q=0,Ω) is impossible in systems with one type of carrier (either <span class="hlt">localized</span> or itinerant) because it would violate the spin conservation. It has been conjectured recently that a near-constant Γ(q) in UGe2 and UCoGe may be due to the presence of both <span class="hlt">localized</span> and itinerant <span class="hlt">electrons</span> in these materials, with ferromagnetism involving predominantly <span class="hlt">localized</span> spins. We present the microscopic analysis of the damping of near-critical <span class="hlt">localized</span> excitations due to interaction with itinerant carriers. We show explicitly how the presence of two types of <span class="hlt">electrons</span> breaks the cancellation between the contributions to Γ(0) from the self-energy and vertex correction insertions into the spin polarization bubble. We compare our theory with the available experimental data.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://hdl.handle.net/2060/19720025133','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/19720025133"><span>Latitude and <span class="hlt">local</span> time dependence of precipitated low energy <span class="hlt">electrons</span> at high latitudes</span></a></p> <p><a target="_blank" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Gustafsson, G.</p> <p>1972-01-01</p> <p>Data from particle detectors on board the satellite OGO-4 were used to study the precipitation of <span class="hlt">electrons</span> in the energy range 0.7 to 24 keV. The latitude dependence of these particles in the <span class="hlt">local</span> time region from midnight to dawn was investigated in detail. The analysis shows that the precipitation of particles of energies 2.3 to 24 keV is centered at an invariant latitude of about 68 deg at midnight with a clear shift in latitude with increasing <span class="hlt">local</span> time and this shift is more pronounced for lower energies. The highest fluxes of particles in this energy interval are measured at midnight and they decrease rapidly with <span class="hlt">local</span> time. The data in the energy range 2.3 to 24 keV support a theory where particles are injected in the midnight region from the tail gaining energy due to a betatron process and then drift eastwards in a combined electric and magnetic field. The main part of the <span class="hlt">electrons</span> at 0.7 keV show a different behavior. They seem to undergo an acceleration process which is rather <span class="hlt">local</span>, sometimes giving field aligned fluxes which may be super-imposed on the background precipitation.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.osti.gov/scitech/biblio/1136372','SCIGOV-STC'); return false;" href="https://www.osti.gov/scitech/biblio/1136372"><span>Scale-adaptive tensor algebra for <span class="hlt">local</span> many-body methods of <span class="hlt">electronic</span> structure theory</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Liakh, Dmitry I</p> <p>2014-01-01</p> <p>While the formalism of multiresolution analysis (MRA), based on wavelets and adaptive integral representations of operators, is actively progressing in <span class="hlt">electronic</span> structure theory (mostly on the independent-particle level and, recently, second-order perturbation theory), the concepts of multiresolution and adaptivity can also be utilized within the traditional formulation of correlated (many-particle) theory which is based on second quantization and the corresponding (generally nonorthogonal) tensor algebra. In this paper, we present a formalism called scale-adaptive tensor algebra (SATA) which exploits an adaptive representation of tensors of many-body operators via the <span class="hlt">local</span> adjustment of the basis set quality. Given a series of <span class="hlt">locally</span> supported fragment bases of a progressively lower quality, we formulate the explicit rules for tensor algebra operations dealing with adaptively resolved tensor operands. The formalism suggested is expected to enhance the applicability and reliability of <span class="hlt">local</span> correlated many-body methods of <span class="hlt">electronic</span> structure theory, especially those directly based on atomic orbitals (or any other <span class="hlt">localized</span> basis functions).</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://ntrs.nasa.gov/search.jsp?R=20040090113&hterms=peroxidase&qs=Ntx%3Dmode%2Bmatchall%26Ntk%3DAll%26N%3D0%26No%3D20%26Ntt%3Dperoxidase','NASA-TRS'); return false;" href="https://ntrs.nasa.gov/search.jsp?R=20040090113&hterms=peroxidase&qs=Ntx%3Dmode%2Bmatchall%26Ntk%3DAll%26N%3D0%26No%3D20%26Ntt%3Dperoxidase"><span><span class="hlt">Electron</span>-microscopic cytochemical <span class="hlt">localization</span> of diamine and polyamine oxidases in pea and maize tissues</span></a></p> <p><a target="_blank" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Slocum, R. D.; Furey MJ, 3. d.</p> <p>1991-01-01</p> <p>An <span class="hlt">electron</span>-microscopic cytochemical method was used to <span class="hlt">localize</span> diamine oxidase (DAO) in pea and polyamine oxidase (PAO) in maize (Zea mays L.). The method, based on the precipitation of amine-oxidase-generated H2O2 by CeCl3, was shown to be specific for DAO and PAO and permitted their <span class="hlt">localization</span> in plant tissues with a high degree of resolution. Both enzymes are <span class="hlt">localized</span> exclusively in the cell wall. Both DAO- and PAO-activity staining is most intense in the middle lamellar region of the wall and in cells exhibiting highly lignified walls. The oxidases could provide H2O2 for peroxidase-mediated cross-linking reactions in the cell wall and may, in this capacity, play a role in the regulation of plant growth.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4667630','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4667630"><span><span class="hlt">Localized</span> reconstruction of subunits from <span class="hlt">electron</span> cryomicroscopy images of macromolecular complexes</span></a></p> <p><a target="_blank" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Ilca, Serban L.; Kotecha, Abhay; Sun, Xiaoyu; Poranen, Minna M.; Stuart, David I.; Huiskonen, Juha T.</p> <p>2015-01-01</p> <p><span class="hlt">Electron</span> cryomicroscopy can yield near-atomic resolution structures of highly ordered macromolecular complexes. Often however some subunits bind in a flexible manner, have different symmetry from the rest of the complex, or are present in sub-stoichiometric amounts, limiting the attainable resolution. Here we report a general method for the <span class="hlt">localized</span> three-dimensional reconstruction of such subunits. After determining the particle orientations, <span class="hlt">local</span> areas corresponding to the subunits can be extracted and treated as single particles. We demonstrate the method using three examples including a flexible assembly and complexes harbouring subunits with either partial occupancy or mismatched symmetry. Most notably, the method allows accurate fitting of the monomeric RNA-dependent RNA polymerase bound at the threefold axis of symmetry inside a viral capsid, revealing for the first time its exact orientation and interactions with the capsid proteins. <span class="hlt">Localized</span> reconstruction is expected to provide novel biological insights in a range of challenging biological systems. PMID:26534841</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://ntrs.nasa.gov/search.jsp?R=20040090113&hterms=Cerium&qs=Ntx%3Dmode%2Bmatchall%26Ntk%3DAll%26N%3D0%26No%3D60%26Ntt%3DCerium','NASA-TRS'); return false;" href="https://ntrs.nasa.gov/search.jsp?R=20040090113&hterms=Cerium&qs=Ntx%3Dmode%2Bmatchall%26Ntk%3DAll%26N%3D0%26No%3D60%26Ntt%3DCerium"><span><span class="hlt">Electron</span>-microscopic cytochemical <span class="hlt">localization</span> of diamine and polyamine oxidases in pea and maize tissues</span></a></p> <p><a target="_blank" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Slocum, R. D.; Furey MJ, 3. d.</p> <p>1991-01-01</p> <p>An <span class="hlt">electron</span>-microscopic cytochemical method was used to <span class="hlt">localize</span> diamine oxidase (DAO) in pea and polyamine oxidase (PAO) in maize (Zea mays L.). The method, based on the precipitation of amine-oxidase-generated H2O2 by CeCl3, was shown to be specific for DAO and PAO and permitted their <span class="hlt">localization</span> in plant tissues with a high degree of resolution. Both enzymes are <span class="hlt">localized</span> exclusively in the cell wall. Both DAO- and PAO-activity staining is most intense in the middle lamellar region of the wall and in cells exhibiting highly lignified walls. The oxidases could provide H2O2 for peroxidase-mediated cross-linking reactions in the cell wall and may, in this capacity, play a role in the regulation of plant growth.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://www.osti.gov/scitech/servlets/purl/901232','SCIGOV-STC'); return false;" href="http://www.osti.gov/scitech/servlets/purl/901232"><span>Band gap bowing and <span class="hlt">electron</span> <span class="hlt">localization</span> of (GaxIn1-x)N</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Lee, Byounghak; Wang, Lin-Wang</p> <p>2006-05-09</p> <p>The band gap bowing and the <span class="hlt">electron</span> <span class="hlt">localization</span> ofGaxIn1-xN are calculated using both the <span class="hlt">local</span> density approximation (LDA)and screened-exchange <span class="hlt">local</span> density functional (sX-LDA) methods. Thecalculated sX-LDA band gaps are in good agreement with the experimentallyobserved values, with errors of -0.26 and 0.09 eV for bulk GaN and InN,respectively. The LDA band gap errors are 1.33 and 0.81 eV for GaN andInN, in order. In contrast to the gap itself, the band gap bowingparameter is found to be very similar in sX-LDA and LDA. We identify thelocalization of hole states in GaxIn1-xN alloys along In-N-In chains. Thepredicted localizationis stronger in sX-LDA.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4765976','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4765976"><span>Characteristics of <span class="hlt">Local</span> Health Departments Associated with Implementation of <span class="hlt">Electronic</span> Health Records and Other Informatics Systems</span></a></p> <p><a target="_blank" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Leider, Jonathon P.; Castrucci, Brian C.; Williams, Karmen S.; Luo, Huabin</p> <p>2016-01-01</p> <p>Objective Assessing <span class="hlt">local</span> health departments' (LHDs') informatics capacities is important, especially within the context of broader, systems-level health reform. We assessed a nationally representative sample of LHDs' adoption of information systems and the factors associated with adoption and implementation by examining <span class="hlt">electronic</span> health records, health information exchange, immunization registry, <span class="hlt">electronic</span> disease reporting system, and <span class="hlt">electronic</span> laboratory reporting. Methods We used data from the National Association of County and City Health Officials' 2013 National Profile of LHDs. We performed descriptive statistics and multinomial logistic regression for the five implementation-oriented outcome variables of interest, with three levels of implementation (implemented, plan to implement, and no activity). Independent variables included infrastructural and financial capacity and other characteristics associated with informatics capacity. Results Of 505 LHDs that responded to the survey, 69 (13.5%) had implemented health information exchanges, 122 (22.2%) had implemented <span class="hlt">electronic</span> health records, 245 (47.5%) had implemented <span class="hlt">electronic</span> laboratory reporting, 368 (73.0%) had implemented an <span class="hlt">electronic</span> disease reporting system, and 416 (83.8%) had implemented an immunization registry. LHD characteristics associated with health informatics adoption included provision of greater number of clinical services, greater per capita public health expenditures, health information systems specialists on staff, larger population size, decentralized governance system, one or more <span class="hlt">local</span> boards of health, metropolitan jurisdiction, and top executive with more years in the job. Conclusion Many LHDs lack health informatics capacity, particularly in smaller, rural jurisdictions. Cross-jurisdictional sharing, investment in public health informatics infrastructure, and additional training may help address these shortfalls. PMID:26957662</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/28677953','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/28677953"><span>Direct Visualization of <span class="hlt">Local</span> Electromagnetic Field Structures by Scanning Transmission <span class="hlt">Electron</span> Microscopy.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Shibata, Naoya; Findlay, Scott D; Matsumoto, Takao; Kohno, Yuji; Seki, Takehito; Sánchez-Santolino, Gabriel; Ikuhara, Yuichi</p> <p>2017-07-18</p> <p>The functional properties of materials and devices are critically determined by the electromagnetic field structures formed inside them, especially at nanointerface and surface regions, because such structures are strongly associated with the dynamics of <span class="hlt">electrons</span>, holes and ions. To understand the fundamental origin of many exotic properties in modern materials and devices, it is essential to directly characterize <span class="hlt">local</span> electromagnetic field structures at such defect regions, even down to atomic dimensions. In recent years, rapid progress in the development of high-speed area detectors for aberration-corrected scanning transmission <span class="hlt">electron</span> microscopy (STEM) with sub-angstrom spatial resolution has opened new possibilities to directly image such electromagnetic field structures at very high-resolution. In this Account, we give an overview of our recent development of differential phase contrast (DPC) microscopy for aberration-corrected STEM and its application to many materials problems. In recent years, we have developed segmented-type STEM detectors which divide the detector plane into 16 segments and enable simultaneous imaging of 16 STEM images which are sensitive to the positions and angles of transmitted/scattered <span class="hlt">electrons</span> on the detector plane. These detectors also have atomic-resolution imaging capability. Using these segmented-type STEM detectors, we show DPC STEM imaging to be a very powerful tool for directly imaging <span class="hlt">local</span> electromagnetic field structures in materials and devices in real space. For example, DPC STEM can clearly visualize the <span class="hlt">local</span> electric field variation due to the abrupt potential change across a p-n junction in a GaAs semiconductor, which cannot be observed by normal in-focus bright-field or annular type dark-field STEM imaging modes. DPC STEM is also very effective for imaging magnetic field structures in magnetic materials, such as magnetic domains and skyrmions. Moreover, real-time imaging of electromagnetic field structures can</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/19459285','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/19459285"><span>Selected ion flow tube cation-molecule reaction studies and threshold photoelectron photoion coincidence spectroscopy of cyclic-C<span class="hlt">5</span><span class="hlt">F</span>8.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Parkes, Michael A; Ali, Sahangir; Tuckett, Richard P; Mikhailov, Victor A; Mayhew, Chris A</p> <p>2007-10-14</p> <p>The product ion branching ratios and rate coefficients have been measured using a selected ion flow tube (SIFT) at 298 K for the bimolecular reactions of cyclic-C<span class="hlt">5</span><span class="hlt">F</span>8 with several atomic and molecular cations. The majority of reactions occur at the collisional rate calculated by the modified average dipole orientation theory, with the exception of H2O+ for which the reaction efficiency is only 55%. Apart from H2O+ and N+, the similarity of the product ion branching ratios determined from threshold photoelectron photoion coincidence (TPEPICO) and ion-molecule data suggests that long-range <span class="hlt">electron</span> transfer is the dominant mechanism for reactions involving ions with recombination energies between 12 and 17 eV. For N+, the product ion branching ratios are very different to those produced by photoionisation; this result may be explained if some of the N-atom products are formed <span class="hlt">electronically</span> excited. The onset of an ionisation signal of c-C<span class="hlt">5</span><span class="hlt">F</span>8 measured by TPEPICO spectroscopy occurs at 12.25 +/- 0.05 eV. This is much higher than the value of the first adiabatic ionisation energy determined from <span class="hlt">electron</span> ionisation (11.24 +/- 0.10 eV), He (I) photoionisation (11.30 +/- 0.05 eV), and an independent high resolution threshold photoelectron spectrum (11.237 +/- 0.002 eV). The ground <span class="hlt">electronic</span> state of c-C<span class="hlt">5</span><span class="hlt">F</span>8+ has very weak intensity under threshold <span class="hlt">electron</span> conditions. The TPEPICO spectrum of c-C<span class="hlt">5</span><span class="hlt">F</span>8 recorded from 12-23 eV shows detection of the parent ion and the daughter ions C4F6+ and C<span class="hlt">5</span><span class="hlt">F</span>7+, with their appearance energies increasing in this order. Ion yield curves and branching ratios have been determined. Using Gaussian 03, the enthalpy of formation of c-C<span class="hlt">5</span><span class="hlt">F</span>8 at 298 K has been determined to be -1495 kJ mol(-1).</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2008PhRvB..78w5404C','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2008PhRvB..78w5404C"><span><span class="hlt">Localization</span> of <span class="hlt">electronic</span> states in finite ladder models: Participation ratio and <span class="hlt">localization</span> length as measures of the wave-function extension</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Carrillo-Nuñez, H.; Schulz, Peter A.</p> <p>2008-12-01</p> <p>In this work we discuss and compare different definitions for <span class="hlt">localization</span> of <span class="hlt">electronic</span> states in low-dimensional systems. We choose a heuristic model for DNA-like molecules as a system prototype in order to establish ranges of equivalence for the <span class="hlt">localization</span> length obtained from both the conductance and participation ratios. The results suggest also criteria to infer the extension of wave function in mesoscopic systems within the diffusive transport regime as complementary information to the <span class="hlt">localization</span> length.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016APS..MARH11003W','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016APS..MARH11003W"><span>The effects of <span class="hlt">local</span> correlations on the <span class="hlt">electronic</span> structure of FeSe</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Watson, Matthew; Kim, Timur; Haghighirad, Amir; Coldea, Amalia</p> <p></p> <p>FeSe is structurally the simplest of Fe-based superconductors, but its complex and unique properties pose important theoretical questions. One important aspect of the physics of FeSe is the understanding of the strength and effects of <span class="hlt">electronic</span> correlations. In order to explore this, we have performed angle-resolved photo-emission spectroscopy (ARPES) measurements on high quality bulk single crystals of FeSe over a wide range of binding energies, in different scattering geometries and with varying incident photon energies, analysing the quasiparticle renormalisations, scattering rates and degree of coherence. We find that FeSe exhibits moderately strong, orbital-dependent correlation effects which are understood to arise primarily due to <span class="hlt">local</span> <span class="hlt">electron-electron</span> interactions on the Fe sites. We conclude that <span class="hlt">electronic</span> correlations constitute a key ingredient in understanding the <span class="hlt">electronic</span> structure of FeSe. Part of this work was supported by EPSRC, UK (EP/I004475/1, EP/I017836/1). We thank Diamond Light Source for access to Beamline I05.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/19485377','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/19485377"><span>Simulation of NMR data reveals that proteins' <span class="hlt">local</span> structures are stabilized by <span class="hlt">electronic</span> polarization.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Tong, Yan; Ji, Chang G; Mei, Ye; Zhang, John Z H</p> <p>2009-06-24</p> <p>Molecular dynamics simulations of NMR backbone relaxation order parameters have been carried out to investigate the polarization effect on the protein's <span class="hlt">local</span> structure and dynamics for five benchmark proteins (bovine pancreatic trypsin inhibitor, immunoglobulin-binding domain (B1) of streptococcal protein G, bovine apo-calbindin D9K, human interleukin-4 R88Q mutant, and hen egg white lysozyme). In order to isolate the polarization effect from other interaction effects, our study employed both the standard AMBER force field (AMBER03) and polarized protein-specific charges (PPCs) in the MD simulations. The simulated order parameters, employing both the standard nonpolarizable and polarized force fields, are directly compared with experimental data. Our results show that residue-specific order parameters at some specific loop and turn regions are significantly underestimated by the MD simulations using the standard AMBER force field, indicating hyperflexibility of these <span class="hlt">local</span> structures. Detailed analysis of the structures and dynamic motions of individual residues reveals that the hyperflexibility of these <span class="hlt">local</span> structures is largely related to the breaking or weakening of relevant hydrogen bonds. In contrast, the agreement with the experimental results is significantly improved and more stable <span class="hlt">local</span> structures are observed in the MD simulations using the polarized force field. The comparison between theory and experiment provides convincing evidence that intraprotein hydrogen bonds in these regions are stabilized by <span class="hlt">electronic</span> polarization, which is critical to the dynamical stability of these <span class="hlt">local</span> structures in proteins.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/1984PhDT.......152B','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/1984PhDT.......152B"><span><span class="hlt">Electron</span> <span class="hlt">Localization</span> and Superconductivity in Two-Dimensional Metal Film Systems</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Burns, Michael Joseph</p> <p></p> <p>The low temperature electrical transport properties of very thin polycrystalline palladium and palladium-gold films grown on glass or fused quartz, and also the properties of epitaxially grown silver films on germanium (001), have been investigated. These, and other two dimensional <span class="hlt">electronic</span> systems, display a nonmetallic conductivity which has been attributed to <span class="hlt">electron</span> <span class="hlt">localization</span> and/or <span class="hlt">electron-electron</span> interaction effects. According to the various theories, some of the transport properties should display different behaviors, thus allowing one to distinguish between the two effects. Measurements of Pd and Pd-Au film resistivities as a function of temperature, electric and magnetic field, plus the thermopower, were performed on films ranging from 18 to 30 Angstroms in thickness, having resistivities from 600 to 500000 ohms/square at 10(DEGREES)K. The magnetotransport properties imply the presence of strong spin-orbit coupling, although the temperature dependence of the resistivity of these films does not. All 'metallic' samples (resistivities less than 30000 ohms/square) have a material specific thermopower which tends to zero as the temperature goes to zero. Samples whose resistivities increase above 30000 ohms/square have thermopowers which diverge as the temperature approaches zero. Thus the density of states for the <span class="hlt">electronic</span> transport is zero at the Fermi energy (i.e. an energy gap opens in the density of states at 30000 ohms/square) for high -resistivity films. The very thin (2.5 monolayer) silver films epitaxially grown on Ge (001) consist of a monolayer coverage plus isolated three dimensional islands. Below 70(DEGREES)K the conductivity is dominated by the metal film and displays the temperature and electric and magnetic field dependencies characteristic of metallic weak <span class="hlt">localization</span> in two dimensions. Below about 2(DEGREES)K, the resistance drops rapidly in a manner resembling an incomplete superconducting transition. The resistance is restored by</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2010PhDT........26R','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2010PhDT........26R"><span>Photo-<span class="hlt">electron</span> momentum distribution and <span class="hlt">electron</span> <span class="hlt">localization</span> studies from laser-induced atomic and molecular dissociations</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Ray, Dipanwita</p> <p></p> <p>The broad objective of ultrafast strong-field studies is to be able to measure and control atomic and molecular dynamics on a femtosecond timescale. This thesis work has two major themes: (1) Study of high-energy photoelectron distributions from atomic targets. (2) <span class="hlt">Electron</span> <span class="hlt">localization</span> control in atomic and molecular reactions using shaped laser pulses. The first section focuses on the study of photoelectron diffraction patterns of simple atomic targets to understand the target structure. We measure the full vector momentum spectra of high energy photoelectrons from atomic targets (Xe, Ar and Kr) generated by intense laser pulses. The target dependence of the angular distribution of the highest energy photoelectrons as predicted by Quantitative Rescattering Theory (QRS) is explored. More recent developments show target structure information can be retrieved from photoelectrons over a range of energies, from 4Up up to 10Up, independent of the peak intensity at which the photoelectron spectra have been measured. Controlling the fragmentation pathways by manipulating the pulse shape is another major theme of ultrafast science today. In the second section we study the asymmetry of <span class="hlt">electron</span> (and ion) emission from atoms (and molecules) by interaction with asymmetric pulses formed by the superposition of two colors (800 & 400 nm). Xe <span class="hlt">electron</span> momentum spectra obtained as a function of the two-color phase exhibit a pronounced asymmetry. Using QRS theory we can analyze this asymmetric yield of the high energy photoelectrons to determine accurately the laser peak intensity and the absolute phase of the two-color electric field. This can be used as a standard pulse calibration method for all two-color studies. Experiments showing strong left-right asymmetry in D+ ion yield from D2 molecules using two-color pulses is also investigated. The asymmetry effect is found to be very ion-energy dependent.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://www.osti.gov/scitech/servlets/purl/1021331','SCIGOV-STC'); return false;" href="http://www.osti.gov/scitech/servlets/purl/1021331"><span>Analysis of the Tank <span class="hlt">5</span><span class="hlt">F</span> Feed and Bleed Residual Solids</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Poirier, M.; Diprete, D.: Coleman, C.; Washington, A.</p> <p>2011-07-07</p> <p>Savannah River Remediation (SRR) is preparing Tank <span class="hlt">5</span><span class="hlt">F</span> for closure. As part of Tank <span class="hlt">5</span><span class="hlt">F</span> Closure Mechanical Cleaning, SRR conducted a 'Feed and Bleed' process in Tank <span class="hlt">5</span><span class="hlt">F</span>. Following this 'Feed and Bleed' Mechanical Cleaning in Tank <span class="hlt">5</span><span class="hlt">F</span>, SRR collected two tank heel samples (referred to as sample 1 and sample 2) under Riser 5 to determine the composition of the material remaining in the tanks. This document describes sample analysis results. The conclusions from this analysis follow. (1) The anions measured all had a concentration less than 250 mg/kg, except for oxalate, which had a concentration of 2100-2400 mg/kg. (2) The measured cations with the highest concentration were iron (432,000-519,000 mg/kg), nickel (54,600-69,300 mg/kg), and manganese (35,200-42,100 mg/kg). All other cations measured less than 13,000 mg/kg. (3) The radionuclides present in the highest concentration are {sup 90}Sr (3.0 x 10{sup 10} dpm/g), {sup 137}Cs (6.8 x 10{sup 8} dpm/g), and {sup 241}Am (1.4 x 10{sup 8} - 1.8 x 10{sup 8} dpm/g). (4) The particle size analysis shows a large fraction of particles greater than 100 {micro}.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.gpo.gov/fdsys/pkg/CFR-2010-title48-vol1/pdf/CFR-2010-title48-vol1-sec47-303-5.pdf','CFR'); return false;" href="https://www.gpo.gov/fdsys/pkg/CFR-2010-title48-vol1/pdf/CFR-2010-title48-vol1-sec47-303-5.pdf"><span>48 CFR 47.303-<span class="hlt">5</span> - <span class="hlt">F</span>.o.b. origin, with differentials.</span></a></p> <p><a target="_blank" href="http://www.gpo.gov/fdsys/browse/collectionCfr.action?selectedYearFrom=2010&page.go=Go">Code of Federal Regulations, 2010 CFR</a></p> <p></p> <p>2010-10-01</p> <p>... 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-<span class="hlt">5</span> <span class="hlt">F</span>.o.b. origin, with differentials. (a) Explanation of delivery term. F.o.b. origin, with differentials means— (1) Free of expense...</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_13");'>13</a></li> <li><a href="#" onclick='return showDiv("page_14");'>14</a></li> <li class="active"><span>15</span></li> <li><a href="#" onclick='return showDiv("page_16");'>16</a></li> <li><a href="#" onclick='return showDiv("page_17");'>17</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_15 --> <div id="page_16" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_14");'>14</a></li> <li><a href="#" onclick='return showDiv("page_15");'>15</a></li> <li class="active"><span>16</span></li> <li><a href="#" onclick='return showDiv("page_17");'>17</a></li> <li><a href="#" onclick='return showDiv("page_18");'>18</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="301"> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.gpo.gov/fdsys/pkg/CFR-2011-title48-vol1/pdf/CFR-2011-title48-vol1-sec47-303-5.pdf','CFR2011'); return false;" href="https://www.gpo.gov/fdsys/pkg/CFR-2011-title48-vol1/pdf/CFR-2011-title48-vol1-sec47-303-5.pdf"><span>48 CFR 47.303-<span class="hlt">5</span> - <span class="hlt">F</span>.o.b. origin, with differentials.</span></a></p> <p><a target="_blank" href="http://www.gpo.gov/fdsys/browse/collectionCfr.action?selectedYearFrom=2011&page.go=Go">Code of Federal Regulations, 2011 CFR</a></p> <p></p> <p>2011-10-01</p> <p>... 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-<span class="hlt">5</span> <span class="hlt">F</span>.o.b. origin, with differentials. (a) Explanation of delivery term. F.o.b. origin, with differentials means— (1) Free of expense...</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/25869668','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/25869668"><span>Sac2/INPP<span class="hlt">5</span><span class="hlt">F</span> is an inositol 4-phosphatase that functions in the endocytic pathway.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Nakatsu, Fubito; Messa, Mirko; Nández, Ramiro; Czapla, Heather; Zou, Yixiao; Strittmatter, Stephen M; De Camilli, Pietro</p> <p>2015-04-13</p> <p>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/INPP<span class="hlt">5</span><span class="hlt">F</span> 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/INPP<span class="hlt">5</span><span class="hlt">F</span> interaction could be demonstrated by coimmunoprecipitation and was potentiated by Rab5, whose activity is required to recruit Sac2/INPP<span class="hlt">5</span><span class="hlt">F</span> to endosomes. Sac2/INPP<span class="hlt">5</span><span class="hlt">F</span> 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.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.gpo.gov/fdsys/pkg/CFR-2011-title26-vol14/pdf/CFR-2011-title26-vol14-sec5f-103-2.pdf','CFR2011'); return false;" href="https://www.gpo.gov/fdsys/pkg/CFR-2011-title26-vol14/pdf/CFR-2011-title26-vol14-sec5f-103-2.pdf"><span>26 CFR <span class="hlt">5</span><span class="hlt">f</span>.103-2 - Public approval of industrial development bonds.</span></a></p> <p><a target="_blank" href="http://www.gpo.gov/fdsys/browse/collectionCfr.action?selectedYearFrom=2011&page.go=Go">Code of Federal Regulations, 2011 CFR</a></p> <p></p> <p>2011-04-01</p> <p>... 26 Internal Revenue 14 2011-04-01 2010-04-01 true Public approval of industrial development bonds... RESPONSIBILITY ACT OF 1982 § <span class="hlt">5</span><span class="hlt">f</span>.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...</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2000PhDT.......279S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2000PhDT.......279S"><span>Theory of <span class="hlt">electronic</span> polarization and <span class="hlt">localization</span> in insulators with applications to solid hydrogen</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Souza, Ivo Nuno Saldanha Do Rosario E.</p> <p></p> <p>A theory is formulated, and practical expressions are derived, for the full quantum-mechanical distribution of the intrinsic macroscopic polarization of an insulator in terms of the ground state wave function. The formalism applies to an insulating system of N <span class="hlt">electrons</span> obeying twisted boundary conditions over a finite volume. The central quantity is a cumulant generating function which yields, upon successive differentiation, all the cumulants and moments of the probability distribution of an appropriately defined center of mass X/N of the <span class="hlt">electrons</span> ( X=SN i=1xi ). The first moment is the average polarization, where we recover the well-known Berry phase expression. The second cumulant gives the mean-square fluctuation of the polarization, which defines an <span class="hlt">electronic</span> <span class="hlt">localization</span> length squared x2m along each direction m:x2m= X2m -Xm 2/N . It can be expressed in terms of a metric, which measures the infinitesimal distance between quantum states in a Hilbert space parametrized by the twisted boundary conditions. The fluctuation-dissipation relation is used to show that in the thermodynamic limit x2m diverges when the system becomes metallic and is a finite, measurable quantity in the insulating state, related to the optical gap by x2m≤ℎ2 /2meEg . In noninteracting systems x2m is related to the spread of the Wannier functions, and this picture is generalized to correlated insulators by defining the many-body analog of Wannier functions. In the limit of large N the maximally-<span class="hlt">localized</span> many-body Wannier functions become <span class="hlt">localized</span> in disconnected regions of the high-dimensional configuration space of the N <span class="hlt">electrons</span>, establishing a direct connection with Kohn's theory of the insulating state. By recasting the generating function in terms of these functions, it is shown that macroscopic polarization results from the <span class="hlt">localized</span> character of an insulating wave function in configuration space. The Berry phase theory is used to compute the Born effective charges in</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/28195731','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/28195731"><span>Nucleophilic Aromatic Substitution Reactions Described by the <span class="hlt">Local</span> <span class="hlt">Electron</span> Attachment Energy.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Stenlid, Joakim H; Brinck, Tore</p> <p>2017-03-17</p> <p>A <span class="hlt">local</span> multiorbital electrophilicity descriptor, the <span class="hlt">local</span> <span class="hlt">electron</span> attachment energy [E(r)], is used to study the nucleophilic aromatic substitution reactions of SNAr and VNS (vicarious nucleophilic substitution). E(r) considers all virtual orbitals below the free <span class="hlt">electron</span> limit and is determined on the molecular isodensity contour of 0.004 atomic units. Good (R(2) = 0.83) to excellent (R(2) = 0.98) correlations are found between descriptor values and experimental reactivity data for six series of <span class="hlt">electron</span> deficient arenes. These include homo- and heteroarenes, rings of five to six atoms, and a variety of fluorine, bromine, and hydride leaving groups. The solvent, temperature, and nucleophile are in addition varied across the series. The surface E(r) [ES(r)] is shown to provide reactivity predictions better than those of transition-state calculations for a concerted SNAr reaction with a bromine nucleofug, gives correlations substantially stronger than those of LUMO energies, and is overall more reliable than the molecular electrostatic potential. With the use of ES(r), one can identify the various electrophilic sites within a molecule and correctly predict isomeric distributions. Since the calculations of ES(r) are computationally inexpensive, the descriptor offers fast but accurate reactivity predictions for the important nucleophilic aromatic substitution class of reactions. Applications in, e.g., drug discovery, synthesis, and toxicology studies are envisaged.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2012APS..MARJ12009K','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2012APS..MARJ12009K"><span><span class="hlt">Electron</span> transport measurement of graphene under one-dimensional <span class="hlt">local</span> strain</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Kanda, A.; Tomori, H.; Nukui, Y.; Toyota, Y.; Karube, H.; Nihei, S.; Ootuka, Y.; Tsukagoshi, K.; Hayashi, M.; Yoshioka, H.</p> <p>2012-02-01</p> <p>Introducing a nonuniform strain is a promising technique for controlling <span class="hlt">electron</span> transport in graphene. Theories have predicted the formation of band gaps with properly designed strain; however, reports on experimental transport properties of strained graphene are quite limited. In this presentation, we report the measurement of <span class="hlt">electron</span> transport in graphene under one-dimensional <span class="hlt">local</span> strain. The <span class="hlt">local</span> strain was introduced by inserting a one-dimensional dielectric nanorod between a graphene film and its substrate, using a technique reported in [1]. We found that the conductivity across the strained region decreases around the Dirac point in comparison with the unstrained graphene attached to the substrate, although the mobility far from the Dirac point is almost unchanged. The results cannot be explained by the change of the capacitance between the graphene film and the gate electrode, indicating that the strain affects the <span class="hlt">electron</span> transport. The experimental results on strained and unstrained graphene devices from the same graphene film as well as the numerical results will be discussed. [4pt] [1] H. Tomori et al., Appl. Phys. Express 4, 075102 (2011).</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4788481','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4788481"><span>Anderson <span class="hlt">localization</span> of <span class="hlt">electrons</span> in single crystals: LixFe7Se8</span></a></p> <p><a target="_blank" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Ying, Tianping; Gu, Yueqiang; Chen, Xiao; Wang, Xinbo; Jin, Shifeng; Zhao, Linlin; Zhang, Wei; Chen, Xiaolong</p> <p>2016-01-01</p> <p>Anderson (disorder-induced) <span class="hlt">localization</span>, proposed more than half a century ago, has inspired numerous efforts to explore the absence of wave diffusions in disordered media. However, the proposed disorder-induced metal-insulator transition (MIT), associated with the nonpropagative <span class="hlt">electron</span> waves, has hardly been observed in three-dimensional (3D) crystalline materials, let alone single crystals. We report the observation of an MIT in centimeter-size single crystals of LixFe7Se8 induced by lattice disorder. Both specific heat and infrared reflectance measurements reveal the presence of considerable <span class="hlt">electronic</span> states in the vicinity of the Fermi level when the MIT occurs, suggesting that the transition is not due to Coulomb repulsion mechanism. The 3D variable range hopping regime evidenced by electrical transport measurements at low temperatures indicates the <span class="hlt">localized</span> nature of the <span class="hlt">electronic</span> states on the Fermi level. Quantitative analyses of carrier concentration, carrier mobility, and simulated density of states (DOS) fully support that LixFe7Se8 is an Anderson insulator. On the basis of these results, we provide a unified DOS picture to explain all the experimental results, and a schematic diagram for finding other potential Anderson insulators. This material will thus serve as a rich playground for both theoretical and experimental investigations on MITs and disorder-induced phenomena. PMID:26989781</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/25040403','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/25040403"><span>Immuno- and correlative light microscopy-<span class="hlt">electron</span> tomography methods for 3D protein <span class="hlt">localization</span> in yeast.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Mari, Muriel; Geerts, Willie J C; Reggiori, Fulvio</p> <p>2014-10-01</p> <p>Compartmentalization of eukaryotic cells is created and maintained through membrane rearrangements that include membrane transport and organelle biogenesis. Three-dimensional reconstructions with nanoscale resolution in combination with protein <span class="hlt">localization</span> are essential for an accurate molecular dissection of these processes. The yeast Saccharomyces cerevisiae is a key model system for identifying genes and characterizing pathways essential for the organization of cellular ultrastructures. <span class="hlt">Electron</span> microscopy studies of yeast, however, have been hampered by the presence of a cell wall that obstructs penetration of resins and cryoprotectants, and by the protein dense cytoplasm, which obscures the membrane details. Here we present an immuno-<span class="hlt">electron</span> tomography (IET) method, which allows the determination of protein distribution patterns on reconstructed organelles from yeast. In addition, we extend this IET approach into a correlative light microscopy-<span class="hlt">electron</span> tomography procedure where structures positive for a specific protein <span class="hlt">localized</span> through a fluorescent signal are resolved in 3D. These new investigative tools for yeast will help to advance our understanding of the endomembrane system organization in eukaryotic cells.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016ChPhB..25k7201L','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016ChPhB..25k7201L"><span><span class="hlt">Electron</span> <span class="hlt">localization</span> in ultrathin films of three-dimensional topological insulators</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Liao, Jian; Shi, Gang; Liu, Nan; Li, Yongqing</p> <p>2016-11-01</p> <p>The recent discovery of three-dimensional (3D) topological insulators (TIs) has provided a fertile ground for obtaining further insights into <span class="hlt">electron</span> <span class="hlt">localization</span> in condensed matter systems. In the past few years, a tremendous amount of research effort has been devoted to investigate <span class="hlt">electron</span> transport properties of 3D TIs and their low dimensional structures in a wide range of disorder strength, covering transport regimes from weak antilocalization to strong <span class="hlt">localization</span>. The knowledge gained from these studies not only offers sensitive means to probe the surface states of 3D TIs but also forms a basis for exploring novel topological phases. In this article, we briefly review the main experimental progress in the study of the <span class="hlt">localization</span> in 3D TIs, with a focus on the latest results on ultrathin TI films. Some new transport data will also be presented in order to complement those reported previously in the literature. Project supported by the National Basic Research Program of China (Grant Nos. 2012CB921703 and 2015CB921102), the National Natural Science Foundation of China (Grant Nos. 61425015, 11374337, and 91121003), and the Strategic Priority Research Program of the Chinese Academy of Sciences (Grant No. XDB070202).</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/27936798','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/27936798"><span><span class="hlt">Local</span> <span class="hlt">Electron</span> Attachment Energy and Its Use for Predicting Nucleophilic Reactions and Halogen Bonding.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Brinck, Tore; Carlqvist, Peter; Stenlid, Joakim H</p> <p>2016-12-22</p> <p>A new <span class="hlt">local</span> property, the <span class="hlt">local</span> <span class="hlt">electron</span> attachment energy [E(r)], is introduced and is demonstrated to be a useful guide to predict intermolecular interactions and chemical reactivity. The E(r) is analogous to the average <span class="hlt">local</span> ionization energy but indicates susceptibility toward interactions with nucleophiles rather than electrophiles. The functional form E(r) is motivated based on Janak's theorem and the piecewise linear energy dependence of <span class="hlt">electron</span> addition to atomic and molecular systems. Within the generalized Kohn-Sham method (GKS-DFT), only the virtual orbitals with negative eigenvalues contribute to E(r). In the present study, E(r) has been computed from orbitals obtained from GKS-DFT computations with a hybrid exchange-correlation functional. It is shown that E(r) computed on a molecular isodensity surface, ES(r), reflects the regioselectivity and relative reactivity for nucleophilic aromatic substitution, nucleophilic addition to activated double bonds, and formation of halogen bonds. Good to excellent correlations between experimental or theoretical measures of interaction strengths and minima in ES(r) (ES,min) are demonstrated.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.osti.gov/scitech/biblio/22391900','SCIGOV-STC'); return false;" href="https://www.osti.gov/scitech/biblio/22391900"><span><span class="hlt">Local</span> imaging of high mobility two-dimensional <span class="hlt">electron</span> systems with virtual scanning tunneling microscopy</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Pelliccione, M.; Bartel, J.; Goldhaber-Gordon, D.; Sciambi, A.; Pfeiffer, L. N.; West, K. W.</p> <p>2014-11-03</p> <p>Correlated <span class="hlt">electron</span> states in high mobility two-dimensional <span class="hlt">electron</span> systems (2DESs), including charge density waves and microemulsion phases intermediate between a Fermi liquid and Wigner crystal, are predicted to exhibit complex <span class="hlt">local</span> charge order. Existing experimental studies, however, have mainly probed these systems at micron to millimeter scales rather than directly mapping spatial organization. Scanning probes should be well-suited to study the spatial structure of these states, but high mobility 2DESs are found at buried semiconductor interfaces, beyond the reach of conventional scanning tunneling microscopy. Scanning techniques based on electrostatic coupling to the 2DES deliver important insights, but generally with resolution limited by the depth of the 2DES. In this letter, we present our progress in developing a technique called “virtual scanning tunneling microscopy” that allows <span class="hlt">local</span> tunneling into a high mobility 2DES. Using a specially designed bilayer GaAs/AlGaAs heterostructure where the tunnel coupling between two separate 2DESs is tunable via electrostatic gating, combined with a scanning gate, we show that the <span class="hlt">local</span> tunneling can be controlled with sub-250 nm resolution.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2014PhRvB..89e4427S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2014PhRvB..89e4427S"><span>Fluctuating <span class="hlt">local</span> moments, itinerant <span class="hlt">electrons</span>, and the magnetocaloric effect: Compositional hypersensitivity of FeRh</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Staunton, J. B.; Banerjee, R.; Dias, M. dos Santos; Deak, A.; Szunyogh, L.</p> <p>2014-02-01</p> <p>We describe an ab initio disordered <span class="hlt">local</span> moment theory for materials with quenched static compositional disorder traversing first-order magnetic phase transitions. It accounts quantitatively for metamagnetic changes and the magnetocaloric effect. For perfect stoichiometric B2-ordered FeRh, we calculate the transition temperature of the ferromagnetic-antiferromagnetic transition to be Tt= 495 K and a maximum isothermal entropy change in 2 T of |ΔS|=21.1 J K-1 kg-1. A large (40%) component of |ΔS| is <span class="hlt">electronic</span>. The transition results from a fine balance of competing <span class="hlt">electronic</span> effects which is disturbed by small compositional changes; e.g., swapping just 2% Fe of "defects" onto the Rh sublattice makes Tt drop by 290 K. This hypersensitivity explains the narrow compositional range of the transition and impurity doping effects.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.osti.gov/pages/biblio/1334146-spin-coherence-dephasing-localized-electrons-monolayer-mos2','SCIGOV-DOEP'); return false;" href="https://www.osti.gov/pages/biblio/1334146-spin-coherence-dephasing-localized-electrons-monolayer-mos2"><span>Spin coherence and dephasing of <span class="hlt">localized</span> <span class="hlt">electrons</span> in monolayer MoS2</span></a></p> <p><a target="_blank" href="http://www.osti.gov/pages">DOE PAGES</a></p> <p>Yang, Luyi; Chen, Weibing; McCreary, Kathleen M.; ...</p> <p>2015-11-10</p> <p>Here, we report a systematic study of coherent spin precession and spin dephasing in <span class="hlt">electron</span>-doped monolayer MoS2. Using time-resolved Kerr rotation spectroscopy and applied in-plane magnetic fields, a nanosecond time scale Larmor spin precession signal commensurate with g-factor |g0| ≃ 1.86 is observed in several different MoS2 samples grown by chemical vapor deposition. The dephasing rate of this oscillatory signal increases linearly with magnetic field, suggesting that the coherence arises from a subensemble of <span class="hlt">localized</span> <span class="hlt">electron</span> spins having an inhomogeneously broadened distribution of g-factors, g0 + Δg. In contrast to g0, Δg is sample-dependent and ranges from 0.042 to 0.115.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://www.osti.gov/scitech/servlets/purl/1334146','SCIGOV-STC'); return false;" href="http://www.osti.gov/scitech/servlets/purl/1334146"><span>Spin coherence and dephasing of <span class="hlt">localized</span> <span class="hlt">electrons</span> in monolayer MoS<sub>2</sub></span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Yang, Luyi; Chen, Weibing; McCreary, Kathleen M.; Jonker, Berend T.; Lou, Jun; Crooker, Scott A.</p> <p>2015-11-10</p> <p>Here, we report a systematic study of coherent spin precession and spin dephasing in <span class="hlt">electron</span>-doped monolayer MoS<sub>2</sub>. Using time-resolved Kerr rotation spectroscopy and applied in-plane magnetic fields, a nanosecond time scale Larmor spin precession signal commensurate with g-factor |g<sub>0</sub>| ≃ 1.86 is observed in several different MoS<sub>2</sub> samples grown by chemical vapor deposition. The dephasing rate of this oscillatory signal increases linearly with magnetic field, suggesting that the coherence arises from a subensemble of <span class="hlt">localized</span> <span class="hlt">electron</span> spins having an inhomogeneously broadened distribution of g-factors, g<sub>0</sub> + Δg. In contrast to g<sub>0</sub>, Δg is sample-dependent and ranges from 0.042 to 0.115.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://www.osti.gov/scitech/servlets/purl/6276375','SCIGOV-STC'); return false;" href="http://www.osti.gov/scitech/servlets/purl/6276375"><span>Sawtooth stabilization by <span class="hlt">localized</span> <span class="hlt">electron</span> cyclotron heating in a tokamak plasma</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Hanada, K.; Tanaka, H.; Iida, M.; Minami, T.; Maekawa, T.; Terumichi, Y.; Tanaka, S. . Dept. of Physics); Ide, S. . Naka Fusion Research Establishment); Nakamura, M. ); Yamada, M.; Manickam, J.; White, R.B. . Plasma Physics Lab.)</p> <p>1990-11-01</p> <p>Sawtooth oscillations (STO) in the ohmically heated WT-3 tokamak are strongly modified or suppressed by <span class="hlt">localized</span> <span class="hlt">electron</span> cyclotron resonance heating (ECH) near the q = 1 surface, where q refers to the safety factor. The effect of ECH is much stronger when it is applied on the high field side (the inner side of the tokamak) as compared to the low field side (outer side). Complete suppression of the STO is achieved for the duration of the ECH when it is applied on the high field side, in a low density plasma, provided the ECH power exceeds a thresholds value. The STO stabilization is attributed to a modification of the current density profile by hot <span class="hlt">electrons</span> generated by ECH, which reduces the shear in the q = region. 14 refs., 5 figs.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/19033323','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/19033323"><span><span class="hlt">Local</span> crystal structure analysis with 10-pm accuracy using scanning transmission <span class="hlt">electron</span> microscopy.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Saito, Mitsuhiro; Kimoto, Koji; Nagai, Takuro; Fukushima, Shun; Akahoshi, Daisuke; Kuwahara, Hideki; Matsui, Yoshio; Ishizuka, Kazuo</p> <p>2009-06-01</p> <p>We demonstrate <span class="hlt">local</span> crystal structure analysis based on annular dark-field (ADF) imaging in scanning transmission <span class="hlt">electron</span> microscopy (STEM). Using a stabilized STEM instrument and customized software, we first realize high accuracy of elemental discrimination and atom-position determination with a 10-pm-order accuracy, which can reveal major cation displacements associated with a variety of material properties, e.g. ferroelectricity and colossal magnetoresistivity. A-site ordered/disordered perovskite manganites Tb(0.5)Ba(0.5)MnO(3) are analysed; A-site ordering and a Mn-site displacement of 12 pm are detected in each specific atomic column. This method can be applied to practical and advanced materials, e.g. strongly correlated <span class="hlt">electron</span> materials.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/24963784','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/24963784"><span>Improved cluster-in-molecule <span class="hlt">local</span> correlation approach for <span class="hlt">electron</span> correlation calculation of large systems.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Guo, Yang; Li, Wei; Li, Shuhua</p> <p>2014-10-02</p> <p>An improved cluster-in-molecule (CIM) <span class="hlt">local</span> correlation approach is developed to allow <span class="hlt">electron</span> correlation calculations of large systems more accurate and faster. We have proposed a refined strategy of constructing virtual LMOs of various clusters, which is suitable for basis sets of various types. To recover medium-range <span class="hlt">electron</span> correlation, which is important for quantitative descriptions of large systems, we find that a larger distance threshold (ξ) is necessary for highly accurate results. Our illustrative calculations show that the present CIM-MP2 (second-order Møller-Plesser perturbation theory, MP2) or CIM-CCSD (coupled cluster singles and doubles, CCSD) scheme with a suitable ξ value is capable of recovering more than 99.8% correlation energies for a wide range of systems at different basis sets. Furthermore, the present CIM-MP2 scheme can provide reliable relative energy differences as the conventional MP2 method for secondary structures of polypeptides.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2010PhSS...52.2440W','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2010PhSS...52.2440W"><span><span class="hlt">Localized</span> <span class="hlt">electron</span> states in the continuous spectrum of the Cu(001) monolayer</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Wolf, G. V.; Chuburin, Yu. P.</p> <p>2010-11-01</p> <p>The results of the calculation of <span class="hlt">electron</span> bands of bound states that cross the edge of the continuous spectrum for the (001) fcc copper monolayer are presented for the first time. The calculations are performed in the <span class="hlt">local</span> approximation for the exchange and correlations using the film variant of the Green's function technique. Symmetry of <span class="hlt">electron</span> states near the edge of the continuous spectrum is explored. It is found that there are bound states along the bar sum direction of the two-dimensional Brillouin zone of the Cu(001) monolayer that are embedded in the continuum of delocalized states of the continuous spectrum. Along the bar Δ and bar Y directions, bands of bound states turn into resonance states after crossing the edge of the continuous spectrum.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/23458341','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/23458341"><span><span class="hlt">Local</span> Coulomb explosion of boron nitride nanotubes under <span class="hlt">electron</span> beam irradiation.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Wei, Xianlong; Tang, Dai-Ming; Chen, Qing; Bando, Yoshio; Golberg, Dmitri</p> <p>2013-04-23</p> <p>In many previous reports, the engineering of nanostructures using <span class="hlt">electron</span> beam irradiation (EBI) in a high vacuum has primarily been based on the knock-on atom displacement. Herein, we report a new phenomenon under EBI that can also be effectively used to engineer a nanostructure: <span class="hlt">local</span> Coulomb explosion (LCE) of cantilevered multiwalled boron nitride nanotubes (BNNTs) resulted from their profound positive charging. The nanotubes are gradually shortened, while the tubular shells at free ends are torn into graphene-like pieces and then removed during LCE. The phenomenon is dependent not only on the characteristics of an incident <span class="hlt">electron</span> beam, as in the case of a common knock-on process, but also on the cantilevered tube length. Only after the <span class="hlt">electron</span> beam density and tube length exceed the threshold values can LCE take place, and the threshold value for one of the parameters decreases with increasing the value of the other one. A model based on the diffusion of <span class="hlt">electron</span>-irradiation-induced holes along a BNNT is proposed to describe the positive charge accumulation and can well explain the observed LCE. LCE opens up an efficient and versatile way to engineer BNNTs and other dielectric nanostructures with a shorter time and a lower beam density than those required for the knock-on effect-based engineering.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2004NucFu..44...33M','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2004NucFu..44...33M"><span><span class="hlt">Localized</span> bulk <span class="hlt">electron</span> heating with ICRF mode conversion in the JET tokamak</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Mantsinen, M. J.; Mayoral, M.-L.; Van Eester, D.; Alper, B.; Barnsley, R.; Beaumont, P.; Bucalossi, J.; Coffey, I.; Conroy, S.; de Baar, M.; de Vries, P.; Erents, K.; Figueiredo, A.; Gondhalekar, A.; Gowers, C.; Hellsten, T.; Joffrin, E.; Kiptily, V.; Lamalle, P. U.; Lawson, K.; Lyssoivan, A.; Mailloux, J.; Mantica, P.; Meo, F.; Milani, F.; Monakhov, I.; Murari, A.; Nguyen, F.; Noterdaeme, J.-M.; Ongena, J.; Petrov, Yu.; Rachlew, E.; Riccardo, V.; Righi, E.; Rimini, F.; Stamp, M.; Tuccillo, A. A.; Zastrow, K.-D.; Zerbini, M.; EFDA contributors, JET</p> <p>2004-01-01</p> <p>Ion cyclotron resonance frequencies (ICRF) mode conversion has been developed for <span class="hlt">localized</span> on-axis and off-axis bulk <span class="hlt">electron</span> heating on the JET tokamak. The fast magnetosonic waves launched from the low-field side ICRF antennas are mode-converted to short-wavelength waves on the high-field side of the 3He ion cyclotron resonance layer in D and 4He plasmas and subsequently damped on the bulk <span class="hlt">electrons</span>. The resulting <span class="hlt">electron</span> power deposition, measured using ICRF power modulation, is narrow with a typical full-width at half-maximum of ap30 cm (i.e. about 30% of the minor radius) and the total deposited power to <span class="hlt">electrons</span> comprises at least up to 80% of the applied ICRF power. The ICRF mode conversion power deposition has been kept constant using 3He bleed throughout the ICRF phase with a typical duration of 4-6 s, i.e. 15-40 energy confinement times. Using waves propagating in the counter-current direction minimizes competing ion damping in the presence of co-injected deuterium beam ions.</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_14");'>14</a></li> <li><a href="#" onclick='return showDiv("page_15");'>15</a></li> <li class="active"><span>16</span></li> <li><a href="#" onclick='return showDiv("page_17");'>17</a></li> <li><a href="#" onclick='return showDiv("page_18");'>18</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_16 --> <div id="page_17" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_15");'>15</a></li> <li><a href="#" onclick='return showDiv("page_16");'>16</a></li> <li class="active"><span>17</span></li> <li><a href="#" onclick='return showDiv("page_18");'>18</a></li> <li><a href="#" onclick='return showDiv("page_19");'>19</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="321"> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/28862838','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/28862838"><span><span class="hlt">Locally</span> Resolved <span class="hlt">Electron</span> Emission Area and Unified View of Field Emission from Ultrananocrystalline Diamond Films.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Chubenko, Oksana; Baturin, Stanislav S; Kovi, Kiran K; Sumant, Anirudha V; Baryshev, Sergey V</p> <p>2017-09-27</p> <p>In this paper, we study the effect of the actual, <span class="hlt">locally</span> resolved, field emission area on <span class="hlt">electron</span> emission characteristics of uniform planar conductive nitrogen-incorporated ultrananocrystalline diamond ((N)UNCD) field emitters. High resolution imaging experiments were carried out in a field emission microscope with a specialty imaging anode screen such that <span class="hlt">electron</span> emission micrographs were taken concurrently with measurements of I-V characteristics. An automated image processing algorithm was applied to process the extensive imaging data sets and calculate the emission area per image. It was routinely found that field emission from as-grown planar (N)UNCD films was always confined to a counted number of discrete emitting centers across the surface, which varied in size and <span class="hlt">electron</span> emissivity. It was established that the actual field emission area critically depends on the applied electric field and that the field emission area and overall <span class="hlt">electron</span> emissivity improve with the sp(2)-fraction present in the film, irrespective of the original substrate roughness or morphology. Most importantly, when as-measured I-E characteristics were normalized by the electric field-dependent emission area, the resulting j-E curves demonstrated a strong kink and departed from the Fowler-Nordheim law, finally saturating at a value on the order of 100 mA/cm(2). This value was nearly identical for all studied films regardless of substrate. It was concluded that the saturation value is specific to the intrinsic fundamental properties of (N)UNCD.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017PhRvB..95o5107A','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017PhRvB..95o5107A"><span>Magnetic noise spectroscopy as a probe of <span class="hlt">local</span> <span class="hlt">electronic</span> correlations in two-dimensional systems</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Agarwal, Kartiek; Schmidt, Richard; Halperin, Bertrand; Oganesyan, Vadim; Zaránd, Gergely; Lukin, Mikhail D.; Demler, Eugene</p> <p>2017-04-01</p> <p>We develop the theoretical framework for calculating magnetic noise from conducting two-dimensional (2D) materials. We describe how <span class="hlt">local</span> measurements of this noise can directly probe the wave-vector dependent transport properties of the material over a broad range of length scales, thus providing new insight into a range of correlated phenomena in 2D <span class="hlt">electronic</span> systems. As an example, we demonstrate how transport in the hydrodynamic regime in an <span class="hlt">electronic</span> system exhibits a unique signature in the magnetic noise profile that distinguishes it from diffusive and ballistic transport and how it can be used to measure the viscosity of the <span class="hlt">electronic</span> fluid. We employ a Boltzmann approach in a two-time relaxation-time approximation to compute the conductivity of graphene and quantitatively illustrate these transport regimes and the experimental feasibility of observing them. Next, we discuss signatures of isolated impurities lodged inside the conducting 2D material. The noise near an impurity is found to be suppressed compared to the background by an amount that is directly proportional to the cross-section of <span class="hlt">electrons</span>/holes scattering off of the impurity. We use these results to outline an experimental proposal to measure the temperature dependent level shift and linewidth of the resonance associated with an Anderson impurity.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/1996PhRvB..53.9658D','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/1996PhRvB..53.9658D"><span>Ab initio <span class="hlt">electronic</span> structure, magnetism, and magnetocrystalline anisotropy of UGa2</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Diviš, Martin; Richter, Manuel; Eschrig, Helmut; Steinbeck, Lutz</p> <p>1996-04-01</p> <p>Ab initio <span class="hlt">electronic</span> structure calculations for the intermetallic compound UGa2 were performed using an optimized linear combination of atomic orbitals method based on the <span class="hlt">local</span> spin density approximation. Three separate calculations were done treating the uranium <span class="hlt">5</span><span class="hlt">f</span> states as band states and as <span class="hlt">localized</span> 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 <span class="hlt">localized</span> approach, crystal field parameters were obtained for the <span class="hlt">5</span><span class="hlt">f</span> states, which have been treated by self-interaction corrected <span class="hlt">local</span>-density theory. This approach with <span class="hlt">5</span><span class="hlt">f</span>2 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.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2006JChPh.125r4110M','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2006JChPh.125r4110M"><span>Calculation of smooth potential energy surfaces using <span class="hlt">local</span> <span class="hlt">electron</span> correlation methods</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Mata, Ricardo A.; Werner, Hans-Joachim</p> <p>2006-11-01</p> <p>The geometry dependence of excitation domains in <span class="hlt">local</span> correlation methods can lead to noncontinuous potential energy surfaces. We propose a simple domain merging procedure which eliminates this problem in many situations. The method is applied to heterolytic bond dissociations of ketene and propadienone, to SN2 reactions of Cl- with alkylchlorides, and in a quantum mechanical/molecular mechanical study of the chorismate mutase enzyme. It is demonstrated that smooth potentials are obtained in all cases. Furthermore, basis set superposition error effects are reduced in <span class="hlt">local</span> calculations, and it is found that this leads to better basis set convergence when computing barrier heights or weak interactions. When the <span class="hlt">electronic</span> structure strongly changes between reactants or products and the transition state, the domain merging procedure leads to a balanced description of all structures and accurate barrier heights.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.osti.gov/scitech/biblio/20864335','SCIGOV-STC'); return false;" href="https://www.osti.gov/scitech/biblio/20864335"><span>Calculation of smooth potential energy surfaces using <span class="hlt">local</span> <span class="hlt">electron</span> correlation methods</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Mata, Ricardo A.; Werner, Hans-Joachim</p> <p>2006-11-14</p> <p>The geometry dependence of excitation domains in <span class="hlt">local</span> correlation methods can lead to noncontinuous potential energy surfaces. We propose a simple domain merging procedure which eliminates this problem in many situations. The method is applied to heterolytic bond dissociations of ketene and propadienone, to SN2 reactions of Cl{sup -} with alkylchlorides, and in a quantum mechanical/molecular mechanical study of the chorismate mutase enzyme. It is demonstrated that smooth potentials are obtained in all cases. Furthermore, basis set superposition error effects are reduced in <span class="hlt">local</span> calculations, and it is found that this leads to better basis set convergence when computing barrier heights or weak interactions. When the <span class="hlt">electronic</span> structure strongly changes between reactants or products and the transition state, the domain merging procedure leads to a balanced description of all structures and accurate barrier heights.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.osti.gov/scitech/biblio/22299995','SCIGOV-STC'); return false;" href="https://www.osti.gov/scitech/biblio/22299995"><span>Inelastic <span class="hlt">electron</span> tunneling spectroscopy of <span class="hlt">local</span> “spin accumulation” devices</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Tinkey, Holly N.; Li, Pengke; Appelbaum, Ian</p> <p>2014-06-09</p> <p>We investigate the origin of purported “spin accumulation” signals observed in <span class="hlt">local</span> “three-terminal” (3T) measurements of ferromagnet/insulator/n-Si tunnel junctions using inelastic <span class="hlt">electron</span> tunneling spectroscopy (IETS). Voltage bias and magnetic field dependences of the IET spectra were found to account for the dominant contribution to 3T magnetoresistance, thus indicating that it arises from inelastic tunneling through impurities and defects at junction interfaces and within the barrier, rather than from spin accumulation due to pure elastic tunneling into bulk Si as has been previously assumed.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://www.osti.gov/scitech/servlets/purl/1222560','SCIGOV-STC'); return false;" href="http://www.osti.gov/scitech/servlets/purl/1222560"><span><span class="hlt">Local</span> <span class="hlt">electronic</span> effects and irradiation resistance in high-entropy alloys</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Egami, Takeshi; Stocks, George Malcolm; Nicholson, Don; Khorgolkhuu, Od; Ojha, Madhusudan</p> <p>2015-01-01</p> <p>High-entropy alloys are multicomponent solid solutions in which various elements with different chemistries and sizes occupy the same crystallographic lattice sites. Thus, none of the atoms perfectly fit the lattice site, giving rise to considerable <span class="hlt">local</span> lattice distortions and atomic-level stresses. These characteristics can be beneficial for performance under both radiation and in a high-temperature environment, making them attractive candidates as nuclear materials. We discuss <span class="hlt">electronic</span> origin of the atomic-level stresses based upon first-principles calculations using a density functional theory approach.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.osti.gov/pages/biblio/1222560-local-electronic-effects-irradiation-resistance-high-entropy-alloys','SCIGOV-DOEP'); return false;" href="https://www.osti.gov/pages/biblio/1222560-local-electronic-effects-irradiation-resistance-high-entropy-alloys"><span><span class="hlt">Local</span> <span class="hlt">electronic</span> effects and irradiation resistance in high-entropy alloys</span></a></p> <p><a target="_blank" href="http://www.osti.gov/pages">DOE PAGES</a></p> <p>Egami, Takeshi; Stocks, George Malcolm; Nicholson, Don; ...</p> <p>2015-01-01</p> <p>High-entropy alloys are multicomponent solid solutions in which various elements with different chemistries and sizes occupy the same crystallographic lattice sites. Thus, none of the atoms perfectly fit the lattice site, giving rise to considerable <span class="hlt">local</span> lattice distortions and atomic-level stresses. These characteristics can be beneficial for performance under both radiation and in a high-temperature environment, making them attractive candidates as nuclear materials. We discuss <span class="hlt">electronic</span> origin of the atomic-level stresses based upon first-principles calculations using a density functional theory approach.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/1999AIPC..491..289K','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/1999AIPC..491..289K"><span>Analysis of <span class="hlt">local</span> strain in aluminum interconnects by convergent beam <span class="hlt">electron</span> diffraction</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Krämer, Stephan; Mayer, Joachim</p> <p>1999-11-01</p> <p>Energy filtered convergent beam <span class="hlt">electron</span> diffraction (CBED) was used to investigate <span class="hlt">localized</span> strain in aluminum interconnects. An analysis of the higher order Laue zone (HOLZ) line positions in CBED patterns makes it possible to measure the lattice strain with high accuracy (˜104) and high spatial resolution (10 to 100 nm). The strain development in a single grain was measured during thermal cycling between -170 °C and +100 °C. The grain showed reversible, elastic behavior over the whole temperature range building up large strains at low temperatures. By comparing with finite element simulations, a detailed understanding of the tri-axial strain state could be achieved.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.osti.gov/pages/biblio/1221760-tio2-nanotube-arrays-photocatalysis-effects-crystallinity-local-order-electronic-structure','SCIGOV-DOEP'); return false;" href="https://www.osti.gov/pages/biblio/1221760-tio2-nanotube-arrays-photocatalysis-effects-crystallinity-local-order-electronic-structure"><span>TiO2 nanotube arrays for photocatalysis: Effects of crystallinity, <span class="hlt">local</span> order, and <span class="hlt">electronic</span> structure</span></a></p> <p><a target="_blank" href="http://www.osti.gov/pages">DOE PAGES</a></p> <p>Liu, Jing; Hosseinpour, Pegah M.; Luo, Si; ...</p> <p>2014-11-19</p> <p>To furnish insight into correlations of <span class="hlt">electronic</span> and <span class="hlt">local</span> structure and photoactivity, arrays of short and long TiO₂ nanotubes were synthesized by electrochemical anodization of Ti foil, followed by thermal treatment in O₂ (oxidizing), Ar (inert), and H₂ (reducing) environments. The physical and <span class="hlt">electronic</span> structures of these nanotubes were probed with x-ray diffraction, scanning <span class="hlt">electron</span> microscopy, and synchrotron-based x-ray absorption spectroscopy, and correlated with their photocatalytic properties. The photocatalytic activity of the nanotubes was evaluated by monitoring the degradation of methyl orange under UV-VIS light irradiation. Results show that upon annealing at 350 °C all as-anodized amorphous TiO₂ nanotube samplesmore » partially transform to the anatase structure, with variations in the degree of crystallinity and in the concentration of <span class="hlt">local</span> defects near the nanotubes' surface (~5 nm) depending on the annealing conditions. Degradation of methyl orange was not detectable for the as-anodized TiO₂ nanotubes regardless of their length. The annealed long nanotubes demonstrated detectable catalytic activity, which was more significant with the H₂-annealed nanotubes than with the Ar- and O₂-annealed nanotube samples. This enhanced photocatalytic response of the H₂-annealed long nanotubes relative to the other samples is positively correlated with the presence of a larger concentration of lattice defects (such as Ti3+ and anticipated oxygen vacancies) and a slightly lower degree of crystallinity near the nanotube surface. These physical and <span class="hlt">electronic</span> structural attributes impact the efficacy of visible light absorption; moreover, the increased concentration of surface defects is postulated to promote the generation of hydroxyl radicals and thus accelerate the photodegradation of the methyl orange. The information obtained from this study provides unique insight into the role of the near-surface <span class="hlt">electronic</span> and defect structure</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.osti.gov/scitech/biblio/22490048','SCIGOV-STC'); return false;" href="https://www.osti.gov/scitech/biblio/22490048"><span>Improved non-<span class="hlt">local</span> <span class="hlt">electron</span> thermal transport model for two-dimensional radiation hydrodynamics simulations</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Cao, Duc; Moses, Gregory; Delettrez, Jacques</p> <p>2015-08-15</p> <p>An implicit, non-<span class="hlt">local</span> thermal conduction algorithm based on the algorithm developed by Schurtz, Nicolai, and Busquet (SNB) [Schurtz et al., Phys. Plasmas 7, 4238 (2000)] for non-<span class="hlt">local</span> <span class="hlt">electron</span> transport is presented and has been implemented in the radiation-hydrodynamics code DRACO. To study the model's effect on DRACO's predictive capability, simulations of shot 60 303 from OMEGA are completed using the iSNB model, and the computed shock speed vs. time is compared to experiment. Temperature outputs from the iSNB model are compared with the non-<span class="hlt">local</span> transport model of Goncharov et al. [Phys. Plasmas 13, 012702 (2006)]. Effects on adiabat are also examined in a polar drive surrogate simulation. Results show that the iSNB model is not only capable of flux-limitation but also preheat prediction while remaining numerically robust and sacrificing little computational speed. Additionally, the results provide strong incentive to further modify key parameters within the SNB theory, namely, the newly introduced non-<span class="hlt">local</span> mean free path. This research was supported by the Laboratory for Laser Energetics of the University of Rochester.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016PhDT........81W','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016PhDT........81W"><span>Probing the band structure and <span class="hlt">local</span> <span class="hlt">electronic</span> properties of low-dimensional semiconductor structures</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Walrath, Jenna Cherie</p> <p></p> <p>Low-dimensional semiconductor structures are important for a wide variety of applications, and recent advances in nanoscale fabrication are paving the way for increasingly precise nano-engineering of a wide range of materials. It is therefore essential that the physics of materials at the nanoscale are thoroughly understood to unleash the full potential of nanotechnology, requiring the development of increasingly sophisticated instrumentation and modeling. Of particular interest is the relationship between the <span class="hlt">local</span> density of states (LDOS) of low-dimensional structures and the band structure and <span class="hlt">local</span> <span class="hlt">electronic</span> properties. This dissertation presents the investigation of the band structure, LDOS, and <span class="hlt">local</span> <span class="hlt">electronic</span> properties of nanostructures ranging from zero-dimensional (0D) quantum dots (QDs) to two-dimensional (2D) thin films, synthesizing computational and experimental approaches including Poisson-Schrodinger band structure calculations, scanning tunneling microscopy (STM), scanning tunneling spectroscopy (STS), and scanning thermoelectric microscopy (SThEM). A method is presented for quantifying the <span class="hlt">local</span> Seebeck coefficient (S) with SThEM, using a quasi-3D conversion matrix approach to directly convert temperature gradient-induced voltages S. For a GaAs p-n junction, the resulting S-profile is consistent with that computed using the free carrier concentration profile. This combined computational-experimental approach is expected to enable nanoscale measurements of S across a wide variety of heterostructure interfaces. The <span class="hlt">local</span> carrier concentration, n, is profiled across epitaxial InAs/GaAs QDs, where SThEM is used to profile the temperature gradient-induced voltage, which is converted to a profile of the <span class="hlt">local</span> S and finally to an n profile. The S profile is converted to a conduction band-edge profile and compared with Poisson-Schrodinger band-edge simulations. The combined computational-experimental approach suggests a reduced n in the QD center in</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2009EGUGA..1110956S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2009EGUGA..1110956S"><span><span class="hlt">Local</span> ionospheric <span class="hlt">electron</span> density reconstruction from simultaneous ground-based GNSS and ionosonde measurements</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Stankov, S. M.; Warnant, R.; Stegen, K.</p> <p>2009-04-01</p> <p>The purpose of the LIEDR (<span class="hlt">Local</span> Ionospheric <span class="hlt">Electron</span> Density Reconstruction) system is to acquire and process data from simultaneous ground-based GNSS TEC and digital ionosonde measurements, and subsequently to deduce the vertical <span class="hlt">electron</span> density distribution in the <span class="hlt">local</span> ionosphere. LIEDR is primarily designed to operate in real time for service applications, and, if sufficient data from solar and geomagnetic observations are available, to provide short-term forecast as well. For research applications and further development of the system, a post-processing mode of operation is also envisaged. In essence, the reconstruction procedure consists in the following. The high-precision ionosonde measurements are used for directly obtaining the bottom part of the <span class="hlt">electron</span> density profile. The ionospheric profiler for the lower side (i.e. below the density peak height, hmF2) is based on the Epstein layer functions using the known values of the critical frequencies, foF2 and foE, and the propagation factor, M3000F2. The corresponding bottom-side part of the total <span class="hlt">electron</span> content is calculated from this profile and is then subtracted from the GPS TEC value in order to obtain the unknown portion of the TEC in the upper side (i.e. above the hmF2). Ionosonde data, together with the simultaneously-measured TEC and empirically obtained O+/H+ ion transition level values, are all required for the determination of the topside <span class="hlt">electron</span> density scale height. The topside <span class="hlt">electron</span> density is considered as a sum of the constituent oxygen and hydrogen ion densities with unknown vertical scale heights. The latter are calculated by solving a system of transcendental equations that arise from the incorporation of a suitable ionospheric profiler (Chapman, Epstein, or Exponential) into formulae describing ionospheric conditions (plasma quasi-neutrality, ion transition level). Once the topside scale heights are determined, the construction of the vertical <span class="hlt">electron</span> density distribution in the</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2015JGRA..12010317T','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2015JGRA..12010317T"><span><span class="hlt">Local</span> <span class="hlt">electron</span> heating in the Io plasma torus associated with Io from HISAKI satellite observation</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Tsuchiya, Fuminori; Kagitani, Masato; Yoshioka, Kazuo; Kimura, Tomoki; Murakami, Go; Yamazaki, Atsushi; Nozawa, Hiromasa; Kasaba, Yasumasa; Sakanoi, Takeshi; Uemizu, Kazunori; Yoshikawa, Ichiro</p> <p>2015-12-01</p> <p>Io-correlated brightness change in the Io plasma torus (IPT) was discovered by the Voyager spacecraft, showing evidence of <span class="hlt">local</span> <span class="hlt">electron</span> heating around Io. However, its detailed properties and the cause of <span class="hlt">electron</span> heating are still open issues. The extreme ultraviolet spectrograph on board the HISAKI satellite continuously observed the IPT from the end of December 2013 to the middle of January 2014. The variation in the IPT brightness showed that clear periodicity associated with Io's orbital period (42 h) and that the bright region was located downstream of Io. The amplitude of the periodic variation was larger at short wavelengths than at long wavelengths. From spectral analyses, we found that Io-correlated brightening is caused by the increase in the hot <span class="hlt">electron</span> population in the region downstream of Io. We also found that the brightness depends on the system III longitude and found primary and secondary peaks in the longitude ranges of 100-130° and 250-340°, respectively. Io's orbit crosses the center of the IPT around these longitudes. This longitude dependence suggests that the <span class="hlt">electron</span> heating process is related to the plasma density around Io. The total radiated power from the IPT in January 2014 was estimated to be 1.4 TW in the wavelength range from 60 to 145 nm. The Io-correlated component produced 10% of this total radiated power. The interaction between Io and the IPT continuously produces a large amount of energy around Io, and 140 GW of that energy is immediately converted to hot <span class="hlt">electron</span> production in the IPT.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/27914811','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/27914811"><span>Subcellular <span class="hlt">localization</span> of leptin and leptin receptor in breast cancer detected in an <span class="hlt">electron</span> microscopic study.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Al-Shibli, Saad M; Amjad, Nasser M; Al-Kubaisi, Muna K; Mizan, Shaikh</p> <p>2017-01-22</p> <p>Leptin (LEP) and leptin receptor (LEPR) have long been found associated with breast cancer. So far no high-resolution method such as <span class="hlt">electron</span> microscopy has been used to investigate the subcellular <span class="hlt">localization</span> of leptin and leptin receptor in breast cancer. We collected cancer and non-cancer breast tissues from 51 women with invasive ductal breast cancer. Leptin and leptin receptor in the tissues were estimated using immunohistochemistry (IHC). LEP and LEPR were <span class="hlt">localized</span> at subcellular level by immunocytochemistry (ICC) using ultra-fine gold particle conjugated antibody, and visualized with transmission <span class="hlt">electron</span> microscopy (TEM). IHC showed high presence of LEP and LEPR in 65% and 67% respectively of the breast cancer samples, 100% and 0% respectively of the adipose tissue samples, and no high presence in the non-cancer breast tissue samples. On TEM views both LEP and LEPR were found highly concentrated within the nucleus of the cancer cells, indicating that nucleus is the principal seat of action. However, presence of high concentration of LEP does not necessarily prove its over-expression, as often concluded, because LEP could be internalized from outside by LEPR in the cells. In contrast, LEPR is definitely over-expressed in the ductal breast cancer cells. Therefore, we hypothesize that over-expression of LEPR, rather than that of LEP has a fundamental role in breast carcinogenesis in particular, and probably for LEP-LEPR associated tumors in general. Copyright © 2016 Elsevier Inc. All rights reserved.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016APS..DPPGO6014S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016APS..DPPGO6014S"><span><span class="hlt">Electron</span> Temperature Evolution During <span class="hlt">Local</span> Helicity Injection on the Pegasus Toroidal Experiment</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Schlossberg, D. J.; Barr, J. L.; Bodner, G. M.; Bongard, M. W.; Fonck, R. J.; Perry, J. M.; Reusch, J. A.; Rodriguez Sanchez, C.</p> <p>2016-10-01</p> <p>Understanding the <span class="hlt">electron</span> temperature (Te) evolution during <span class="hlt">local</span> helicity injection (LHI) is critical for scaling up this non-solenoidal startup technique to MA-class devices. The first comprehensive Te measurements during LHI reveal centrally-peaked profiles with Te > 100 eV for plasma current Ip > 120 kA, toroidal field 0.15 T, and <span class="hlt">electron</span> density ne 1019 m-3. Te rises and is sustained from just after magnetic relaxation through the plasma decoupling from edge-<span class="hlt">localized</span> injectors. Results are presented for two injector edge locations: outboard midplane and inboard divertor. Outboard midplane injection couples LHI with inductive drive from poloidal field ramps and radial compression during inward plasma growth. Comparisons of Te at different LHI-to-inductive drive ratios show some profile flattening for higher LHI drive fraction. The latter, constant-shape discharges were necessarily lower performance, with Ip 50 kA and reduced Te , max. Inboard divertor injection achieves higher Ip using minimal inductive drive and thus isolates effects of LHI drive on Te. Initial results in this configuration show Te rising rapidly at the injector location as the discharge grows, settling to a roughly flat profile 100 eV. Thus far, both scenarios provide relatively stable discharges with moderate ne and high-Te, suitable for coupling to auxiliary current drive. Detailed studies of confinement dynamics and discharge optimization are planned for the near future. Work supported by US DOE Grant DE-FG02-96ER54375.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017MRE.....4i5014A','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017MRE.....4i5014A"><span>Weak <span class="hlt">localization</span> and electron–<span class="hlt">electron</span> interaction in GaN nanowalls</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Amaladass, E. P.; Chatterjee, Abhijit; Sharma, Shilpam; Mani, Awadhesh; Shivaprasad, S. M.</p> <p>2017-09-01</p> <p>We investigate the magneto-transport properties of GaN nanowalls grown by molecular-beam epitaxy on a sapphire substrate. The temperature dependent resistivity shows an upturn at T  <  200 K due to <span class="hlt">localization</span> behaviour at low temperatures. Magneto-conductance (MC) measurements at various temperatures from 3 K to 200 K were done in a magnetic field up to  ±15 T applied parallel and perpendicular to the substrate. MC curves clearly show a sharp cusp like behaviour due to the weak-<span class="hlt">localization</span> phenomenon and are fitted with Hikami–Larkin–Nagaoka equation (HLN). The phase coherence length deduced from the fit shows a decreasing behaviour with increasing temperature. The plot of phase coherence time (τ φ ) with T ‑1 shows a linear behaviour from 10 K down to 3 K denoting that the electron–<span class="hlt">electron</span> interaction is the prime de-phase mechanism in the sample. The carrier density and mobility deduced from Hall measurements did not vary with temperatures which further substantiate that the interaction of the <span class="hlt">electrons</span> in GaN nanowall plays a major role in the quantum correction.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017JCAP...01..006M','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017JCAP...01..006M"><span>Dipole anisotropy in cosmic <span class="hlt">electrons</span> and positrons: inspection on <span class="hlt">local</span> sources</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Manconi, S.; Di Mauro, M.; Donato, F.</p> <p>2017-01-01</p> <p>The cosmic <span class="hlt">electrons</span> and positrons have been measured with unprecedented statistics up to several hundreds GeV, thus permitting to explore the role that close single sources can have in shaping the flux at different energies. In the present analysis, we consider <span class="hlt">electrons</span> and positrons in cosmic rays to be produced by spallations of hadron fluxes with the interstellar medium, by a smooth Supernova Remnant (SNR) population, by all the ATNF catalog pulsars, and by few discrete, <span class="hlt">local</span> SNRs. We test several source models on the e++e‑ and e+ AMS-02 flux data. For the configurations compatible with the data, we compute the dipole anisotropy in e++e‑, e+, e+/e‑ from single sources. Our study includes a dedicated analysis to the Vela SNR. We show that Fermi-LAT present data on dipole anisotropy of e++e‑ start to explore some of the models for the Vela SNR selected by AMS-02 flux data. We also investigate how the observed anisotropy could result from a combination of <span class="hlt">local</span> sources. Our analysis shows that the search of anisotropy in the lepton fluxes up to TeV energies can be an interesting tool for the inspection of properties of close SNRs, complementary to the high precision flux data.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016JPhD...49p5004D','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016JPhD...49p5004D"><span><span class="hlt">Electronic</span> structure and <span class="hlt">local</span> magnetism of 3d-5d impurity substituted CeFe2</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Das, Rakesh; Das, G. P.; Srivastava, S. K.</p> <p>2016-04-01</p> <p>We present here a systematic first-principles study of <span class="hlt">electronic</span> structure and <span class="hlt">local</span> magnetic properties of Ce[Fe0.75M0.25]2 compounds, where M is a 3d, 4d or 5d transition or post-transition element, using the generalized gradient approximation of the density functional theory. The d-f band hybridizations existing in CeFe2 get modified by the impurity M in an orderly manner across a period for each impurity series: the hybridization is strongest for the Mn group impurity in the period and gets diminished on either side of it. The weakening of the d-f hybridization strength is also associated with a relative <span class="hlt">localization</span> of the Ce 4f states with respect to the delocalized 4f states in CeFe2. The above effects are most prominent for 3d impurity series, while for 4d and 5d impurities, the hybridizations and relocalizations are relatively weak due primarily to the relatively extended nature of 4d and 5d wavefunctions. The Ce <span class="hlt">local</span> moment is found to decrease from the CeFe2 value in proportion to the strength of relocalization, thus following almost the same orderly trend as obeyed by the d-f hybridization. Further, depending on the way the spin-up and spin-down densities of states of an impurity shift relative to the Fermi energy, the impurity <span class="hlt">local</span> moments are highest for Mn or Fe group, reduce on either side, become zero for Ni to Ga, and are small but negative for V and Ti. The Ce hyperfine field is found to follow the M <span class="hlt">local</span> moment in a linear fashion, and vice-versa.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/1997PhR...288..223G','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/1997PhR...288..223G"><span>Spectral properties and <span class="hlt">localization</span> of an <span class="hlt">electron</span> in a two-dimensional system with point scatterers in a magnetic field</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Gredeskul, S. A.; Zusman, M.; Avishai, Y.; Azbel', M. Ya.</p> <p>1997-09-01</p> <p><span class="hlt">Electron</span> spectral properties and <span class="hlt">localization</span> in a two-dimensional system with point potentials subject to a perpendicular magnetic field are studied. A brief review of the known results concerning <span class="hlt">electron</span> dynamics in such systems is presented. For a set of periodic point potentials, exact dispersion laws and energy-flux diagram (Hofstadter-type butterfly) are obtained. It is shown that, in the case of one-dimensional disorder, the <span class="hlt">electron</span> <span class="hlt">localization</span> in a strong magnetic field is described by the random Harper equation. Energy-flux diagram for the <span class="hlt">localization</span> length is presented and the fractal structure of the <span class="hlt">localization</span> length is demonstrated. Near the Landau levels an exact formula for the <span class="hlt">localization</span> length as a function of energy and disorder is obtained. The corresponding critical exponent is equal to unity which is reminiscent of one-dimensional characteristics.</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_15");'>15</a></li> <li><a href="#" onclick='return showDiv("page_16");'>16</a></li> <li class="active"><span>17</span></li> <li><a href="#" onclick='return showDiv("page_18");'>18</a></li> <li><a href="#" onclick='return showDiv("page_19");'>19</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_17 --> <div id="page_18" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_16");'>16</a></li> <li><a href="#" onclick='return showDiv("page_17");'>17</a></li> <li class="active"><span>18</span></li> <li><a href="#" onclick='return showDiv("page_19");'>19</a></li> <li><a href="#" onclick='return showDiv("page_20");'>20</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="341"> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2010LanB..48A.1358C','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2010LanB..48A.1358C"><span>Nqrs Data for C10H<span class="hlt">5</span><span class="hlt">F</span>6IO4 (Subst. No. 1206)</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Chihara, H.; Nakamura, N.</p> <p></p> <p>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 C10H<span class="hlt">5</span><span class="hlt">F</span>6IO4 (Subst. No. 1206)</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2007PhRvB..76c5320D','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2007PhRvB..76c5320D"><span><span class="hlt">Electronic</span> viscosity in a quantum well: A test for the <span class="hlt">local</span>-density approximation</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>D'Agosta, Roberto; di Ventra, Massimiliano; Vignale, Giovanni</p> <p>2007-07-01</p> <p>In the <span class="hlt">local</span>-density approximation (LDA) for <span class="hlt">electronic</span> time-dependent current-density-functional theory, many-body effects are described in terms of the viscoelastic constants of the homogeneous three-dimensional <span class="hlt">electron</span> gas. In this paper, we critically examine the applicability of the three-dimensional LDA to the calculation of the viscous damping of one-dimensional collective oscillations of angular frequency ω in a quasi-two-dimensional quantum well. We calculate the effective viscosity ζ(ω) from perturbation theory in the screened Coulomb interaction and compare it with the commonly used three-dimensional LDA viscosity Y(ω) . Significant differences are found. At low frequency, Y(ω) is dominated by a shear term, which is absent in ζ(ω) . At high frequency, ζ(ω) and Y(ω) exhibit different power-law behaviors ( ω-3 and ω-5/2 , respectively), reflecting different spectral densities of <span class="hlt">electron</span>-hole excitations in two and three dimensions. These findings demonstrate the need for better approximations for the exchange-correlation stress tensor in specific systems where the use of the three-dimensional functionals may lead to unphysical results.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016Nanot..27X4002P','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016Nanot..27X4002P"><span><span class="hlt">Local</span> <span class="hlt">electronic</span> structure and nanolevel hierarchical organization of bone tissue: theory and NEXAFS study</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Pavlychev, A. A.; Avrunin, A. S.; Vinogradov, A. S.; Filatova, E. O.; Doctorov, A. A.; Krivosenko, Yu S.; Samoilenko, D. O.; Svirskiy, G. I.; Konashuk, A. S.; Rostov, D. A.</p> <p>2016-12-01</p> <p>Theoretical and experimental investigations of native bone are carried out to understand relationships between its hierarchical organization and <span class="hlt">local</span> <span class="hlt">electronic</span> and atomic structure of the mineralized phase. The 3D superlattice model of a coplanar assembly of the hydroxyapatite (HAP) nanocrystallites separated by the hydrated nanolayers is introduced to account the interplay of short-, long- and super-range order parameters in bone tissue. The model is applied to (i) predict and rationalize the HAP-to-bone spectral changes in the <span class="hlt">electronic</span> structure and (ii) describe the mechanisms ensuring the link of the hierarchical organization with the <span class="hlt">electronic</span> structure of the mineralized phase in bone. To check the predictions the near-edge x-ray absorption fine structure (NEXAFS) at the Ca 2p, P 2p and O 1s thresholds is measured for native bone and compared with NEXAFS for reference compounds. The NEXAFS analysis has demonstrated the essential hierarchy induced HAP-to-bone red shifts of the Ca and P 2p-to-valence transitions. The lowest O 1s excitation line at 532.2 eV in bone is assigned with superposition of core transitions in the hydroxide OH-(H2O) m anions, Ca2+(H2O) n cations, the carboxyl groups inside the collagen and [PO4]2- and [PO4]- anions with unsaturated P-O bonds.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2006APS..MARG27008B','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2006APS..MARG27008B"><span>Basis set limit and systematic errors in <span class="hlt">local</span>-orbital based all-<span class="hlt">electron</span> DFT</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Blum, Volker; Behler, Jörg; Gehrke, Ralf; Reuter, Karsten; Scheffler, Matthias</p> <p>2006-03-01</p> <p>With the advent of efficient integration schemes,^1,2 numeric atom-centered orbitals (NAO's) are an attractive basis choice in practical density functional theory (DFT) calculations of nanostructured systems (surfaces, clusters, molecules). Though all-<span class="hlt">electron</span>, the efficiency of practical implementations promises to be on par with the best plane-wave pseudopotential codes, while having a noticeably higher accuracy if required: Minimal-sized effective tight-binding like calculations and chemically accurate all-<span class="hlt">electron</span> calculations are both possible within the same framework; non-periodic and periodic systems can be treated on equal footing; and the <span class="hlt">localized</span> nature of the basis allows in principle for O(N)-like scaling. However, converging an observable with respect to the basis set is less straightforward than with competing systematic basis choices (e.g., plane waves). We here investigate the basis set limit of optimized NAO basis sets in all-<span class="hlt">electron</span> calculations, using as examples small molecules and clusters (N2, Cu2, Cu4, Cu10). meV-level total energy convergence is possible using <=50 basis functions per atom in all cases. We also find a clear correlation between the errors which arise from underconverged basis sets, and the system geometry (interatomic distance). ^1 B. Delley, J. Chem. Phys. 92, 508 (1990), ^2 J.M. Soler et al., J. Phys.: Condens. Matter 14, 2745 (2002).</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2000JCrGr.210..341T','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2000JCrGr.210..341T"><span><span class="hlt">Local</span> lattice strain measurements in semiconductor devices by using convergent-beam <span class="hlt">electron</span> diffraction</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Toda, Akio; Ikarashi, Nobuyuki; Ono, Haruhiko</p> <p>2000-03-01</p> <p>We examined the lattice strain distribution around <span class="hlt">local</span> oxidation of silicon (LOCOS) in a semiconductor device by using highly accurate (1.8×10 -4 standard deviation) convergent-beam <span class="hlt">electron</span> diffraction (CBED) at a nanometer-scale spatial resolution (10 nm in diameter). The nanometer-scale measurement was done by reducing the elastic relaxation using a thick (about 600 nm) sample and by removing the inelastically scattered <span class="hlt">electrons</span> by means of an <span class="hlt">electron</span> energy filter. A highly accurate measurement was achieved through the analysis of higher-order Laue zone (HOLZ) patterns using the least-squares fitting of HOLZ line intersection distances between the observations and calculations. Our examination showed that the LOCOS structure gave singularities in strain distributions at the field edge. That is, compressive strain exists in both the vertical and horizontal directions of the substrate, and the shear strain increased there. Most notably, two-dimensional measurements revealed that the singularity of the normal strain in the horizontal direction of the substrate generated at the field edge propagated into the substrate.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016JAP...120u4303C','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016JAP...120u4303C"><span>Density and <span class="hlt">localized</span> states' impact on amorphous carbon <span class="hlt">electron</span> transport mechanisms</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Caicedo-Dávila, S.; Lopez-Acevedo, O.; Velasco-Medina, J.; Avila, A.</p> <p>2016-12-01</p> <p>This work discusses the <span class="hlt">electron</span> transport mechanisms that we obtained as a function of the density of amorphous carbon (a-C) ultra-thin films. We calculated the density of states (total and projected), degree of <span class="hlt">electronic</span> states' <span class="hlt">localization</span>, and transmission function using the density functional theory and nonequilibrium Green's functions method. We generated 25 sample a-C structures using ab-initio molecular dynamics within the isothermal-isobaric ensemble. We identified three transport regimes as a function of the density, varying from semimetallic in low-density samples ( ≤2.4 g/cm3) to thermally activated in high-density ( ≥2.9 g/cm3) tetrahedral a-C. The middle-range densities (2.4 g/cm3 ≤ρ≤ 2.9 g/cm3) are characterized by resonant tunneling and hopping transport. Our findings offer a different perspective from the tight-binding model proposed by Katkov and Bhattacharyya [J. Appl. Phys. 113, 183712 (2013)], and agree with experimental observations in low-dimensional carbon systems [see S. Bhattacharyya, Appl. Phys. Lett. 91, 21 (2007)]. Identifying transport regimes is crucial to the process of understanding and applying a-C thin film in <span class="hlt">electronic</span> devices and electrode coating in biosensors.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/16497051','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/16497051"><span><span class="hlt">Electron</span> transfer mechanism and the <span class="hlt">locality</span> of the system-bath interaction: a comparison of <span class="hlt">local</span>, semilocal, and pure dephasing models.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Weiss, Emily A; Katz, Gil; Goldsmith, Randall H; Wasielewski, Michael R; Ratner, Mark A; Kosloff, Ronnie; Nitzan, Abraham</p> <p>2006-02-21</p> <p>We simulate the effects of two types of dephasing processes, a nonlocal dephasing of system eigenstates and a dephasing of semilocal eigenstates, on the rate and mechanism of <span class="hlt">electron</span> transfer (eT) through a series of donor-bridge-acceptor systems, D-B(N)-A, where N is the number of identical bridge units. Our analytical and numerical results show that pure dephasing, defined as the perturbation of system eigenstates through the system-bath interaction, does not disrupt coherent eT because it induces no <span class="hlt">localization</span>; <span class="hlt">electron</span> transfer may proceed through superexchange in a system undergoing only pure dephasing. A more physically reasonable description may be obtained via a system-bath interaction that reflects the perturbation of more <span class="hlt">local</span> <span class="hlt">electronic</span> structure by <span class="hlt">local</span> nuclear distortions and dipole interactions. The degree of <span class="hlt">locality</span> of this interaction is guided by the structure of the system Hamiltonian and by the nature of the measurement performed on the system (i.e., the nature of the environment). We compare our result from this "semilocal" model with an even more <span class="hlt">local</span> phenomenological dephasing model. We calculate <span class="hlt">electron</span> transfer rate by obtaining nonequilibrium steady-state solutions for the elements of a reduced density matrix; a semigroup formalism is used to write down the dissipative part of the equation of motion.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/23651655','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/23651655"><span>Establishing <span class="hlt">local</span> and regional DRLs by means of <span class="hlt">electronic</span> radiographical X-ray examination records.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Charnock, P; Moores, B M; Wilde, R</p> <p>2013-11-01</p> <p>The objective of the paper is to demonstrate that patient dose audits may be undertaken at the <span class="hlt">local</span> and regional levels by employing <span class="hlt">electronic</span> examination records contained in Radiology Information Systems (RISs) that have been collected, analysed and managed by modern IT systems. The resulting mean and third quartile values obtained may then be used to establish <span class="hlt">local</span> and regional dose reference levels (DRLs) as part of an optimisation strategy. The method involved the collection of roughly 1.3 million radiographical examination records stored in hospital RIS over a 3-y period from 10 hospital sites in the north of England. These were analysed according to the process employed in the national patient dose (NPD) audits undertaken every 5 y in the UK. Data processing and analysis methods are described that are suitable for handling very large data sets quickly and efficiently. Because RIS data involve manual data entry it may be susceptible to data entry errors. Therefore, a comparison of results obtained from both RIS and DICOM generated data was first of all undertaken in order to 'calibrate' the RIS-based method and demonstrate its accuracy. The results obtained from this comparison indicate that the RIS-based examination records provide patient dose distributions with an equivalent statistical accuracy compared with those employing DICOM data and, therefore, may be employed in patient dose audits in order to establish both <span class="hlt">local</span> and regional DRLs for use in patient dose management and optimisation strategies.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016PhLA..380.2828C','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016PhLA..380.2828C"><span>Self-<span class="hlt">localized</span> states for <span class="hlt">electron</span> transfer in nonlocal continuum deformable media</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Cisneros-Ake, Luis A.</p> <p>2016-08-01</p> <p>We consider the problem of <span class="hlt">electron</span> transport in a deformable continuum medium subjected to an external harmonic substrate potential. We then consider the quasi-stationary state of the full problem to find a Gross-Pitaevskii type equation with a nonlocal external potential, which is solved by variational and numerical means (considered as the exact solution) to find the parameter conditions for the existence of self-<span class="hlt">localized</span> solutions. The variational approach predicts a threshold on the on-site or nonlocality parameter where <span class="hlt">localized</span> solutions cease to exist from the Non-Linear Schrödinger soliton limit. A numerical continuation of stationary state solutions in the corresponding discrete system is used to confirm the prediction of the turning value in the on-site term. We finally study the full stationary state and make use of an approximation, proposed by Briedis et al. [17], for the nonlocal term, corresponding to strong nonlocalities, to find analytic expressions for self-<span class="hlt">localized</span> states in terms of the series solutions of a nonlinear modified Bessel equation.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4649997','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4649997"><span>Subcellular <span class="hlt">Localization</span> of the Sigma-1 Receptor in Retinal Neurons — an <span class="hlt">Electron</span> Microscopy Study</span></a></p> <p><a target="_blank" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Mavlyutov, Timur A.; Epstein, Miles; Guo, Lian-Wang</p> <p>2015-01-01</p> <p>The Sigma-1 receptor (S1R) is known to play a protective role in the central nervous system including the retina. A major barrier for understanding the underlying mechanism is an ambiguity of S1R subcellular <span class="hlt">localizations</span>. We thus conducted the first <span class="hlt">electron</span> microscopy (EM) study of S1R subcellular distribution in the mouse retina. Immuno-EM imaging showed previously under-appreciated S1R presence in photoreceptor cells. Unlike in other cell types in previous reports, in photoreceptor cells S1R was found in the nuclear envelope but not <span class="hlt">localized</span> in the endoplasmic reticulum (ER), raising a possibility of S1R-mediated modulatory mechanisms different than conventionally thought. While in bipolar cells S1R was detected only in the nuclear envelope, in ganglion cells S1R was identified predominantly in the nuclear envelope and found in the ER as well. A predominant <span class="hlt">localization</span> of S1R in the nuclear envelope in all three retinal neurons implicates a potential role of S1R in modulating nuclear activities. Moreover, its absence in the plasma membrane and presence in the subsurface ER cisternae that are juxtaposed to the plasma membrane in ganglion cells may lend mechanistic insights generally important for frequently reported S1R modulations of ion channels in neurons. PMID:26033680</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/26660397','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/26660397"><span>Pou<span class="hlt">5</span><span class="hlt">f</span>3.2-induced proliferative state of embryonic cells during gastrulation of Xenopus laevis embryo.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Nishitani, Eriko; Li, Chong; Lee, Jaehoon; Hotta, Hiroyo; Katayama, Yuta; Yamaguchi, Masahiro; Kinoshita, Tsutomu</p> <p>2015-12-01</p> <p>POU class V (POU-V) transcription factors play the important role in maintenance of pluripotency and cell differentiation. Pou<span class="hlt">5</span><span class="hlt">f</span>3.2 (Oct25), one of Xenopus POU-V transcription factors, shows the zygotic expression prior to gastrulation. In order to know the molecular mechanism of pou<span class="hlt">5</span><span class="hlt">f</span>3.2 expression at gastrula stage, we examined a responsiveness of pou<span class="hlt">5</span><span class="hlt">f</span>3.2 to Nodal signaling. Animal cap assay demonstrated that Xnr2 activates the gene expression of pou<span class="hlt">5</span><span class="hlt">f</span>3.2. In comparative analysis of the 5'-flanking region of pou<span class="hlt">5</span><span class="hlt">f</span>3.2 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 pou<span class="hlt">5</span><span class="hlt">f</span>3.2 at gastrula stage. To understand a role of pou<span class="hlt">5</span><span class="hlt">f</span>3.2 in gastrula embryos, morpholino oligo DNA of pou<span class="hlt">5</span><span class="hlt">f</span>3.2 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 pou<span class="hlt">5</span><span class="hlt">f</span>3.2 at the gastrula stage. Xbra1 expression and gastrulation were also inhibited by injecting with the synthesized RNAs of pou<span class="hlt">5</span><span class="hlt">f</span>3.2. Furthermore, in the pou<span class="hlt">5</span><span class="hlt">f</span>3.2-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 pou<span class="hlt">5</span><span class="hlt">f</span>3.2 is to keep the embryonic cells in undifferentiated and proliferative state during gastrulation.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/27473876','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/27473876"><span>Characterization of the POU<span class="hlt">5</span><span class="hlt">F</span>1 Homologue in Nile Tilapia: From Expression Pattern to Biological Activity.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Xiaohuan, Huang; Yang, Zhao; Linyan, Liu; Zhenhua, Fan; Linyan, Zhou; Zhijian, Wang; Ling, Wei; Deshou, Wang; Jing, Wei</p> <p>2016-09-15</p> <p>POU<span class="hlt">5</span><span class="hlt">F</span>1 (OCT4) is a crucial transcription factor for induction and maintenance of cellular pluripotency, as well as survival of germ cells in mammals. However, the homologues of POU<span class="hlt">5</span><span class="hlt">F</span>1 in teleost fish, including zebrafish and medaka, now named Pou<span class="hlt">5</span><span class="hlt">f</span>3, exhibit considerable differences in expression pattern and pluripotency-maintaining activity. To what extent the POU<span class="hlt">5</span><span class="hlt">F</span>1 homologues are conserved in vertebrates has been unclear. In this study, we report that the POU<span class="hlt">5</span><span class="hlt">F</span>1 homologue from the Nile tilapia (Oreochromis niloticus), OnPou<span class="hlt">5</span><span class="hlt">f</span>3, displays an expression pattern and biological activity somewhat different from those in zebrafish or medaka. The expression of Onpou<span class="hlt">5</span><span class="hlt">f</span>3 at both mRNA and protein levels was abundant in early development embryos until blastula stages, barely detectable as proceeding, and then displayed a transiently strong expression domain in the brain region during neurula stages similar to zebrafish but not medaka. Afterward, OnPou<span class="hlt">5</span><span class="hlt">f</span>3 appeared as germline-restricted (including primordial germ cells and female and male gonad germ cells) expression just like medaka. Notably, OnPou<span class="hlt">5</span><span class="hlt">f</span>3 depletion through morpholino oligos caused blastula blockage or lethality and failure of survival and proliferation of blastula cell-derived cells. These findings indicate that equivalent POU<span class="hlt">5</span><span class="hlt">F</span>1-like expression and activity of Pou<span class="hlt">5</span><span class="hlt">f</span>3 might be conserved accompanying with species-specific expression pattern during evolution. Our study provides insight into the evolutionary conservation of the POU<span class="hlt">5</span><span class="hlt">F</span>1 homologues across vertebrates.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016PhRvB..93h5311S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016PhRvB..93h5311S"><span>Spin response to <span class="hlt">localized</span> pumps: Exciton polaritons versus <span class="hlt">electrons</span> and holes</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Sacksteder, Vincent; Pervishko, A. A.; Shelykh, I. A.</p> <p>2016-02-01</p> <p>Polariton polarization can be described in terms of a pseudospin which can be oriented along the x ,y , or z axis, similarly to <span class="hlt">electron</span> and hole spin. Unlike <span class="hlt">electrons</span> and holes where time-reversal symmetry requires that the spin-orbit interaction be odd in the momentum, the analog of the spin-orbit interaction for polaritons, the so-called TE-TM splitting, is even in the momentum. We calculate and compare spin transport of polariton, <span class="hlt">electron</span>, and hole systems, in the diffusive regime of many scatterings. After dimensional rescaling diffusive systems with spatially uniform particle densities have identical dynamics, regardless of the particle type. Differences between the three particles appear in spatially nonuniform systems, with pumps at a specific <span class="hlt">localized</span> point. We consider both oscillating pumps and transient (delta function) pumps. In such systems each particle type produces distinctive spin patterns. The particles can be distinguished by their differing spatial multipole character, their response and resonances in a perpendicular magnetic field, and their relative magnitude which is largest for <span class="hlt">electrons</span> and weakest for holes. These patterns are manifested both in response to unpolarized pumps which produce in-plane and perpendicular spin signals, and to polarized pumps where the spin precesses from in-plane to out-of-plane and vice versa. These results will be useful for designing systems with large spin polarization signals, for identifying the dominant spin-orbit interaction and measuring subdominant terms in experimental devices, and for measuring the scattering time and the spin-orbit coupling's magnitude.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/27218123','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/27218123"><span>Curly arrows meet <span class="hlt">electron</span> density transfers in chemical reaction mechanisms: from <span class="hlt">electron</span> <span class="hlt">localization</span> function (ELF) analysis to valence-shell <span class="hlt">electron</span>-pair repulsion (VSEPR) inspired interpretation.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Andrés, Juan; Berski, Sławomir; Silvi, Bernard</p> <p>2016-07-07</p> <p>Probing the <span class="hlt">electron</span> density transfers during a chemical reaction can provide important insights, making possible to understand and control chemical reactions. This aim has required extensions of the relationships between the traditional chemical concepts and the quantum mechanical ones. The present work examines the detailed chemical insights that have been generated through 100 years of work worldwide on G. N. Lewis's ground breaking paper on The Atom and the Molecule (Lewis, G. N. The Atom and the Molecule, J. Am. Chem. Soc. 1916, 38, 762-785), with a focus on how the determination of reaction mechanisms can be reached applying the bonding evolution theory (BET), emphasizing how curly arrows meet <span class="hlt">electron</span> density transfers in chemical reaction mechanisms and how the Lewis structure can be recovered. BET that combines the topological analysis of the <span class="hlt">electron</span> <span class="hlt">localization</span> function (ELF) and Thom's catastrophe theory (CT) provides a powerful tool providing insight into molecular mechanisms of chemical rearrangements. In agreement with physical laws and quantum theoretical insights, BET can be considered as an appropriate tool to tackle chemical reactivity with a wide range of possible applications. Likewise, the present approach retrieves the classical curly arrows used to describe the rearrangements of chemical bonds for a given reaction mechanism, providing detailed physical grounds for this type of representation. The ideas underlying the valence-shell-<span class="hlt">electron</span> pair-repulsion (VSEPR) model applied to non-equilibrium geometries provide simple chemical explanations of density transfers. For a given geometry around a central atom, the arrangement of the <span class="hlt">electronic</span> domain may comply or not with the VSEPR rules according with the valence shell population of the considered atom. A deformation yields arrangements which are either VSEPR defective (at least a domain is missing to match the VSEPR arrangement corresponding to the geometry of the ligands), VSEPR compliant</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017PhDT.........4S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017PhDT.........4S"><span><span class="hlt">Electron</span> Temperature and Density in <span class="hlt">Local</span> Helicity Injection and High betat Plasmas</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Schlossberg, David J.</p> <p></p> <p>Tokamak startup in a spherical torus (ST) and an ST-based fusion nuclear science facility can greatly benefit from using non-inductive methods. The Pegasus Toroidal Experiment has developed a non-inductive startup technique using <span class="hlt">local</span> helicity injection (LHI). <span class="hlt">Electron</span> temperature, T e(r), and density, ne( r), profiles during LHI are unknown. These profiles are critical for understanding both the physics of the injection and relaxation mechanisms, as well as for extrapolating this technique to larger devices. A new Thomson scattering system has been designed, installed, and used to characterize Te(r, t) and ne(r, t) during LHI. The diagnostic leverages new technology in image intensified CCD cameras, high-efficiency diffraction gratings, and reliable Nd:YAG lasers. Custom systems for stray light mitigation, fast shuttering, and precision timing have been developed and implemented. The overall system provides a low-maintenance, economic, and effective means to explore novel physics regimes in Pegasus. <span class="hlt">Electron</span> temperature and density profiles during LHI have been measured for the first time. Results indicate Te(r) peaked in the core of plasmas, and sustained while plasmas are coupled to injection drive. <span class="hlt">Electron</span> densities also peak near the core of the tokamak, up to <span class="hlt">local</span> values of n e ˜ 1.5 x 1019 m -3. A comparison of Te( r, t) has been made between discharges with dominant drive voltage from induction versus helicity injection. In both cases Te ( r, t) profiles remain peaked, with values for Te ,max > 150 eV in dominantly helicity-driven plasmas using high-field side LHI. Sustained values of betat ˜ 100% have been demonstrated in a tokamak for the first time. Plasmas are created and driven entirely non-solenoidally, and exhibit MHD stability. Measured temperature and density profiles are used to constrain magnetic equilibrium reconstructions, which calculate 80% < betat < 100% throughout a toroidal field ramp-down. For a continued decrease in the toroidal</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://www.osti.gov/scitech/servlets/purl/1166998','SCIGOV-STC'); return false;" href="http://www.osti.gov/scitech/servlets/purl/1166998"><span><span class="hlt">Localized</span> heating of <span class="hlt">electrons</span> in ionization zones: Going beyond the Penning-Thornton paradigm in magnetron sputtering</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Anders, Andre</p> <p>2014-12-07</p> <p>The fundamental question of how energy is supplied to a magnetron discharge is commonly answered by the Penning-Thornton paradigm invoking secondary <span class="hlt">electrons</span>. Huo et al. (Plasma Sources Sci. Technol. 22, 045005, (2013)) used a global discharge model to show that <span class="hlt">electron</span> heating in the electric field of the magnetic presheath is dominant. In this contribution, this concept is applied <span class="hlt">locally</span> taking into account the electric potential structure of ionization zones. Images of ionization zones can and should be interpreted as diagrams of the <span class="hlt">localization</span> of electric potential and related <span class="hlt">electron</span> energy, where certain collisions promote or dampen their formation.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2011CoTPh..55..158W','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2011CoTPh..55..158W"><span>CONDENSED MATTER: <span class="hlt">ELECTRONIC</span> STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES <span class="hlt">Electronic</span> Transport Calculations Using Maximally-<span class="hlt">Localized</span> Wannier Functions</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Wang, Neng-Ping</p> <p>2011-01-01</p> <p>I present a method to calculate the ballistic transport properties of atomic-scale structures under bias. The <span class="hlt">electronic</span> structure of the system is calculated using the Kohn-Sham scheme of density functional theory (DFT). The DFT eigenvectors are then transformed into a set of maximally <span class="hlt">localized</span> Wannier functions (MLWFs) [N. Marzari and D. Vanderbilt, Phys. Rev. B 56 (1997) 12847]. The MLWFs are used as a minimal basis set to obtain the Hamitonian matrices of the scattering region and the adjacent leads, which are needed for transport calculation using the nonequilibrium Green's function formalism. The coupling of the scattering region to the semi-infinite leads is described by the self-energies of the leads. Using the nonequilibrium Green's function method, one calculates self-consistently the charge distribution of the system under bias and evaluates the transmission and current through the system. To solve the Poisson equation within the scheme of MLWFs I introduce a computationally efficient method. The method is applied to a molecular hydrogen contact in two transition metal monatomic wires (Cu and Pt). It is found that for Pt the I-V characteristics is approximately linear dependence, however, for Cu the I-V characteristics manifests a linear dependence at low bias voltages and exhibits apparent nonlinearity at higher bias voltages. I have also calculated the transmission in the zero bias voltage limit for a single CO molecule adsorbed on Cu and Pt monatomic wires. While a chemical scissor effect occurs for the Cu monatomic wire with an adsorbed CO molecule, it is absent for the Pt monatomic wire due to the contribution of d-orbitals at the Fermi energy.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/22215586','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/22215586"><span><span class="hlt">Localization</span> of the proteasomal ubiquitin receptors Rpn10 and Rpn13 by <span class="hlt">electron</span> cryomicroscopy.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Sakata, Eri; Bohn, Stefan; Mihalache, Oana; Kiss, Petra; Beck, Florian; Nagy, Istvan; Nickell, Stephan; Tanaka, Keiji; Saeki, Yasushi; Förster, Friedrich; Baumeister, Wolfgang</p> <p>2012-01-31</p> <p>Two canonical subunits of the 26S proteasome, Rpn10 and Rpn13, function as ubiquitin (Ub) receptors. The mutual arrangement of these subunits--and all other non-ATPase subunits--in the regulatory particle is unknown. Using <span class="hlt">electron</span> cryomicroscopy, we calculated difference maps between wild-type 26S proteasome from Saccharomyces cerevisiae and deletion mutants (rpn10Δ, rpn13Δ, and rpn10Δrpn13Δ). These maps allowed us to <span class="hlt">localize</span> the two Ub receptors unambiguously. Rpn10 and Rpn13 mapped to the apical part of the 26S proteasome, above the N-terminal coiled coils of the AAA-ATPase heterodimers Rpt4/Rpt5 and Rpt1/Rpt2, respectively. On the basis of the mutual positions of Rpn10 and Rpn13, we propose a model for polyubiquitin binding to the 26S proteasome.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=3277190','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=3277190"><span><span class="hlt">Localization</span> of the proteasomal ubiquitin receptors Rpn10 and Rpn13 by <span class="hlt">electron</span> cryomicroscopy</span></a></p> <p><a target="_blank" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Sakata, Eri; Bohn, Stefan; Mihalache, Oana; Kiss, Petra; Beck, Florian; Nagy, Istvan; Nickell, Stephan; Tanaka, Keiji; Saeki, Yasushi; Förster, Friedrich; Baumeister, Wolfgang</p> <p>2012-01-01</p> <p>Two canonical subunits of the 26S proteasome, Rpn10 and Rpn13, function as ubiquitin (Ub) receptors. The mutual arrangement of these subunits—and all other non-ATPase subunits—in the regulatory particle is unknown. Using <span class="hlt">electron</span> cryomicroscopy, we calculated difference maps between wild-type 26S proteasome from Saccharomyces cerevisiae and deletion mutants (rpn10Δ, rpn13Δ, and rpn10Δrpn13Δ). These maps allowed us to <span class="hlt">localize</span> the two Ub receptors unambiguously. Rpn10 and Rpn13 mapped to the apical part of the 26S proteasome, above the N-terminal coiled coils of the AAA-ATPase heterodimers Rpt4/Rpt5 and Rpt1/Rpt2, respectively. On the basis of the mutual positions of Rpn10 and Rpn13, we propose a model for polyubiquitin binding to the 26S proteasome. PMID:22215586</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2014APS..MARD42014P','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2014APS..MARD42014P"><span>Probing the <span class="hlt">local</span> environment of a superconductor-proximitized nanowire using single <span class="hlt">electron</span> transistors</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Pei, Fei; Cassidy, Maja; Plissard, Sebastien; Car, Diana; Bakkers, Erik; Kouwenhoven, Leo</p> <p>2014-03-01</p> <p>Majorana bound states are predicted to arise in semiconducting nanowires with strong spin-orbit coupling that are proximity-coupled to a s-wave superconductor and exposed to a magnetic field. Recent tunneling spectroscopy experiments have shown signatures of Majorana bound states through the existence of a peak in conductance that remains fixed to zero bias over a wide range in magnetic fields. Observation of the delocalized nature of these states remains an outstanding challenge. Here we present measurements of a InSb nanowire proximitized by a central superconducting contact. Normal metal leads allow tunneling spectroscopy from each end of the wire, while nearby single <span class="hlt">electron</span> transistors provide simultaneous information on the <span class="hlt">local</span> environment both within the proximitized wire and at each end.</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_16");'>16</a></li> <li><a href="#" onclick='return showDiv("page_17");'>17</a></li> <li class="active"><span>18</span></li> <li><a href="#" onclick='return showDiv("page_19");'>19</a></li> <li><a href="#" onclick='return showDiv("page_20");'>20</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_18 --> <div id="page_19" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_17");'>17</a></li> <li><a href="#" onclick='return showDiv("page_18");'>18</a></li> <li class="active"><span>19</span></li> <li><a href="#" onclick='return showDiv("page_20");'>20</a></li> <li><a href="#" onclick='return showDiv("page_21");'>21</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="361"> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2010PhRvB..82w5317L','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2010PhRvB..82w5317L"><span><span class="hlt">Local</span> interlayer tunneling between two-dimensional <span class="hlt">electron</span> systems in the ballistic regime</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Luna, Katherine; Kim, Eun-Ah; Oreto, Paul; Kivelson, Steven A.; Goldhaber-Gordon, David</p> <p>2010-12-01</p> <p>We study a theoretical model of virtual scanning tunneling microscopy (VSTM) [A. Sciambi, M. Pelliccione, M. Lilly, S. Bank, A. Gossard, L. Pfeiffer, K. West, and D. Goldhaber-Gordon, arXiv:1008.0668 (unpublished); A. Sciambi, M. Pelliccione, S. R. Bank, A. C. Gossard, and D. Goldhaber-Gordon, Appl. Phys. Lett. 97, 132103 (2010)10.1063/1.3492440]: a proposed application of interlayer tunneling in a bilayer system to <span class="hlt">locally</span> probe a two-dimensional <span class="hlt">electron</span> system (2DES) in a semiconductor heterostructure. We consider tunneling for the case where transport in the 2DESs is ballistic and show that the zero-bias anomaly is suppressed by extremely efficient screening. Since such an anomaly would complicate the interpretation of data from VSTM, this result is encouraging for efforts to implement such a microscopy technique.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.osti.gov/scitech/biblio/22596401','SCIGOV-STC'); return false;" href="https://www.osti.gov/scitech/biblio/22596401"><span>New compact and efficient <span class="hlt">local</span> oscillator optic system for the KSTAR <span class="hlt">electron</span> cyclotron emission imaging system</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Nam, Y. B. Yun, G. S.; Lee, D. J.; Lee, J.; Lee, W.; Kim, C.; Park, H. K.</p> <p>2016-11-15</p> <p><span class="hlt">Electron</span> cyclotron emission imaging (ECEI) diagnostic on Korean Superconducting Tokamak Advanced Research utilizes quasi-optical heterodyne-detection method to measure 2D (vertical and radial) T{sub e} fluctuations from two toroidally separated poloidal cross section of the plasma. A cylindrical lens <span class="hlt">local</span> oscillator (LO) optics with optical path length (OPL) 2–2.5 m has been used in the current ECEI system to couple the LO source to the 24 vertically aligned array of ECE detectors. For efficient and compact LO optics employing the Powell lens is proposed so that the OPL of the LO source is significantly reduced from ∼2.0 m to 0.4 m with new optics. The coupling efficiency of the LO source is expected to be improved especially at the edge channels. Results from the optical simulation together with the laboratory test of the prototype optics will be discussed in this paper.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/3560294','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/3560294"><span>Tetramine dichloro-palladium subcellular <span class="hlt">localization</span> in the kidney: <span class="hlt">electron</span> microprobe study.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Berry, J P</p> <p>1987-01-01</p> <p>Palladium salt has been used for some time in experimental therapy protocols; with this in mind, we carried out a study of the effect of tetramine dichloro-palladium (soluble salt) upon kidney cells. Using an <span class="hlt">electron</span> microprobe, we were able to detect the presence of palladium associated with sulfur and iron in the lysosomes of the proximal tubule cells. Our results were compared with those obtained using Cis-diaminedichloro-platinum (Cis-DDP), an anti-cancer drug used in the treatment of diverse tumors. The mechanism of intralysosomal concentration of palladium as a non soluble salt associated with sulfur appeared to be related to <span class="hlt">local</span> sulfatase activity. Finally, iron concentration appeared to be related to the inhibition process of erythropoiesis.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2015PhRvB..92o5409W','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2015PhRvB..92o5409W"><span><span class="hlt">Local</span> spectroscopy of moiré-induced <span class="hlt">electronic</span> structure in gate-tunable twisted bilayer graphene</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Wong, Dillon; Wang, Yang; Jung, Jeil; Pezzini, Sergio; DaSilva, Ashley M.; Tsai, Hsin-Zon; Jung, Han Sae; Khajeh, Ramin; Kim, Youngkyou; Lee, Juwon; Kahn, Salman; Tollabimazraehno, Sajjad; Rasool, Haider; Watanabe, Kenji; Taniguchi, Takashi; Zettl, Alex; Adam, Shaffique; MacDonald, Allan H.; Crommie, Michael F.</p> <p>2015-10-01</p> <p>Twisted bilayer graphene (tBLG) forms a quasicrystal whose structural and <span class="hlt">electronic</span> properties depend on the angle of rotation between its layers. Here, we present a scanning tunneling microscopy study of gate-tunable tBLG devices supported by atomically smooth and chemically inert hexagonal boron nitride (BN). The high quality of these tBLG devices allows identification of coexisting moiré patterns and moiré super-superlattices produced by graphene-graphene and graphene-BN interlayer interactions. Furthermore, we examine additional tBLG spectroscopic features in the <span class="hlt">local</span> density of states beyond the first van Hove singularity. Our experimental data are explained by a theory of moiré bands that incorporates ab initio calculations and confirms the strongly nonperturbative character of tBLG interlayer coupling in the small twist-angle regime.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.osti.gov/scitech/biblio/6995823','SCIGOV-STC'); return false;" href="https://www.osti.gov/scitech/biblio/6995823"><span>Sawtooth stabilization by <span class="hlt">localized</span> <span class="hlt">electron</span> cyclotron heating in the WT-3 tokamak</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Hanada, K.; Maehara, T.; Makino, K.; Kishigami, Y.; Kishino, T.; Minami, T.; Tanaka, H.; Iida, M.; Nakamura, M.; Maekawa, T.; Terumichi, Y.; Tanaka, S. )</p> <p>1992-11-01</p> <p>The effect on sawtooth oscillations (STO) by <span class="hlt">localized</span> <span class="hlt">electron</span>-cyclotron-resonance heating (ECH) on the WT-3 tokamak ({ital Plasma} {ital Physics} {ital and} {ital Controlled} {ital Nuclear} {ital Fusion} {ital Research}, 1988 (International Atomic Energy Agency, Vienna, 1989), Vol. 1, p. 563) is studied. STO are strongly modified or stabilized by ECH near the {ital q}=1 surface, where {ital q} refers to the safety factor. The effect of ECH is much stronger when it is applied on the high-field side as compared to the low-field side. Further, even when ECH is applied outside the {ital q}=1 surface, the amplitude of STO decreases and STO stabilizes. In the very high {ital q}{sub {ital L}} discharge, the excitation of STO can be obtained by applying ECH.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2013PhRvB..87g5427T','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2013PhRvB..87g5427T"><span><span class="hlt">Electron</span> hopping at the Si(111):B-3 surface: Insight from <span class="hlt">local</span> impurity spectroscopy</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Tournier-Colletta, C.; Kierren, B.; Fagot-Revurat, Y.; Malterre, D.</p> <p>2013-02-01</p> <p>Boron vacancies at the Si(111):B-3 surface are model systems in the comprehension of strongly correlated semiconductor surfaces. By using scanning tunneling spectroscopy, the origin of the single-vacancy <span class="hlt">electronic</span> structure is addressed. It is shown to originate from the <span class="hlt">localization</span> of a well-identified dangling-bond surface state with significant B character. The bivacancy defect, which is characterized by energy-split bonding and antibonding states, is interpreted within the textbook diatomic molecule picture. From the hopping parameter, we determine the bandwidth of the surface state from which the impurity state derives and evaluate the strength of many-body effects. Our analysis supports the realization of the Mott-Hubbard insulator state in half-filled dangling-bond surface states on 3-reconstructed surfaces, as proposed recently for SiC(0001), Sn/Ge(111), and Sn/Si(111).</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=315623','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=315623"><span><span class="hlt">Localization</span> of Somatic Antigen on Gram-Negative Bacteria by <span class="hlt">Electron</span> Microscopy</span></a></p> <p><a target="_blank" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Shands, J. W.</p> <p>1965-01-01</p> <p>Shands, J. W. (University of Florida, Gainesville). <span class="hlt">Localization</span> of somatic antigen on gram-negative bacteria by <span class="hlt">electron</span> microscopy. J. Bacteriol. 90:266–270. 1965.—Antisera specific for the somatic antigens of Salmonella typhimurium and Escherichia coli O113 were prepared, and globulins isolated from these antisera were labeled with ferritin. Micrographs of labeled, sectioned bacteria show that somatic antigen is located in considerable quantities on the surface of the bacteria, and, furthermore, that it can extend up to 150 mμ beyond the confines of the cell wall. The arrangement of the ferritin on the bacteria suggests that the antigenic sites are located on fibrillar structures. Images PMID:16562028</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/23217681','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/23217681"><span>DOLORS: versatile strategy for internal labeling and domain <span class="hlt">localization</span> in <span class="hlt">electron</span> microscopy.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Lau, Pick-Wei; Potter, Clinton S; Carragher, Bridget; MacRae, Ian J</p> <p>2012-12-05</p> <p>Single-particle <span class="hlt">electron</span> microscopy (EM) is a powerful tool for studying the structures of large biological molecules. However, the achievable resolution does not always allow for direct recognition of individual protein domains. Labels that can be visualized by EM have been developed for protein termini, but tagging internal domains remains a challenge. We describe a robust strategy for determining the position of internal sites within EM maps, termed domain <span class="hlt">localization</span> by RCT sampling (DOLORS). DOLORS uses monovalent streptavidin added posttranslationally to tagged sites in the target protein. Internal labels generally display less conformational flexibility than terminal labels, providing more precise positional information. Automated methods are used to rapidly generate assemblies of unique 3D models allowing the attachment sites of labeled domains to be accurately identified and thus provide an overall architectural map of the molecule. Copyright © 2012 Elsevier Ltd. All rights reserved.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.osti.gov/scitech/biblio/22252923','SCIGOV-STC'); return false;" href="https://www.osti.gov/scitech/biblio/22252923"><span>The impact of pedestal turbulence and <span class="hlt">electron</span> inertia on edge-<span class="hlt">localized</span>-mode crashes</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Xi, P. W.; Xu, X. Q.; Diamond, P. H.</p> <p>2014-05-15</p> <p>We demonstrate that the occurrence of Edge-<span class="hlt">Localized</span>-Modes (ELM) crashes does not depend only on the linear peeling-ballooning threshold, but also relies on nonlinear processes. Wave-wave interaction constrains the growth time of a mode, thus inducing a shift in the criterion for triggering an ELM crash. An ELM crash requires the P-B growth rate to exceed a critical value γ>γ{sub c}, where γ{sub c} is set by 1/τ{sup ¯}{sub c}, and τ{sup ¯}{sub c} is the averaged mode phase coherence time. For 0<γ<γ{sub c}, P-B turbulence develops but drives enhanced turbulent transport. We also show that <span class="hlt">electron</span> inertia dramatically changes the instability threshold when density is low. However, P-B turbulence alone cannot generate enough current transport to allow fast reconnection during an ELM crash.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/27910535','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/27910535"><span>New compact and efficient <span class="hlt">local</span> oscillator optic system for the KSTAR <span class="hlt">electron</span> cyclotron emission imaging system.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Nam, Y B; Lee, D J; Lee, J; Kim, C; Yun, G S; Lee, W; Park, H K</p> <p>2016-11-01</p> <p><span class="hlt">Electron</span> cyclotron emission imaging (ECEI) diagnostic on Korean Superconducting Tokamak Advanced Research utilizes quasi-optical heterodyne-detection method to measure 2D (vertical and radial) Te fluctuations from two toroidally separated poloidal cross section of the plasma. A cylindrical lens <span class="hlt">local</span> oscillator (LO) optics with optical path length (OPL) 2-2.5 m has been used in the current ECEI system to couple the LO source to the 24 vertically aligned array of ECE detectors. For efficient and compact LO optics employing the Powell lens is proposed so that the OPL of the LO source is significantly reduced from ∼2.0 m to 0.4 m with new optics. The coupling efficiency of the LO source is expected to be improved especially at the edge channels. Results from the optical simulation together with the laboratory test of the prototype optics will be discussed in this paper.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016RScI...87kE130N','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016RScI...87kE130N"><span>New compact and efficient <span class="hlt">local</span> oscillator optic system for the KSTAR <span class="hlt">electron</span> cyclotron emission imaging system</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Nam, Y. B.; Lee, D. J.; Lee, J.; Kim, C.; Yun, G. S.; Lee, W.; Park, H. K.</p> <p>2016-11-01</p> <p><span class="hlt">Electron</span> cyclotron emission imaging (ECEI) diagnostic on Korean Superconducting Tokamak Advanced Research utilizes quasi-optical heterodyne-detection method to measure 2D (vertical and radial) Te fluctuations from two toroidally separated poloidal cross section of the plasma. A cylindrical lens <span class="hlt">local</span> oscillator (LO) optics with optical path length (OPL) 2-2.5 m has been used in the current ECEI system to couple the LO source to the 24 vertically aligned array of ECE detectors. For efficient and compact LO optics employing the Powell lens is proposed so that the OPL of the LO source is significantly reduced from ˜2.0 m to 0.4 m with new optics. The coupling efficiency of the LO source is expected to be improved especially at the edge channels. Results from the optical simulation together with the laboratory test of the prototype optics will be discussed in this paper.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2008JPlPh..74..585S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2008JPlPh..74..585S"><span>Non-<span class="hlt">local</span> theory of a transverse magnetic mode pumped free <span class="hlt">electron</span> laser</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Sharma, B. S.; Jaiman, N. K.</p> <p>2008-10-01</p> <p>A non-<span class="hlt">local</span> theory is used to study the effects of the corrugation parameter ε of a plasma-filled slow wave structure, the cyclotron frequency of a pumped magnetic field Ω and the relativistic gamma factor γ0 on the instability growth Γ of a free <span class="hlt">electron</span> laser in the presence of an external finite axial magnetic field. The dispersion relation is derived and the growth rate is formulated in the Raman regime. The growth rate is approximately proportional to ε. There is a considerable decrease in the instability growth when the cyclotron frequency is close to ω0. The growth rate approximately scales inversely as the 19/2 power of the relativistic gamma factor.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.osti.gov/scitech/biblio/86380','SCIGOV-STC'); return false;" href="https://www.osti.gov/scitech/biblio/86380"><span>A statistical characterization of <span class="hlt">local</span> mid-latitude total <span class="hlt">electron</span> content</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Gail, W.B.; Prag, A.B.; Coco, D.S.; Coker, C.</p> <p>1993-09-01</p> <p>The integrated line-of-slight <span class="hlt">electron</span> density within the ionosphere, known as the total <span class="hlt">electron</span> content (TEC), is commonly used to quantify ionospheric propagation effects. In order to extrapolate single-point measurements of TEC to other locations and times, some characterization of the TEC spatiotemporal variation must be available. Using a four-channel receiver tracking coded signals from the NAVSTAR Global Positioning System satellites, estimates of both the mean variation and correlation coefficient have been made for the approximately 1200-km or 1-hour <span class="hlt">local</span> time radius ionospheric region within view of a mid-latitude station. Results were obtained for morning and midday over a 4-week period near the autumnal equinox in 1989. The derived mean variation was found to be well characterized by linear functions of the <span class="hlt">local</span> time and latitude separation between the ground site and the ionospheric penetration point of the signal. The correlation coefficient during midday was found to decrease linearly with latitude, longitude, and time separation, with values of about 0.91 for a 1000-km separation and 0.98 for a 1-hour separation. During morning hours the longitude and time coefficients were similar to the midday values, but the latitude coefficient was found to have a nonlinear dependence, with values as small as 0.70. The combined results suggest that the decorrelation is due primarily to longer term TEC fluctuation, such as day-to-day variation in the TEC spatial dependence, rather than to transient effects such as traveling ionospheric disturbances. The analysis provides a spatiotemporal characterization of TEC that can be used to extrapolate TEC values from single-point measurements. 13 refs., 8 figs.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/20199847','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/20199847"><span><span class="hlt">Local</span> crystal structure analysis with several picometer precision using scanning transmission <span class="hlt">electron</span> microscopy.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Kimoto, Koji; Asaka, Toru; Yu, Xiuzhen; Nagai, Takuro; Matsui, Yoshio; Ishizuka, Kazuo</p> <p>2010-06-01</p> <p>We report a <span class="hlt">local</span> crystal structure analysis with a high precision of several picometers on the basis of scanning transmission <span class="hlt">electron</span> microscopy (STEM). Advanced annular dark-field (ADF) imaging has been demonstrated using software-based experimental and data-processing techniques, such as the improvement of signal-to-noise ratio, the reduction of image distortion, the quantification of experimental parameters (e.g., thickness and defocus) and the resolution enhancement by maximum-entropy deconvolution. The accuracy in the atom position measurement depends on the validity of the incoherent imaging approximation, in which an ADF image is described as the convolution between the incident probe profile and scattering objects. Although the qualitative interpretation of ADF image contrast is possible for a wide range of specimen thicknesses, the direct observation of a crystal structure with deep-sub-angstrom accuracy requires a thin specimen (e.g., 10nm), as well as observation of the structure image by conventional high-resolution transmission <span class="hlt">electron</span> microscopy. Copyright 2009 Elsevier B.V. All rights reserved.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=3925979','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=3925979"><span><span class="hlt">Electronic</span> Health Record Design and Implementation for Pharmacogenomics: a <span class="hlt">Local</span> Perspective</span></a></p> <p><a target="_blank" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Peterson, Josh F.; Bowton, Erica; Field, Julie R.; Beller, Marc; Mitchell, Jennifer; Schildcrout, Jonathan; Gregg, William; Johnson, Kevin; Jirjis, Jim N; Roden, Dan M.; Pulley, Jill M.; Denny, Josh C.</p> <p>2014-01-01</p> <p>Purpose The design of <span class="hlt">electronic</span> health records (EHR) to translate genomic medicine into clinical care is crucial to successful introduction of new genomic services, yet there are few published guides to implementation. Methods The design, implemented features, and evolution of a <span class="hlt">locally</span> developed EHR that supports a large pharmacogenomics program at a tertiary care academic medical center was tracked over a 4-year development period. Results Developers and program staff created EHR mechanisms for ordering a pharmacogenomics panel in advance of clinical need (preemptive genotyping) and in response to a specific drug indication. Genetic data from panel-based genotyping were sequestered from the EHR until drug-gene interactions (DGIs) met evidentiary standards and deemed clinically actionable. A service to translate genotype to predicted drug response phenotype populated a summary of DGIs, triggered inpatient and outpatient clinical decision support, updated laboratory records, and created gene results within online personal health records. Conclusion The design of a <span class="hlt">locally</span> developed EHR supporting pharmacogenomics has generalizable utility. The challenge of representing genomic data in a comprehensible and clinically actionable format is discussed along with reflection on the scalability of the model to larger sets of genomic data. PMID:24009000</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017PhRvB..95s5159L','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017PhRvB..95s5159L"><span>Oxygen-vacancy driven <span class="hlt">electron</span> <span class="hlt">localization</span> and itinerancy in rutile-based TiO2</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Lechermann, Frank; Heckel, Wolfgang; Kristanovski, Oleg; Müller, Stefan</p> <p>2017-05-01</p> <p>Oxygen-deficient TiO2 in the rutile structure as well as the Ti3O5 Magnéli phase is investigated within the charge self-consistent combination of density functional theory with dynamical mean-field theory. It is shown that an isolated oxygen vacancy (VO) in titanium dioxide is not sufficient to metallize the system at low temperatures. In a semiconducting phase, an in-gap state is identified at ɛIG˜-0.75 eV in excellent agreement with experimental data. Bandlike impurity levels, resulting from a threefold VO-Ti coordination as well as entangled (t2 g,eg) states, become <span class="hlt">localized</span> due to site-dependent <span class="hlt">electronic</span> correlations. Charge <span class="hlt">localization</span> and strong orbital polarization occur in the VO-near Ti ions, the details of which can be modified by a variation of the correlated subspace. At higher oxygen vacancy concentration, a correlated metal is stabilized in the Magnéli phase. A VO-defect rutile structure of identical stoichiometry shows key differences in the orbital-resolved character and the spectral properties. Charge disproportionation is vital in the oxygen-deficient compounds, but obvious metal-insulator transitions driven or sustained by charge order are not identified.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2010JChPh.132h4110A','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2010JChPh.132h4110A"><span><span class="hlt">Localized</span> Hartree product treatment of multiple protons in the nuclear-<span class="hlt">electronic</span> orbital framework</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Auer, Benjamin; Hammes-Schiffer, Sharon</p> <p>2010-02-01</p> <p>An approximation for treating multiple quantum nuclei within the nuclear-<span class="hlt">electronic</span> orbital (NEO) framework for molecular systems is presented. In the approximation to NEO-Hartree-Fock, the nuclear wave function is represented by a Hartree product rather than a Slater determinant, corresponding to the neglect of the nuclear exchange interactions. In the approximation to NEO-density functional theory, the nuclear exchange-correlation functional is chosen to be the diagonal nuclear exchange interaction terms, thereby eliminating the nuclear self-interaction terms. To further enhance the simplicity and computational efficiency, the nuclear molecular orbitals or Kohn-Sham orbitals are expanded in terms of <span class="hlt">localized</span> nuclear basis sets. These approximations are valid because of the inherent <span class="hlt">localization</span> of the nuclear orbitals and the numerical insignificance of the nuclear exchange interactions in molecular systems. Moreover, these approximations lead to substantial computational savings due to the reduction in both the number of integrals that must be calculated and the size of the matrices that must be diagonalized. These nuclear Hartree product approximation (HPA) methods scale linearly with the number of quantum protons and are highly parallelizable. Applications to a water hexamer, glycine dimer, and 32-water cluster, where all hydrogen nuclei are treated quantum mechanically, illustrate the accuracy and computational efficiency of the nuclear HPA methods. These strategies will facilitate the implementation of explicitly correlated NEO methods for molecular systems with multiple quantum protons.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4450755','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4450755"><span>Carrier type inversion in quasi-free standing graphene: studies of <span class="hlt">local</span> <span class="hlt">electronic</span> and structural properties</span></a></p> <p><a target="_blank" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Melios, Christos; Panchal, Vishal; Giusca, Cristina E.; Strupiński, Włodek; Silva, S. Ravi P.; Kazakova, Olga</p> <p>2015-01-01</p> <p>We investigate the <span class="hlt">local</span> surface potential and Raman characteristics of as-grown and ex-situ hydrogen intercalated quasi-free standing graphene on 4H-SiC(0001) grown by chemical vapor deposition. Upon intercalation, transport measurements reveal a change in the carrier type from n- to p-type, accompanied by a more than three-fold increase in carrier mobility, up to μh ≈ 4540 cm2 V−1 s−1. On a <span class="hlt">local</span> scale, Kelvin probe force microscopy provides a complete and detailed map of the surface potential distribution of graphene domains of different thicknesses. Rearrangement of graphene layers upon intercalation to (n + 1)LG, where n is the number of graphene layers (LG) before intercalation, is demonstrated. This is accompanied by a significant increase in the work function of the graphene after the H2-intercalation, which confirms the change of majority carriers from <span class="hlt">electrons</span> to holes. Raman spectroscopy and mapping corroborate surface potential studies. PMID:26030153</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016PhRvE..93f2209D','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016PhRvE..93f2209D"><span><span class="hlt">Local</span> instability driving extreme events in a pair of coupled chaotic <span class="hlt">electronic</span> circuits</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>de Oliveira, Gilson F.; Di Lorenzo, Orlando; de Silans, Thierry Passerat; Chevrollier, Martine; Oriá, Marcos; Cavalcante, Hugo L. D. de Souza</p> <p>2016-06-01</p> <p>For a long time, extreme events happening in complex systems, such as financial markets, earthquakes, and neurological networks, were thought to follow power-law size distributions. More recently, evidence suggests that in many systems the largest and rarest events differ from the other ones. They are dragon kings, outliers that make the distribution deviate from a power law in the tail. Understanding the processes of formation of extreme events and what circumstances lead to dragon kings or to a power-law distribution is an open question and it is a very important one to assess whether extreme events will occur too often in a specific system. In the particular system studied in this paper, we show that the rate of occurrence of dragon kings is controlled by the value of a parameter. The system under study here is composed of two nearly identical chaotic oscillators which fail to remain in a permanently synchronized state when coupled. We analyze the statistics of the desynchronization events in this specific example of two coupled chaotic <span class="hlt">electronic</span> circuits and find that modifying a parameter associated to the <span class="hlt">local</span> instability responsible for the loss of synchronization reduces the occurrence of dragon kings, while preserving the power-law distribution of small- to intermediate-size events with the same scaling exponent. Our results support the hypothesis that the dragon kings are caused by <span class="hlt">local</span> instabilities in the phase space.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.osti.gov/scitech/biblio/21491548','SCIGOV-STC'); return false;" href="https://www.osti.gov/scitech/biblio/21491548"><span>Combined Modality Therapy Including Intraoperative <span class="hlt">Electron</span> Irradiation for <span class="hlt">Locally</span> Recurrent Colorectal Cancer</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Haddock, Michael G.; Miller, Robert C.; Nelson, Heidi; Pemberton, John H.; Dozois, Eric J.; Alberts, Steven R.; Gunderson, Leonard L.</p> <p>2011-01-01</p> <p>Purpose: To evaluate survival, relapse patterns, and prognostic factors in patients with colorectal cancer relapse treated with curative-intent therapy, including intraoperative <span class="hlt">electron</span> radiation therapy (IOERT). Methods and Materials: From April 1981 through January 2008, 607 patients with recurrent colorectal cancer received IOERT as a component of treatment. IOERT was preceded or followed by external radiation (median dose, 45.5 Gy) in 583 patients (96%). Resection was classified as R0 in 227 (37%), R1 in 224 (37%), and R2 in 156 (26%). The median IOERT dose was 15 Gy (range, 7.5-30 Gy). Results: Median overall survival was 36 months. Five- and 10-year survival rates were 30% and 16%, respectively. Survival estimates at 5 years were 46%, 27%, and 16% for R0, R1, and R2 resection, respectively. Multivariate analysis revealed that R0 resection, no prior chemotherapy, and more recent treatment (in the second half of the series) were associated with improved survival. The 3-year cumulative incidence of central, <span class="hlt">local</span>, and distant relapse was 12%, 23%, and 49%, respectively. Central and <span class="hlt">local</span> relapse were more common in previously irradiated patients and in those with subtotal resection. Toxicity Grade 3 or higher partially attributable to IOERT was observed in 66 patients (11%). Neuropathy was observed in 94 patients (15%) and was more common with IOERT doses exceeding 12.5 Gy. Conclusions: Long-term survival and disease control was achievable in patients with <span class="hlt">locally</span> recurrent colorectal cancer. Continued evaluation of curative-intent, combined-modality therapy that includes IOERT is warranted in this high-risk population.</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_17");'>17</a></li> <li><a href="#" onclick='return showDiv("page_18");'>18</a></li> <li class="active"><span>19</span></li> <li><a href="#" onclick='return showDiv("page_20");'>20</a></li> <li><a href="#" onclick='return showDiv("page_21");'>21</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_19 --> <div id="page_20" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_18");'>18</a></li> <li><a href="#" onclick='return showDiv("page_19");'>19</a></li> <li class="active"><span>20</span></li> <li><a href="#" onclick='return showDiv("page_21");'>21</a></li> <li><a href="#" onclick='return showDiv("page_22");'>22</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="381"> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.osti.gov/scitech/biblio/988274','SCIGOV-STC'); return false;" href="https://www.osti.gov/scitech/biblio/988274"><span>Electric Field Tuned Crossover from Classical to Weakly <span class="hlt">Localized</span> Quantum Transport in <span class="hlt">Electron</span> Doped SrTiO3</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Ngai, J.H.; Segal, Y.; Su, D.; Zhu, Y.; Walker, F.J.; Ismail-Beigi, S.; Le Hur, K.; Ahn, C.H.</p> <p>2010-06-21</p> <p><span class="hlt">Electron</span> gases created by modulating the charge density near interfaces and surfaces of insulating SrTiO{sub 3} offer a wide range of tunable behavior. Here, we utilize the nonlinear dielectric response of SrTiO{sub 3} to electrostatically manipulate the spatial confinement of an <span class="hlt">electron</span> gas relative to an interface, where scattering is enhanced. Magnetotransport measurements reveal that the <span class="hlt">electron</span> gas can be tuned from weakly <span class="hlt">localized</span> to classical transport regimes. This crossover in transport demonstrates that elastic scattering can be electrostatically controlled, providing another degree of tunability for <span class="hlt">electron</span> gases in SrTiO{sub 3}.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2013Nanos...510887S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2013Nanos...510887S"><span><span class="hlt">Electron</span> beam induced <span class="hlt">local</span> crystallization of HfO2 nanopores for biosensing applications</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Shim, Jiwook; Rivera, Jose A.; Bashir, Rashid</p> <p>2013-10-01</p> <p>We report the development of single, <span class="hlt">locally</span> crystallized nanopores in HfO2 membranes for biosensing applications. HfO2 is chosen for its isoelectric point of 7.0, mechanical and chemical stability in solution, and for its potential as a high-k material for nanopore ionic field effect transistor applications. The HfO2 membrane is deposited on a graphene layer suspended over a 300 nm FIB hole, where graphene is used as the mechanical support. Exposure of the membrane to a focused <span class="hlt">electron</span> beam causes crystallization in the vicinity of the nanopore during pore formation. We investigate the effects of crystallization on the electrical and surface properties of HfO2 films. Our surface analysis of HfO2 reveals improved hydrophilicity of crystallized HfO2, a notable advantage over the hydrophobicity of as-deposited HfO2. We also demonstrate detection of dsDNA translocation through HfO2 nanopores under various applied bias levels. In addition, our device architecture also presents a promising first step toward the realization of high-k HfO2 nanopore transistors.We report the development of single, <span class="hlt">locally</span> crystallized nanopores in HfO2 membranes for biosensing applications. HfO2 is chosen for its isoelectric point of 7.0, mechanical and chemical stability in solution, and for its potential as a high-k material for nanopore ionic field effect transistor applications. The HfO2 membrane is deposited on a graphene layer suspended over a 300 nm FIB hole, where graphene is used as the mechanical support. Exposure of the membrane to a focused <span class="hlt">electron</span> beam causes crystallization in the vicinity of the nanopore during pore formation. We investigate the effects of crystallization on the electrical and surface properties of HfO2 films. Our surface analysis of HfO2 reveals improved hydrophilicity of crystallized HfO2, a notable advantage over the hydrophobicity of as-deposited HfO2. We also demonstrate detection of dsDNA translocation through HfO2 nanopores under various applied</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2004AGUFMSM23A0466P','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2004AGUFMSM23A0466P"><span><span class="hlt">Local</span> <span class="hlt">Electron</span> Density Measurements from Sounding Experiments by RPI on IMAGE</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Proddaturi, R.; Sonwalkar, V. S.; Li, J.; Venkatasubramanian, A.; Carpenter, D.; Benson, R.; Reinisch, B.</p> <p>2004-12-01</p> <p>RPI sounding experiments lead to a variety of echoes, propagating in various plasma wave modes, and <span class="hlt">local</span> resonances. Characteristic frequencies of these echoes and resonances can be used to determine the <span class="hlt">local</span> plasma frequency and thus the <span class="hlt">local</span> <span class="hlt">electron</span> density. In this work we have estimated plasma frequency by two methods: (1) using upper hybrid frequency measured from the diffuse Z mode echo upper cutoff and gyro-frequency measured from a gap in the diffuse Z mode echo or from resonances at the multiples of gyrofrequency, (2) upper hybrid frequency from the diffuse Z mode and the free space cutoff frequency fR=0 from the R-X mode echo. Broadband diffuse Z-mode echoes occur 90% of the time at high latitudes (λ m>45oS) near perigee in the southern hemisphere, where fpe << fce. In the middle and low latitudes (λ m<45oS), where fpe >> fce, Z-mode echoes are narrowband and are often accompanied by Qn and Dn resonances. The free space R-X mode echoes are commonly observed at both high and low latitudes. Multiples of gyrofrequency are typically observed at mid- to low-latitude in both the northern and southern hemisphere and at high latitude in the northern hemisphere. RPI plasmagrams were analyzed for three orbits (apogee to apogee) in the year 2002. These three orbits were selected because suitable sounding programs, those that can cover Z mode bandwidth over a wide range of latitude, were used, and also because a large number of diffuse Z mode echoes were actually observed. <span class="hlt">Electron</span> densities as low as 10 el/cc and as high as 9000 el/cc were measured. The transmission frequencies place a limitation on the upper and lower limits of measurable fpe. The measured fpe values showed good agreement with measurements made from the thermal noise but showed large deviations when compared with model fpe values. For a particular orbit on August 26, 2002, Ne measured was as low as ˜20 el/cc at higher altitudes outside the plasmasphere (λ m > 60oN, altitude >7000 km, MLT=1</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/27844065','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/27844065"><span>A soft X-ray spectroscopic perspective of <span class="hlt">electron</span> <span class="hlt">localization</span> and transport in tungsten doped bismuth vanadate single crystals.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Jovic, Vedran; Rettie, Alexander J E; Singh, Vijay R; Zhou, Jianshi; Lamoureux, Bethany; Buddie Mullins, C; Bluhm, Hendrik; Laverock, Jude; Smith, Kevin E</p> <p>2016-11-23</p> <p>Doped BiVO4 is a promising photoelectrochemical water splitting anode, whose activity is hampered by poor charge transport. Here we use a set of X-ray spectroscopic methods to probe the origin and nature of <span class="hlt">localized</span> <span class="hlt">electron</span> states in W:BiVO4. Furthermore, using the polarized nature of the X-rays, we probe variations in the <span class="hlt">electronic</span> structure along the crystal axes. In this manner, we reveal aspects of the <span class="hlt">electronic</span> structure related to <span class="hlt">electron</span> <span class="hlt">localization</span> and observations consistent with conductivity anisotropy between the ab-plane and c-axis. We verify that tungsten substitutes as W(6+) for V(5+) in BiVO4. This is shown to result in the presence of inter-band gap states related to <span class="hlt">electrons</span> at V(4+) sites of e symmetry. The energetic position of the states in the band gap suggest that they are highly <span class="hlt">localized</span> and may act as recombination centres. Polarization dependent X-ray absorption spectra reveal anisotropy in the <span class="hlt">electronic</span> structure between the ab-plane and c-axis. Results show the superior hybridization between V 3d and O 2p states, higher V wavefunction overlap and broader conduction bands in the ab-plane than in the c-axis. These insights into the <span class="hlt">electronic</span> structure are discussed in the context of existing experimental and theoretical reports regarding charge transport in BiVO4.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017HEDP...24...56S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017HEDP...24...56S"><span>An improved and fully implicit multi-group non-<span class="hlt">local</span> <span class="hlt">electron</span> transport model and its validations</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Sijoy, C. D.; Mishra, V.; Chaurasia, S.</p> <p>2017-09-01</p> <p>The combined effect of thermal flux inhibition and non-<span class="hlt">local</span> <span class="hlt">electron</span> heat flux in the radiation hydrodynamics (RHD) simulation of laser-driven systems can be accurately predicted by using non-<span class="hlt">local</span> <span class="hlt">electron</span> transport (NLET) models. These models can avoid commonly used space and time-independent ad-hoc flux-limiting procedures. However, the use of classical <span class="hlt">electron</span> collision frequency in these models is rigorously valid for high temperature non-degenerate plasmas. In laser-driven systems, the <span class="hlt">electron</span> thermal energy transport is important in regions between the critical density and ablation surface where the plasma is partially degenerate. Therefore, an improved model for <span class="hlt">electron</span> collision frequency in this regime is required to accurately predict the thermal energy transport. Previously, we have reported an improved single group non-<span class="hlt">local</span> <span class="hlt">electron</span> transport model by using a wide-range <span class="hlt">electron</span> collision frequency model valid from warm-dense matter (WDM) to fully ionized plasmas. In this work, we have extended this idea into a two-dimensional multi-group non-<span class="hlt">local</span> <span class="hlt">electron</span> transport (MG-NLET) model. Moreover, we have used a fully implicit numerical integration scheme in which the models for multi-group thermal radiation transport, laser absorption, <span class="hlt">electron</span>-ion thermal energy relaxation and ion heat conduction are included in a single step. The performance of this improved MG-NLET model has been assessed by comparing the simulated foil trajectories with the reported experimental data for laser-driven plastic foils. The results indicate that the improved model yields results that are in better agreement with the experimental data.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.osti.gov/scitech/biblio/20864316','SCIGOV-STC'); return false;" href="https://www.osti.gov/scitech/biblio/20864316"><span>Photodissociation dynamics of fluorobenzene (C{sub 6}H{sub <span class="hlt">5</span>}<span class="hlt">F</span>) at 157 and 193 nm: Branching ratios and distributions of kinetic energy</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Lee, S.-H.; Wu, C.-Y.; Yang, S.-K.; Lee, Y.-P.</p> <p>2006-10-14</p> <p>Following photodissociation of fluorobenzene (C{sub 6}H{sub <span class="hlt">5</span>}<span class="hlt">F</span>) at 193 and 157 nm, we detected the products with fragmentation-translational spectroscopy by utilizing a tunable vacuum ultraviolet beam from a synchrotron for ionization. Between two primary dissociation channels observed upon irradiation at 193 (157) nm, the HF-elimination channel C{sub 6}H{sub <span class="hlt">5</span>}<span class="hlt">F</span>{yields}HF+C{sub 6}H{sub 4} dominates, with a branching ratio of 0.94{+-}0.02 (0.61{+-}0.05) and an average release of kinetic energy of 103 (108) kJ mol{sup -1}; the H-elimination channel C{sub 6}H{sub <span class="hlt">5</span>}<span class="hlt">F</span>{yields}H+C{sub 6}H{sub 4}F has a branching ratio of 0.06{+-}0.02 (0.39{+-}0.05) and an average release of kinetic energy of 18.6 (26.8) kJ mol{sup -1}. Photofragments H, HF, C{sub 6}H{sub 4}, and C{sub 6}H{sub 4}F produced via the one-photon process have nearly isotropic angular distributions. Both the HF-elimination and the H-elimination channels likely proceed via the ground-state <span class="hlt">electronic</span> surface following internal conversion of C{sub 6}H{sub <span class="hlt">5</span>}<span class="hlt">F</span>; these channels exhibit small fractions of kinetic energy release from the available energy, indicating that the molecular fragments are highly internally excited. We also determined the ionization energy of C{sub 6}H{sub 4}F to be 8.6{+-}0.2 eV.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/22865398','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/22865398"><span><span class="hlt">Electronic</span> fluxes during Diels-Alder reactions involving 1,2-benzoquinones: mechanistic insights from the analysis of <span class="hlt">electron</span> <span class="hlt">localization</span> function and catastrophe theory.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>González-Navarrete, Patricio; Domingo, Luis R; Andrés, Juan; Berski, Slawomir; Silvi, Bernard</p> <p>2012-11-15</p> <p>By means of the joint use of <span class="hlt">electron</span> <span class="hlt">localization</span> function (ELF) and Thom's catastrophe theory, a theoretical analysis of the energy profile for the hetero-Diels-Alder reaction of 4-methoxy-1,2-benzoquinone 1 and methoxyethylene 2 has been carried out. The 12 different structural stability domains obtained by the bonding evolution theory have been identified as well as the bifurcation catastrophes (fold and cusp) responsible for the changes in the topology of the system. This analysis permits finding a relationship between the ELF topology and the evolution of the bond breaking/forming processes and <span class="hlt">electron</span> pair rearrangements through the reaction progress in terms of the different ways of pairing up the <span class="hlt">electrons</span>. The reaction mechanism corresponds to an asynchronous <span class="hlt">electronic</span> flux; first, the O1-C5 bond is formed by the nucleophilic attack of the C5 carbon of the <span class="hlt">electron</span> rich ethylene 2 on the most electrophilically activated carbonyl O1 oxygen of 1, and once the σ bond has been completed, the formation process of the second O4C6 bond takes place. In addition, the values of the <span class="hlt">local</span> electrophilicity and <span class="hlt">local</span> nucleophilcity indices in the framework of conceptual density functional theory accounts for the asychronicity of the process as well as for the observed regioselectivity. Copyright © 2012 Wiley Periodicals, Inc.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017GeoRL..44.4393X','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017GeoRL..44.4393X"><span>Relativistic <span class="hlt">electron</span>'s butterfly pitch angle distribution modulated by <span class="hlt">localized</span> background magnetic field perturbation driven by hot ring current ions</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Xiong, Ying; Chen, Lunjin; Xie, Lun; Fu, Suiyan; Xia, Zhiyang; Pu, Zuyin</p> <p>2017-05-01</p> <p>Dayside modulated relativistic <span class="hlt">electron</span>'s butterfly pitch angle distributions (PADs) from ˜200 keV to 2.6 MeV were observed by Van Allen Probe B at L = 5.3 on 15 November 2013. They were associated with <span class="hlt">localized</span> magnetic dip driven by hot ring current ion (60-100 keV proton and 60-200 keV helium and oxygen) injections. We reproduce the <span class="hlt">electron</span>'s butterfly PADs at satellite's location using test particle simulation. The simulation results illustrate that a negative radial flux gradient contributes primarily to the formation of the modulated <span class="hlt">electron</span>'s butterfly PADs through inward transport due to the inductive electric field, while deceleration due to the inductive electric field and pitch angle change also makes in part contribution. We suggest that <span class="hlt">localized</span> magnetic field perturbation, which is a frequent phenomenon in the magnetosphere during magnetic disturbances, is of great importance for creating <span class="hlt">electron</span>'s butterfly PADs in the Earth's radiation belts.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017EGUGA..19.4334X','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017EGUGA..19.4334X"><span>Relativistic <span class="hlt">electron</span>'s butterfly pitch angle distribution modulated by <span class="hlt">localized</span> background magnetic field perturbation driven by hot ring current ions</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Xiong, Ying; Chen, Lunjin; Xie, Lun; Fu, Suiyan; Pu, Zuyin</p> <p>2017-04-01</p> <p>Dayside modulated relativistic <span class="hlt">electron</span>'s butterfly pitch angle distributions (PADs) from 200 keV to 2.6 MeV was observed by Van Allen Probe-B at L = 5.3 on November 15, 2013. They were associated with <span class="hlt">localized</span> magnetic dip driven by hot ring current ion (60-100 keV protons and 60-200 keV oxygen) injections. We reproduce the <span class="hlt">electron</span>'s butterfly PADs at satellite's location using test particle simulation. The simulation results illustrate that negative radial flux gradient contributes primarily to the formation of the modulated <span class="hlt">electron</span>'s butterfly PADs through inward transport due to the inductive electric field, while deceleration due to the inductive electric field and pitch angle change make in part contribution. We suggest that <span class="hlt">localized</span> magnetic field perturbation, which is a frequent phenomenon in the magnetosphere during magnetic disturbances, is of great importance for creating <span class="hlt">electron</span>'s butterfly PADs in the Earth's radiation belts.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017PhRvB..96l5410T','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017PhRvB..96l5410T"><span>Visualizing buried silicon atoms at the Cd-Si(111)-7 ×7 interface with <span class="hlt">localized</span> <span class="hlt">electrons</span></span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Tao, Min-Long; Xiao, Hua-Fang; Sun, Kai; Tu, Yu-Bing; Yuan, Hong-Kuan; Xiong, Zu-Hong; Wang, Jun-Zhong; Xue, Qi-Kun</p> <p>2017-09-01</p> <p>We report the atomic-scale imaging of the buried Cd-Si(111)-7 ×7 interface with a low temperature scanning tunneling microscopy (STM). The Cd(0001) films grown on Si(111)-7 ×7 reveal the <span class="hlt">electronic</span> growth mode, and manifest a series of quantum-well states. In the low-bias STM images, not only the 7 ×7 reconstruction but also individual Si adatoms buried by thick Cd islands are clearly visible. The two successive layers of Cd islands exhibit the distinct contrasts due to the quantum size effect. Moreover, we found a small gap appeared at Fermi level owing to the Anderson <span class="hlt">localization</span> induced by interface scattering. The perfect transparency of Cd films can be attributed to the anisotropic <span class="hlt">electron</span> motion, i.e., lateral <span class="hlt">electron</span> <span class="hlt">localization</span> and transverse motion like free-<span class="hlt">electron</span>.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.osti.gov/pages/biblio/1341858-roles-orbitals-bonding-magnetochemical-crystal-field-density-functional-theory-multi-reference-wavefunction-study','SCIGOV-DOEP'); return false;" href="https://www.osti.gov/pages/biblio/1341858-roles-orbitals-bonding-magnetochemical-crystal-field-density-functional-theory-multi-reference-wavefunction-study"><span>The roles of 4f- and <span class="hlt">5</span><span class="hlt">f</span>-orbitals in bonding: A magnetochemical, crystal field, density functional theory, and multi-reference wavefunction study</span></a></p> <p><a target="_blank" href="http://www.osti.gov/pages">DOE PAGES</a></p> <p>Lukens, Wayne W.; Speldrich, Manfred; Yang, Ping; ...</p> <p>2016-05-31</p> <p>The <span class="hlt">electronic</span> structures of 4f3/<span class="hlt">5</span><span class="hlt">f</span>3 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 <span class="hlt">electron</span> 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 <span class="hlt">electronic</span> structure analysis derived from the crystal-field calculations. The results highlight that the <span class="hlt">5</span><span class="hlt">f</span>-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 <span class="hlt">5</span><span class="hlt">f</span> 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</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=2954429','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=2954429"><span><span class="hlt">Local</span> Dynamic Stability Assessment of Motion Impaired Elderly Using <span class="hlt">Electronic</span> Textile Pants</span></a></p> <p><a target="_blank" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Liu, Jian; Lockhart, Thurmon E.; Jones, Mark; Martin, Tom</p> <p>2010-01-01</p> <p>A clear association has been demonstrated between gait stability and falls in the elderly. Integration of wearable computing and human dynamic stability measures into home automation systems may help differentiate fall-prone individuals in a residential environment. The objective of the current study was to evaluate the capability of a pair of <span class="hlt">electronic</span> textile (e-textile) pants system to assess <span class="hlt">local</span> dynamic stability and to differentiate motion-impaired elderly from their healthy counterparts. A pair of e-textile pants comprised of numerous e-TAGs at locations corresponding to lower extremity joints was developed to collect acceleration, angular velocity and piezoelectric data. Four motion-impaired elderly together with nine healthy individuals (both young and old) participated in treadmill walking with a motion capture system simultaneously collecting kinematic data. <span class="hlt">Local</span> dynamic stability, characterized by maximum Lyapunov exponent, was computed based on vertical acceleration and angular velocity at lower extremity joints for the measurements from both e-textile and motion capture systems. Results indicated that the motion-impaired elderly had significantly higher maximum Lyapunov exponents (computed from vertical acceleration data) than healthy individuals at the right ankle and hip joints. In addition, maximum Lyapunov exponents assessed by the motion capture system were found to be significantly higher than those assessed by the e-textile system. Despite the difference between these measurement techniques, attaching accelerometers at the ankle and hip joints was shown to be an effective sensor configuration. It was concluded that the e-textile pants system, via dynamic stability assessment, has the potential to identify motion-impaired elderly. PMID:20953265</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/20953265','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/20953265"><span><span class="hlt">Local</span> Dynamic Stability Assessment of Motion Impaired Elderly Using <span class="hlt">Electronic</span> Textile Pants.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Liu, Jian; Lockhart, Thurmon E; Jones, Mark; Martin, Tom</p> <p>2008-10-01</p> <p>A clear association has been demonstrated between gait stability and falls in the elderly. Integration of wearable computing and human dynamic stability measures into home automation systems may help differentiate fall-prone individuals in a residential environment. The objective of the current study was to evaluate the capability of a pair of <span class="hlt">electronic</span> textile (e-textile) pants system to assess <span class="hlt">local</span> dynamic stability and to differentiate motion-impaired elderly from their healthy counterparts. A pair of e-textile pants comprised of numerous e-TAGs at locations corresponding to lower extremity joints was developed to collect acceleration, angular velocity and piezoelectric data. Four motion-impaired elderly together with nine healthy individuals (both young and old) participated in treadmill walking with a motion capture system simultaneously collecting kinematic data. <span class="hlt">Local</span> dynamic stability, characterized by maximum Lyapunov exponent, was computed based on vertical acceleration and angular velocity at lower extremity joints for the measurements from both e-textile and motion capture systems. Results indicated that the motion-impaired elderly had significantly higher maximum Lyapunov exponents (computed from vertical acceleration data) than healthy individuals at the right ankle and hip joints. In addition, maximum Lyapunov exponents assessed by the motion capture system were found to be significantly higher than those assessed by the e-textile system. Despite the difference between these measurement techniques, attaching accelerometers at the ankle and hip joints was shown to be an effective sensor configuration. It was concluded that the e-textile pants system, via dynamic stability assessment, has the potential to identify motion-impaired elderly.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017JGRA..122..293K','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017JGRA..122..293K"><span>Rapid precipitation of radiation belt <span class="hlt">electrons</span> induced by EMIC rising tone emissions <span class="hlt">localized</span> in longitude inside and outside the plasmapause</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Kubota, Yuko; Omura, Yoshiharu</p> <p>2017-01-01</p> <p>By performing test particle simulations of relativistic <span class="hlt">electrons</span> scattered by electromagnetic ion cyclotron (EMIC) rising tone emissions, we find a nonlinear scattering process named SLPA (Scattering at Low Pitch Angle) totally different from the nonlinear wave trapping. The nonlinear wave trapping, occurring for high pitch angles away from the loss cone, scatters some of resonant <span class="hlt">electrons</span> to lower pitch angles, and a fraction of the <span class="hlt">electrons</span> is further transported into the loss cone by SLPA after being released from the wave trapping. SLPA as well as the nonlinear wave trapping can work in any cases with proton band or helium band and inside or outside the plasmapause. We clarify that the combined scattering process causes significant depletion of the outer radiation belt. In the time evolution of an <span class="hlt">electron</span> distribution observed <span class="hlt">locally</span> in longitude, we find echoes of the <span class="hlt">electron</span> depletion by the <span class="hlt">localized</span> EMIC emissions. Monitoring fluxes of <span class="hlt">electrons</span> being lost into the atmosphere in the wave generation region, we also find that efficient relativistic <span class="hlt">electron</span> precipitation in several seconds. The characteristics of the precipitating <span class="hlt">electron</span> flux as a function of kinetic energy vary significantly depending on the wave frequency range and the plasma density.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5042653','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5042653"><span>Quantitative imaging reveals real-time Pou<span class="hlt">5</span><span class="hlt">f</span>3–Nanog complexes driving dorsoventral mesendoderm patterning in zebrafish</span></a></p> <p><a target="_blank" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Perez-Camps, Mireia; Tian, Jing; Chng, Serene C; Sem, Kai Pin; Sudhaharan, Thankiah; Teh, Cathleen; Wachsmuth, Malte; Korzh, Vladimir; Ahmed, Sohail; Reversade, Bruno</p> <p>2016-01-01</p> <p>Formation of the three embryonic germ layers is a fundamental developmental process that initiates differentiation. How the zebrafish pluripotency factor Pou<span class="hlt">5</span><span class="hlt">f</span>3 (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 Pou<span class="hlt">5</span><span class="hlt">f</span>3 complexes with other transcription factors in real-time in gastrulating zebrafish embryos. We show, at single-cell resolution in vivo, that Pou<span class="hlt">5</span><span class="hlt">f</span>3 complexes with Nanog to pattern mesendoderm differentiation at the blastula stage. Later, during gastrulation, Sox32 restricts Pou<span class="hlt">5</span><span class="hlt">f</span>3–Nanog complexes to the ventrolateral mesendoderm by binding Pou<span class="hlt">5</span><span class="hlt">f</span>3 or Nanog in prospective dorsal endoderm. In the ventrolateral endoderm, the Elabela / Aplnr pathway limits Sox32 levels, allowing the formation of Pou<span class="hlt">5</span><span class="hlt">f</span>3–Nanog complexes and the activation of downstream BMP signaling. This quantitative model shows that a balance in the spatiotemporal distribution of Pou<span class="hlt">5</span><span class="hlt">f</span>3–Nanog complexes, modulated by Sox32, regulates mesendoderm specification along the dorsoventral axis. DOI: http://dx.doi.org/10.7554/eLife.11475.001 PMID:27684073</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2014JPSCP...1a5030Y','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2014JPSCP...1a5030Y"><span>Probability Density Functions of Floating Potential Fluctuations Due to <span class="hlt">Local</span> <span class="hlt">Electron</span> Flux Intermittency in a Linear ECR Plasma</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Yoshimura, Shinji; Terasaka, Kenichiro; Tanaka, Eiki; Aramaki, Mitsutoshi; Tanaka, Masayoshi Y.</p> <p></p> <p>An intermittent behavior of <span class="hlt">local</span> <span class="hlt">electron</span> flux in a laboratory ECR plasma is statistically analyzed by means of probability density functions (PDFs). The PDF constructed from a time series of the floating potential signal on a Langmuir probe has a fat tail in the negative value side, which reflects the intermittency of the <span class="hlt">local</span> <span class="hlt">electron</span> flux. The PDF of the waiting time, which is defined by the time interval between two successive events, is found to exhibit an exponential distribution, suggesting that the phenomenon is characterized by a stationary Poisson process. The underlying Poisson process is also confirmed by the number of events in given time intervals that is Poisson distributed.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2011PhDT.......173L','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2011PhDT.......173L"><span>Bulk and <span class="hlt">Local</span> <span class="hlt">Electron</span> Transport and Optical Properties of Aluminum-doped Zinc Oxide</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Likovich, Edward Michael</p> <p></p> <p>ZnO is a promising transparent conducting oxide (TCO) because its components are naturally abundant and inexpensive; and ZnO can be synthesized by several methods as thin films and nanostructures. Doping ZnO with Al (to form what is called AZO) significantly increases electrical conductivity while retaining high optical transparency, making AZO ideal for use as transparent electrodes in optoelectronic devices. However, the electrical conductivity of AZO has not exceeded that of indium tin oxide (ITO), the most widely-utilized TCO. A systematic study of bulk and <span class="hlt">local</span> electrical and optical properties of AZO is needed to improve conductivity while maintaining transparency. To this end, we conducted bulk magnetotransport measurements on AZO, which indicated that its <span class="hlt">electron</span> mobility was significantly lower than that of single-crystal ZnO, primarily due to <span class="hlt">electron</span> scattering at AZO grain boundaries. To further understand this detrimental effect, we directly probed these grain boundaries with a scanning tunneling microscope. These measurements are the first investigation of a broad spectrum of grain boundary traps in AZO, which include shallow states near the conduction band edge that may limit <span class="hlt">electron</span> mobility, and deeper states that may deplete carriers. Because optical properties can affect transparency in devices, we characterized AZO through a combination of photoluminescence and scanning tunneling microscope cathodoluminescence (STM-CL). STM-CL, which probes only the surface, shows a dramatic narrowing of emission lines compared to bulk photoluminescence. We attribute this to different charge states of oxygen vacancies preferentially located near the surface. This observed difference is especially of interest in understanding transport across interfaces. Finally, we present one application of AZO: a monolayer quantum dot (QD) light-emitting device with AZO electrodes that uses atomic layer deposited insulating oxide to fill the interstices among QDs. This</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/19021737','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/19021737"><span>Platypus Pou<span class="hlt">5</span><span class="hlt">f</span>1 reveals the first steps in the evolution of trophectoderm differentiation and pluripotency in mammals.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Niwa, Hitoshi; Sekita, Yoko; Tsend-Ayush, Enkhjargal; Grützner, Frank</p> <p>2008-01-01</p> <p>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 Pou<span class="hlt">5</span><span class="hlt">f</span>1 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, Pou<span class="hlt">5</span><span class="hlt">f</span>1 has only been identified in eutherian mammals and marsupials, whereas, in other vertebrates, pou2 is considered to be the Pou<span class="hlt">5</span><span class="hlt">f</span>1 ortholog. Here, we show that platypus and opossum genomes contain a Pou<span class="hlt">5</span><span class="hlt">f</span>1 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 Pou<span class="hlt">5</span><span class="hlt">f</span>1, but not opossum or zebrafish pou2, restores self-renewal in Pou<span class="hlt">5</span><span class="hlt">f</span>1-null mouse ES cells, showing that platypus possess a fully functional Pou<span class="hlt">5</span><span class="hlt">f</span>1 gene. Interestingly, we discovered that parts of one of the conserved regions (CR4) is missing from the platypus Pou<span class="hlt">5</span><span class="hlt">f</span>1 promoter, suggesting that the autoregulation and reciprocal inhibition between Pou<span class="hlt">5</span><span class="hlt">f</span>1 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.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/28471540','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/28471540"><span>In Vitro Antitumor Effects of AHR Ligands Aminoflavone (AFP 464) and Benzothiazole (<span class="hlt">5</span><span class="hlt">F</span> 203) in Human Renal Carcinoma Cells.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Luzzani, Gabriela A; Callero, Mariana A; Kuruppu, Anchala I; Trapani, Valentina; Flumian, Carolina; Todaro, Laura; Bradshaw, Tracey D; Loaiza Perez, Andrea I</p> <p>2017-05-04</p> <p>We investigated activity and mechanism of action of two AhR ligand antitumor agents, AFP 464 and <span class="hlt">5</span><span class="hlt">F</span> 203 on human renal cancer cells, specifically examining their effects on cell cycle progression, apoptosis, and migration. TK-10, SN12C, Caki-1, and ACHN human renal cancer cell lines were treated with AFP 464 and <span class="hlt">5</span><span class="hlt">F</span> 203. We evaluated cytotoxicity by MTS assays, cell cycle arrest, and apoptosis by flow cytometry and corroborated a mechanism of action involving AhR signal transduction activation. Changes in migration properties by wound healing assays were investigated: <span class="hlt">5</span><span class="hlt">F</span> 203-sensitive cells show decreased migration after treatment, therefore, we measured c-Met phosphorylation by Western blot in these cells. A <span class="hlt">5</span><span class="hlt">F</span> 203 induced a decrease in cell viability which was more marked than AFP 464. This cytotoxicity was reduced after treatment with the AhR inhibitor α-NF for both compounds indicating AhR signaling activation plays a role in the mechanism of action. A <span class="hlt">5</span><span class="hlt">F</span> 203 is sequestered by TK-10 cells and induces CYP1A1 expression; <span class="hlt">5</span><span class="hlt">F</span> 203 potently inhibited migration of TK-10, Caki-1, and SN12C cells, and inhibited c-Met receptor phosphorylation in TK-10 cells. AhR ligand antitumor agents AFP 464 and <span class="hlt">5</span><span class="hlt">F</span> 203 represent potential new candidates for the treatment of renal cancer. A <span class="hlt">5</span><span class="hlt">F</span> 203 only inhibited migration of sensitive cells and c-Met receptor phosphorylation in TK-10 cells. c-Met receptor signal transduction is important in migration and metastasis. Therefore, we consider that <span class="hlt">5</span><span class="hlt">F</span> 203 offers potential for the treatment of metastatic renal carcinoma. J. Cell. Biochem. 9999: 1-10, 2017. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.osti.gov/scitech/biblio/22492560','SCIGOV-STC'); return false;" href="https://www.osti.gov/scitech/biblio/22492560"><span>Strain <span class="hlt">localization</span> parameters of AlCu4MgSi processed by high-energy <span class="hlt">electron</span> beams</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Lunev, A. G. Nadezhkin, M. V.; Konovalov, S. V.; Teresov, A. D.</p> <p>2015-10-27</p> <p>The influence of the <span class="hlt">electron</span> beam surface treatment of AlCu4MgSi on the strain <span class="hlt">localization</span> parameters and on the critical strain value of the Portevin–Le Chatelier effect has been considered. The strain <span class="hlt">localization</span> parameters were measured using speckle imaging of the specimens subjected to the constant strain rate uniaxial tension at a room temperature. Impact of the surface treatment on the Portevin–Le Chatelier effect has been investigated.</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_18");'>18</a></li> <li><a href="#" onclick='return showDiv("page_19");'>19</a></li> <li class="active"><span>20</span></li> <li><a href="#" onclick='return showDiv("page_21");'>21</a></li> <li><a href="#" onclick='return showDiv("page_22");'>22</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_20 --> <div id="page_21" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_19");'>19</a></li> <li><a href="#" onclick='return showDiv("page_20");'>20</a></li> <li class="active"><span>21</span></li> <li><a href="#" onclick='return showDiv("page_22");'>22</a></li> <li><a href="#" onclick='return showDiv("page_23");'>23</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="401"> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2015PhRvB..92q4514T','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2015PhRvB..92q4514T"><span>Edge states and <span class="hlt">local</span> <span class="hlt">electronic</span> structure around an adsorbed impurity in a topological superconductor</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Tai, Yuan-Yen; Choi, Hongchul; Ahmed, Towfiq; Ting, C. S.; Zhu, Jian-Xin</p> <p>2015-11-01</p> <p>Recently, topological superconducting states have attracted much interest. In this paper, we consider a topological superconductor with Z2 topological mirror order [Y.-Y. Tai et al., Phys. Rev. B 91, 041111(R) (2015), 10.1103/PhysRevB.91.041111] and s±-wave superconducting pairing symmetry, within a two-orbital model originally designed for iron-based superconductivity [Y.-Y. Tai et al., Europhys. Lett. 103, 67001 (2013), 10.1209/0295-5075/103/67001]. We predict the existence of gapless edge states. We also study the <span class="hlt">local</span> <span class="hlt">electronic</span> structure around an adsorbed interstitial magnetic impurity in the system, and find the existence of low-energy in-gap bound states even with a weak spin polarization on the impurity. We also discuss the relevance of our results to a recent scanning tunneling microscopy experiment on a Fe(Te,Se) compound with an adsorbed Fe impurity [J.-X. Yin et al., Nat. Phys. 11, 543 (2015), 10.1038/nphys3371], for which our density functional calculations show the Fe impurity is spin polarized.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016APS..MAR.M1387H','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016APS..MAR.M1387H"><span><span class="hlt">Local</span> <span class="hlt">electronic</span> structure and ferromagnetic interaction in La(Co,Ni)O3</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Huang, Meng-Jie; Nagel, Peter; Fuchs, Dirk; von Loehneysen, Hilbert; Merz, Michael; Schuppler, Stefan</p> <p></p> <p>Perovskite-related transition-metal oxides exhibit a wide range of properties from insulating to superconducting as well as many peculiar magnetic phases, and cobaltites, in particular, have been known for their proximity to spin-state transitions. How this changes with partial substitution by Ni is the topic of the present study. The <span class="hlt">local</span> <span class="hlt">electronic</span> structure and the ferromagnetic interaction in La(Co1-xNix) O3 has been studied by x-ray absorption (XAS) and x-ray magnetic circular dichroism (XMCD). XAS clearly indicates a mixed-valence state for both Co and Ni, with both valences changing systematically with Ni content, x. While the gradual spin-state transition of Co3+ from low-spin (LS) to high-spin (HS) is preserved for low x it is suppressed in the high Ni-content samples. Regarding the spin configuration of Ni we find it stabilized in a ``mixed'' spin state, unlike the purely LS state of Ni in LaNiO3. XMCD identifies the element-specific contributions to the magnetic moment and interactions. In particular, we find that it must be the coexistence of the HS state in both Co3+ and Ni3 + that induces t2 g-based ferromagnetic interaction via the double-exchange mechanism.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/27110642','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/27110642"><span>Graphene Tunable Transparency to Tunneling <span class="hlt">Electrons</span>: A Direct Tool To Measure the <span class="hlt">Local</span> Coupling.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>González-Herrero, Héctor; Pou, Pablo; Lobo-Checa, Jorge; Fernández-Torre, Delia; Craes, Fabian; Martínez-Galera, Antonio J; Ugeda, Miguel M; Corso, Martina; Ortega, J Enrique; Gómez-Rodríguez, José M; Pérez, Rubén; Brihuega, Iván</p> <p>2016-05-24</p> <p>The <span class="hlt">local</span> interaction between graphene and a host substrate strongly determines the actual properties of the graphene layer. Here we show that scanning tunneling microscopy (STM) can selectively help to visualize either the graphene layer or the substrate underneath, or even both at the same time, providing a comprehensive picture of this coupling with atomic precision and high energy resolution. We demonstrate this for graphene on Cu(111). Our spectroscopic data show that, in the vicinity of the Fermi level, graphene π bands are well preserved presenting a small n-doping induced by Cu(111) surface state <span class="hlt">electrons</span>. Such results are corroborated by Angle-Resolved Photoemission Spectra (ARPES) and Density Functional Theory with van der Waals (DFT + vdW) calculations. Graphene tunable transparency also allows the investigation of the interaction between the substrate and foreign species (such as atomic H or C vacancies) on the graphene layer. Our calculations explain graphene tunable transparency in terms of the rather different decay lengths of the graphene Dirac π states and the metal surface state, suggesting that it should apply to a good number of graphene/substrate systems.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/2122572','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/2122572"><span>Entry and intracellular <span class="hlt">localization</span> of Brucella spp. in Vero cells: fluorescence and <span class="hlt">electron</span> microscopy.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Detilleux, P G; Deyoe, B L; Cheville, N F</p> <p>1990-09-01</p> <p>Vero cells were inoculated with the six species of Brucella (B. abortus, B. melitensis, B. suis, B. neotomae, B. canis, and B. ovis) and examined by fluorescence and <span class="hlt">electron</span> microscopy. All Brucella spp. were internalized by Vero cells. In all cells except those inoculated with B. canis, the numbers of intracellular brucellae increased with time after inoculation. Intracellular brucellae were first seen within phagosomes and phagolysosomes. Subsequent <span class="hlt">localization</span> within cisternae of the rough endoplasmic reticulum was seen with all species of Brucella, except B. canis, which was restricted to phagolysosomes. Although rough brucellae were more adherent and entered a greater number of Vero cells, intracellular replication occurred in a larger percentage of cells with smooth rather than with rough brucellae. These results suggest that phagocytosed Brucella spp. are transferred 1) to cisternae of the rough endoplasmic reticulum, where unrestricted bacterial replication takes place; or 2) to phagolysosomes in which Brucella spp. fail to replicate. The various strains of Brucella spp. differ in their ability to induce their own transfer to the rough endoplasmic reticulum.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=3867606','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=3867606"><span><span class="hlt">Electron</span> beam induced <span class="hlt">local</span> crystallization of HfO2 nanopores for biosensing applications</span></a></p> <p><a target="_blank" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Shim, Jiwook; Rivera, Jose; Bashir, Rashid</p> <p>2013-01-01</p> <p>We report the development of single, <span class="hlt">locally</span> crystallized nanopores in HfO2 membranes for biosensing applications. HfO2 is chosen for its isoelectric point of 7.0, mechanical and chemical stability in solution, and for its potential as a high-k material for nanopore ionic field effect transistor applications. The HfO2 membrane is deposited on a graphene layer suspended over a 300 nm FIB hole, where graphene is used as the mechanical support. Exposure of the membrane to a focused <span class="hlt">electron</span> beam causes crystallization in the vicinity of the nanopore during pore formation. We investigate the effects of crystallization on the electrical and surface properties of HfO2 films. Our surface analysis of HfO2 reveals improved hydrophilicity of crystallized HfO2, a notable advantage over the hydrophobicity of as-deposited HfO2. We also demonstrate detection of dsDNA translocation through HfO2 nanopores under various applied bias levels. In addition, our device architecture also presents a promising first step toward the realization of high-k HfO2 nanopore transistors. PMID:23945603</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/27093600','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/27093600"><span><span class="hlt">Local</span>, atomic-level elastic strain measurements of metallic glass thin films by <span class="hlt">electron</span> diffraction.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Ebner, C; Sarkar, R; Rajagopalan, J; Rentenberger, C</p> <p>2016-06-01</p> <p>A novel technique is used to measure the atomic-level elastic strain tensor of amorphous materials by tracking geometric changes of the first diffuse ring of selected area <span class="hlt">electron</span> diffraction patterns (SAD). An automatic procedure, which includes locating the centre and fitting an ellipse to the diffuse ring with sub-pixel precision is developed for extracting the 2-dimensional strain tensor from the SAD patterns. Using this technique, atomic-level principal strains from micrometre-sized regions of freestanding amorphous Ti0.45Al0.55 thin films were measured during in-situ TEM tensile deformation. The thin films were deformed using MEMS based testing stages that allow simultaneous measurement of the macroscopic stress and strain. The calculated atomic-level principal strains show a linear dependence on the applied stress, and good correspondence with the measured macroscopic strains. The calculated Poisson's ratio of 0.23 is reasonable for brittle metallic glasses. The technique yields a strain accuracy of about 1×10(-4) and shows the potential to obtain <span class="hlt">localized</span> strain profiles/maps of amorphous thin film samples. Copyright © 2016 Elsevier B.V. All rights reserved.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2015SurSc.641..310R','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2015SurSc.641..310R"><span><span class="hlt">Local</span> <span class="hlt">electronic</span> structure and photoelectrochemical activity of partial chemically etched Ti-doped hematite</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Rioult, Maxime; Belkhou, Rachid; Magnan, Hélène; Stanescu, Dana; Stanescu, Stefan; Maccherozzi, Francesco; Rountree, Cindy; Barbier, Antoine</p> <p>2015-11-01</p> <p>The direct conversion of solar light into chemical energy or fuel through photoelectrochemical water splitting is promising as a clean hydrogen production solution. Ti-doped hematite (Ti:α-Fe2O3) is a potential key photoanode material, which despite its optimal band gap, excellent chemical stability, abundance, non-toxicity and low cost, still has to be improved. Here we give evidence of a drastic improvement of the water splitting performances of Ti-doped hematite photoanodes upon a HCl wet-etching. In addition to the topography investigation by atomic force microscopy, a detailed determination of the <span class="hlt">local</span> <span class="hlt">electronic</span> structure has been carried out in order to understand the phenomenon and to provide new insights in the understanding of solar water splitting. Using synchrotron radiation based spectromicroscopy (X-PEEM), we investigated the X-ray absorption spectral features at the L3 Fe edge of the as grown surface and of the wet-etched surface on the very same sample thanks to patterning. We show that HCl wet etching leads to substantial surface modifications of the oxide layer including increased roughness and chemical reduction (presence of Fe2 +) without changing the band gap. We demonstrate that these changes are profitable and correlated to the drastic changes of the photocatalytic activity.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2007JPSJ...76h4702H','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2007JPSJ...76h4702H"><span>Enhanced Kondo Effect in an <span class="hlt">Electron</span> System Dynamically Coupled with <span class="hlt">Local</span> Optical Phonon</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Hotta, Takashi</p> <p>2007-08-01</p> <p>We discuss Kondo behavior of a conduction <span class="hlt">electron</span> system coupled with <span class="hlt">local</span> optical phonon by analyzing the Anderson-Holstein model with the use of a numerical renormalization group (NRG) method. There appear three typical regions due to the balance between Coulomb interaction Uee and phonon-mediated attraction Uph. For Uee>Uph, we observe the standard Kondo effect concerning spin degree of freedom. Since the Coulomb interaction is effectively reduced as Uee-Uph, the Kondo temperature TK is increased when Uph is increased. On the other hand, for Uee<Uph, there occurs the Kondo effect concerning charge degree of freedom, since vacant and double occupied states play roles of pseudo-spins. Note that in this case, TK is decreased with the increase of Uph. Namely, TK should be maximized for Uee≈ Uph. Then, we analyze in detail the Kondo behavior at Uee=Uph, which is found to be explained by the polaron Anderson model with reduced hybridization of polaron and residual repulsive interaction among polarons. By comparing the NRG results of the polaron Anderson model with those of the original Anderson-Holstein model, we clarify the Kondo behavior in the competing region of Uee≈ Uph.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/26224521','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/26224521"><span><span class="hlt">Local</span> sample thickness determination via scanning transmission <span class="hlt">electron</span> microscopy defocus series.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Beyer, A; Straubinger, R; Belz, J; Volz, K</p> <p>2016-05-01</p> <p>The usable aperture sizes in (scanning) transmission <span class="hlt">electron</span> microscopy ((S)TEM) have significantly increased in the past decade due to the introduction of aberration correction. In parallel with the consequent increase of convergence angle the depth of focus has decreased severely and optical sectioning in the STEM became feasible. Here we apply STEM defocus series to derive the <span class="hlt">local</span> sample thickness of a TEM sample. To this end experimental as well as simulated defocus series of thin Si foils were acquired. The systematic blurring of high resolution high angle annular dark field images is quantified by evaluating the standard deviation of the image intensity for each image of a defocus series. The derived dependencies exhibit a pronounced maximum at the optimum defocus and drop to a background value for higher or lower values. The full width half maximum (FWHM) of the curve is equal to the sample thickness above a minimum thickness given by the size of the used aperture and the chromatic aberration of the microscope. The thicknesses obtained from experimental defocus series applying the proposed method are in good agreement with the values derived from other established methods. The key advantages of this method compared to others are its high spatial resolution and that it does not involve any time consuming simulations. © 2015 The Authors Journal of Microscopy © 2015 Royal Microscopical Society.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/28190538','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/28190538"><span>Acute intoxication caused by synthetic cannabinoids <span class="hlt">5</span><span class="hlt">F</span>-ADB and MMB-2201: A case series.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Barceló, Bernardino; Pichini, Simona; López-Corominas, Victoria; Gomila, Isabel; Yates, Christopher; Busardò, Francesco Paolo; Pellegrini, Manuela</p> <p>2017-04-01</p> <p>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 <span class="hlt">5</span><span class="hlt">F</span>-ADB and MMB-2201 with analytical confirmation. Copyright © 2017 Elsevier B.V. All rights reserved.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/16328969','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/16328969"><span>Hyperglycemia induces apoptosis and p53 mobilization to mitochondria in RINm<span class="hlt">5</span><span class="hlt">F</span> cells.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>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</p> <p>2006-01-01</p> <p>The mechanisms related to hyperglycemia-induced pancreatic beta-cell apoptosis are poorly defined. Rat insulin-producing cells (RINm<span class="hlt">5</span><span class="hlt">F</span>) 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.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/28846913','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/28846913"><span>Differentiation and identification of <span class="hlt">5</span><span class="hlt">F</span>-PB-22 and its isomers.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Tang, Angeline S Y; Loh, Samuel W X; Koh, Hui Boon; Tan, Sylvia; Yap, Angeline T W; Zhang, Shu-Hua</p> <p>2017-10-01</p> <p>Quinolin-8-yl 1-(5-fluoropentyl)-1H-indole-3-carboxylate (5-Fluoro-PB-22 or <span class="hlt">5</span><span class="hlt">F</span>-PB-22; QUPIC N-(5-fluoropentyl) analog), is a synthetic cannabinoid which mimics the effects of cannabis. Several countries have reported numerous detections of this compound and its abuse has led to adverse effects including death. The aim of this study was to separate and identify the fluoropentyl positional isomers of fluoro-PB-22 using gas chromatography-mass spectrometry, solid deposition gas chromatography-infrared detection spectroscopy and (1)H and (13)C nuclear magnetic resonance spectroscopy. Data acquired from these multiple techniques can assist forensic laboratories lacking the reference drug standard(s) to identify the specific isomer of fluoro-PB-22 in seized material. Copyright © 2017 Elsevier B.V. All rights reserved.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.osti.gov/scitech/biblio/1007693','SCIGOV-STC'); return false;" href="https://www.osti.gov/scitech/biblio/1007693"><span>Structure of the parainfluenza virus <span class="hlt">5</span> <span class="hlt">F</span> protein in its metastable, prefusion conformation</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Yin, Hsien-Sheng; Wen, Xiaolin; Paterson, Reay G.; Lamb, Robert A.; Jardetzky, Theodore S.</p> <p>2010-03-08</p> <p>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 <span class="hlt">5</span> <span class="hlt">F</span> 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.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.osti.gov/scitech/biblio/1064913','SCIGOV-STC'); return false;" href="https://www.osti.gov/scitech/biblio/1064913"><span>Self-Assembly of Hexanuclear Clusters of 4f and <span class="hlt">5</span><span class="hlt">f</span> Elements with Cation Specificity</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Diwu, J.; Good, Justin J.; DiStefano, Victoria H.; Albrecht-Schmitt, Thomas E.</p> <p>2011-02-10</p> <p>Six hexanuclear clusters of 4f and <span class="hlt">5</span><span class="hlt">f</span> 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.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017RaPC..135..133F','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017RaPC..135..133F"><span>Mask-assisted <span class="hlt">electron</span> radiation grafting for <span class="hlt">localized</span> through-volume modification of porous substrates: influence of <span class="hlt">electron</span> energy on spatial resolution</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Forner-Cuenca, A.; Manzi-Orezzoli, V.; Kristiansen, P. M.; Gubler, L.; Schmidt, T. J.; Boillat, P.</p> <p>2017-06-01</p> <p>The spatial resolution aspects of the <span class="hlt">local</span> modification of porous materials by <span class="hlt">electron</span> induced graft-polymerization were studied by a combination of experiments and numerical simulations. Using blocking masks, only selected regions of the material were exposed to radiation and subsequently grafted. The main focus of this study is the application to gas diffusion layers, a carbonaceous 200 μm thick porous substrate widely used in fuel cells, with the goal of improving water management by <span class="hlt">locally</span> tuning the wettability. The comparison of experiments performed with different <span class="hlt">electron</span> energies and corresponding simulations shows good agreement, identifying the energy threshold necessary to graft through the material to be approximately 150 keV. The impact of <span class="hlt">electron</span> energy on spatial resolution was studied, showing that the blurring effects due to <span class="hlt">electron</span> scattering reach a maximum at around 200 keV and are reduced at higher <span class="hlt">electron</span> energies. Finally, the numerical simulations were used to define the conditions necessary to selectively graft only parts of bi-layer fuel cell materials.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.osti.gov/scitech/biblio/22490137','SCIGOV-STC'); return false;" href="https://www.osti.gov/scitech/biblio/22490137"><span>Propagation of <span class="hlt">localized</span> structures in relativistic magnetized <span class="hlt">electron</span>-positron plasmas using particle-in-cell simulations</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>López, Rodrigo A.; Muñoz, Víctor; Viñas, Adolfo F.; Valdivia, Juan A.</p> <p>2015-09-15</p> <p>We use a particle-in-cell simulation to study the propagation of <span class="hlt">localized</span> structures in a magnetized <span class="hlt">electron</span>-positron plasma with relativistic finite temperature. We use as initial condition for the simulation an envelope soliton solution of the nonlinear Schrödinger equation, derived from the relativistic two fluid equations in the strongly magnetized limit. This envelope soliton turns out not to be a stable solution for the simulation and splits in two <span class="hlt">localized</span> structures propagating in opposite directions. However, these two <span class="hlt">localized</span> structures exhibit a soliton-like behavior, as they keep their profile after they collide with each other due to the periodic boundary conditions. We also observe the formation of <span class="hlt">localized</span> structures in the evolution of a spatially uniform circularly polarized Alfvén wave. In both cases, the <span class="hlt">localized</span> structures propagate with an amplitude independent velocity.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://ntrs.nasa.gov/search.jsp?R=20060039955&hterms=Planar&qs=Ntx%3Dmode%2Bmatchall%26Ntk%3DAll%26N%3D0%26No%3D60%26Ntt%3DPlanar','NASA-TRS'); return false;" href="https://ntrs.nasa.gov/search.jsp?R=20060039955&hterms=Planar&qs=Ntx%3Dmode%2Bmatchall%26Ntk%3DAll%26N%3D0%26No%3D60%26Ntt%3DPlanar"><span>A 1.5 THz hot-<span class="hlt">electron</span> bolometer mixer operated by a planar diode based <span class="hlt">local</span> oscillator</span></a></p> <p><a target="_blank" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Tong, C. Y. E.; Meledin, D.; Blundell, R.; Erickson, N.; Mehdi, I.; Goltsman, G.</p> <p>2003-01-01</p> <p>We have developed a 1.5 THz superconducting NbN Hot-<span class="hlt">Electron</span> Bolometer mixer. It is oprated by an all-solid-state <span class="hlt">Local</span> Oscillator comprising of a cascade of 4 planar doublers following an MMIC based W-band power amplifier.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016ApPhL.108d2109S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016ApPhL.108d2109S"><span>Dimensional crossover of <span class="hlt">electron</span> weak <span class="hlt">localization</span> in ZnO/TiOx stacked layers grown by atomic layer deposition</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Saha, D.; Misra, P.; Bhartiya, S.; Gupta, M.; Joshi, M. P.; Kukreja, L. M.</p> <p>2016-01-01</p> <p>We report on the dimensional crossover of <span class="hlt">electron</span> weak <span class="hlt">localization</span> in ZnO/TiOx stacked layers having well-defined and spatially-<span class="hlt">localized</span> Ti dopant profiles along film thickness. These films were grown by in situ incorporation of sub-monolayer TiOx on the growing ZnO film surface and subsequent overgrowth of thin conducting ZnO spacer layer using atomic layer deposition. Film thickness was varied in the range of ˜6-65 nm by vertically stacking different numbers (n = 1-7) of ZnO/TiOx layers of nearly identical dopant-profiles. The evolution of zero-field sheet resistance (R⊙) versus temperature with decreasing film thickness showed a metal to insulator transition. On the metallic side of the metal-insulator transition, R⊙(T) and magnetoresistance data were found to be well corroborated with the theoretical framework of <span class="hlt">electron</span> weak <span class="hlt">localization</span> in the diffusive transport regime. The temperature dependence of both R⊙ and inelastic scattering length provided strong evidence for a smooth crossover from 2D to 3D weak <span class="hlt">localization</span> behaviour. Results of this study provide deeper insight into the <span class="hlt">electron</span> transport in low-dimensional n-type ZnO/TiOx stacked layers which have potential applications in the field of transparent oxide <span class="hlt">electronics</span>.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016PhRvB..93v4411A','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016PhRvB..93v4411A"><span>Strong impact of lattice vibrations on <span class="hlt">electronic</span> and magnetic properties of paramagnetic Fe revealed by disordered <span class="hlt">local</span> moments molecular dynamics</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Alling, B.; Körmann, F.; Grabowski, B.; Glensk, A.; Abrikosov, I. A.; Neugebauer, J.</p> <p>2016-06-01</p> <p>We study the impact of lattice vibrations on magnetic and <span class="hlt">electronic</span> properties of paramagnetic bcc and fcc iron at finite temperature, employing the disordered <span class="hlt">local</span> moments molecular dynamics (DLM-MD) method. Vibrations strongly affect the distribution of <span class="hlt">local</span> magnetic moments at finite temperature, which in turn correlates with the <span class="hlt">local</span> atomic volumes. Without the explicit consideration of atomic vibrations, the mean <span class="hlt">local</span> magnetic moment and mean field derived magnetic entropy of paramagnetic bcc Fe are larger compared to paramagnetic fcc Fe, which would indicate that the magnetic contribution stabilizes the bcc phase at high temperatures. In the present study we show that this assumption is not valid when the coupling between vibrations and magnetism is taken into account. At the γ -δ transition temperature (1662 K), the lattice distortions cause very similar magnetic moments of both bcc and fcc structures and hence magnetic entropy contributions. This finding can be traced back to the <span class="hlt">electronic</span> densities of states, which also become increasingly similar between bcc and fcc Fe with increasing temperature. Given the sensitive interplay of the different physical excitation mechanisms, our results illustrate the need for an explicit consideration of vibrational disorder and its impact on <span class="hlt">electronic</span> and magnetic properties to understand paramagnetic Fe. Furthermore, they suggest that at the γ -δ transition temperature <span class="hlt">electronic</span> and magnetic contributions to the Gibbs free energy are extremely similar in bcc and fcc Fe.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016PhRvB..94w5118I','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016PhRvB..94w5118I"><span>Quantum Monte Carlo study of the itinerant-<span class="hlt">localized</span> model of strongly correlated <span class="hlt">electrons</span>: Spin-spin correlation functions</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Ivantsov, Ilya; Ferraz, Alvaro; Kochetov, Evgenii</p> <p>2016-12-01</p> <p>We perform quantum Monte Carlo simulations of the itinerant-<span class="hlt">localized</span> periodic Kondo-Heisenberg model for the underdoped cuprates to calculate the associated spin correlation functions. The strong <span class="hlt">electron</span> correlations are shown to play a key role in the abrupt destruction of the quasi-long-range antiferromagnetic order in the lightly doped regime.</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_19");'>19</a></li> <li><a href="#" onclick='return showDiv("page_20");'>20</a></li> <li class="active"><span>21</span></li> <li><a href="#" onclick='return showDiv("page_22");'>22</a></li> <li><a href="#" onclick='return showDiv("page_23");'>23</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_21 --> <div id="page_22" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_20");'>20</a></li> <li><a href="#" onclick='return showDiv("page_21");'>21</a></li> <li class="active"><span>22</span></li> <li><a href="#" onclick='return showDiv("page_23");'>23</a></li> <li><a href="#" onclick='return showDiv("page_24");'>24</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="421"> <li> <p><a target="_blank" onclick="trackOutboundLink('https://ntrs.nasa.gov/search.jsp?R=20060039955&hterms=SOLID+STATE+MICROWAVE+OSCILLATORS&qs=Ntx%3Dmode%2Bmatchall%26Ntk%3DAll%26N%3D0%26No%3D10%26Ntt%3DSOLID%2BSTATE%2BMICROWAVE%2BOSCILLATORS','NASA-TRS'); return false;" href="https://ntrs.nasa.gov/search.jsp?R=20060039955&hterms=SOLID+STATE+MICROWAVE+OSCILLATORS&qs=Ntx%3Dmode%2Bmatchall%26Ntk%3DAll%26N%3D0%26No%3D10%26Ntt%3DSOLID%2BSTATE%2BMICROWAVE%2BOSCILLATORS"><span>A 1.5 THz hot-<span class="hlt">electron</span> bolometer mixer operated by a planar diode based <span class="hlt">local</span> oscillator</span></a></p> <p><a target="_blank" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Tong, C. Y. E.; Meledin, D.; Blundell, R.; Erickson, N.; Mehdi, I.; Goltsman, G.</p> <p>2003-01-01</p> <p>We have developed a 1.5 THz superconducting NbN Hot-<span class="hlt">Electron</span> Bolometer mixer. It is oprated by an all-solid-state <span class="hlt">Local</span> Oscillator comprising of a cascade of 4 planar doublers following an MMIC based W-band power amplifier.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/21242619','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/21242619"><span><span class="hlt">Electron</span>-beam-induced deposition and post-treatment processes to <span class="hlt">locally</span> generate clean titanium oxide nanostructures on Si(100).</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Schirmer, M; Walz, M-M; Vollnhals, F; Lukasczyk, T; Sandmann, A; Chen, C; Steinrück, H-P; Marbach, H</p> <p>2011-02-25</p> <p>We have investigated the lithographic generation of TiO(x) nanostructures on Si(100) via <span class="hlt">electron</span>-beam-induced deposition (EBID) of titanium tetraisopropoxide (TTIP) in ultra-high vacuum (UHV) by scanning <span class="hlt">electron</span> microscopy (SEM) and <span class="hlt">local</span> Auger <span class="hlt">electron</span> spectroscopy (AES). In addition, the fabricated nanostructures were also characterized ex situ via atomic force microscopy (AFM) under ambient conditions. In EBID, a highly focused <span class="hlt">electron</span> beam is used to <span class="hlt">locally</span> decompose precursor molecules and thereby to generate a deposit. A drawback of this nanofabrication technique is the unintended deposition of material in the vicinity of the impact position of the primary <span class="hlt">electron</span> beam due to so-called proximity effects. Herein, we present a post-treatment procedure to deplete the unintended deposits by moderate sputtering after the deposition process. Moreover, we were able to observe the formation of pure titanium oxide nanocrystals (<100 nm) in situ upon heating the sample in a well-defined oxygen atmosphere. While the nanocrystal growth for the as-deposited structures also occurs in the surroundings of the irradiated area due to proximity effects, it is limited to the pre-defined regions, if the sample was sputtered before heating the sample under oxygen atmosphere. The described two-step post-treatment procedure after EBID presents a new pathway for the fabrication of clean <span class="hlt">localized</span> nanostructures.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2011Nanot..22h5301S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2011Nanot..22h5301S"><span><span class="hlt">Electron</span>-beam-induced deposition and post-treatment processes to <span class="hlt">locally</span> generate clean titanium oxide nanostructures on Si(100)</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Schirmer, M.; Walz, M.-M.; Vollnhals, F.; Lukasczyk, T.; Sandmann, A.; Chen, C.; Steinrück, H.-P.; Marbach, H.</p> <p>2011-02-01</p> <p>We have investigated the lithographic generation of TiOx nanostructures on Si(100) via <span class="hlt">electron</span>-beam-induced deposition (EBID) of titanium tetraisopropoxide (TTIP) in ultra-high vacuum (UHV) by scanning <span class="hlt">electron</span> microscopy (SEM) and <span class="hlt">local</span> Auger <span class="hlt">electron</span> spectroscopy (AES). In addition, the fabricated nanostructures were also characterized ex situ via atomic force microscopy (AFM) under ambient conditions. In EBID, a highly focused <span class="hlt">electron</span> beam is used to <span class="hlt">locally</span> decompose precursor molecules and thereby to generate a deposit. A drawback of this nanofabrication technique is the unintended deposition of material in the vicinity of the impact position of the primary <span class="hlt">electron</span> beam due to so-called proximity effects. Herein, we present a post-treatment procedure to deplete the unintended deposits by moderate sputtering after the deposition process. Moreover, we were able to observe the formation of pure titanium oxide nanocrystals (<100 nm) in situ upon heating the sample in a well-defined oxygen atmosphere. While the nanocrystal growth for the as-deposited structures also occurs in the surroundings of the irradiated area due to proximity effects, it is limited to the pre-defined regions, if the sample was sputtered before heating the sample under oxygen atmosphere. The described two-step post-treatment procedure after EBID presents a new pathway for the fabrication of clean <span class="hlt">localized</span> nanostructures.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017JPhB...50c5602J','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017JPhB...50c5602J"><span><span class="hlt">Electron</span> <span class="hlt">localization</span> of {{{\\rm{H}}}_{3}}^{+} and {{\\rm{HeH}}}^{2+} in an ultrashort ultraviolet laser field</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Jia, Z. M.; Tang, W. T.; Zeng, Z. N.; Li, R. X.; Xu, Z. Z.</p> <p>2017-02-01</p> <p><span class="hlt">Electron</span> <span class="hlt">localization</span> in the dissociation of the molecular ions {{{{H}}}3}+ and HeH2+ in an intense ultrashort ultraviolet laser pulse is studied with the Schrödinger equation. Two different dissociation channels, {{{{H}}}3}+ + nγ → H2 + p and {{{{H}}}3}+ + nγ → {{{{H}}}2}++ H, and HeH2+ + nγ → He+ + p and HeH2+ + nγ → α + H, for {{{{H}}}3}+ and HeH2+, are investigated, respectively. The numerical and analytical results both show that, for a molecular ion with an asymmetric double-well Coulomb potential, most <span class="hlt">electrons</span> of the 1s{σ }g state are <span class="hlt">localized</span> at the potential well with lower energies. For <span class="hlt">electrons</span> of the 2p{σ }u state, most are <span class="hlt">localized</span> at the potential well with higher energies when in a single ultraviolet laser pulse. Therefore, for {{{{H}}}3}+, most <span class="hlt">electrons</span> of the dissociation state are stabilized at the potential well with higher energies (H+), for the lowest dissociation state is the 2p{σ }u state. Most of the <span class="hlt">electrons</span> of the dissociation state of HeH2+ are captured by the potential well with lower energies (He2+), because the lowest dissociation state is the 1s{σ }g state and the 2p{σ }u state is bounded.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.osti.gov/scitech/biblio/922556','SCIGOV-STC'); return false;" href="https://www.osti.gov/scitech/biblio/922556"><span>The <span class="hlt">Local</span> <span class="hlt">Electronic</span> Structure of Dicarba-closo-dodecaboranes C2B10H12</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Fister, Timothy T.; Vila, Fernando D.; Seidler, Gerald T.; Svec, Lukas; Linehan, John C.; Cross, Julie O.</p> <p>2008-01-16</p> <p>We report nonresonant inelastic x-ray scattering (NRIXS) measurement of core-shell excitations from both B 1s and C 1s initial states in all three isomers of the dicarba-closo-dodecaboranes C2B10H12. First, this data yields an experimental determination of the angular-momentum-projected final <span class="hlt">local</span> density of states (l-DOS). We find low-energy resonances with distinctive <span class="hlt">local</span> s- or p-type character, providing a more complete experimental characterization of bond hybridization than is available from dipole-transition limited techniques, such as x-ray absorption spectroscopies. This analysis is supported by independent density functional theory and real-space full multiple scattering calculation of the l-DOS which yield a clear distinction between tangential and radial contributions. Second, we investigate the isomer-sensitivity of the NRIXS signal, and compare and contrast these results with prior <span class="hlt">electron</span> energy loss spectroscopy measurements. This work establishes NRIXS as a valuable tool for borane chemistry, not only for the unique spectroscopic capabilities of the technique, but also through its compatibility with future studies in solution or in high pressure environments. In addition, this work also establishes the real-space full multiple scattering approach as a useful alternative to traditional approaches for the excited states calculations for aromatic polyhedral boranes and related systems. This research was supported by DOE, Basic Energy Science, Office of Science, Contract Nos. DE-FGE03-97ER45628 and W-31-109-ENG-38, ONR Grant No. N00014-05-1-0843, Grant DE-FG03-97ER5623, NIH NCRR BTP Grant RR-01209, the Leonard X. Bosack and Bette M. Kruger Foundation, the Hydrogen Fuel Cell Initiative of DOE Office of Basic Energy Sciences, and the Summer Research Institute Program at the Pacific Northwest National Lab. Battelle operates the Pacific Northwest National Lab for DOE. The operation of Sector 20 PNC-CAT/XOR is supported by DOE Basic Energy Science</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/28821542','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/28821542"><span>Human Hepatocyte Metabolism of Novel Synthetic Cannabinoids MN-18 and Its 5-Fluoro Analog <span class="hlt">5</span><span class="hlt">F</span>-MN-18.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Diao, Xingxing; Carlier, Jeremy; Zhu, Mingshe; Huestis, Marilyn A</p> <p>2017-08-18</p> <p>In 2014, 2 novel synthetic cannabinoids, MN-18 and its 5-fluoro analog, <span class="hlt">5</span><span class="hlt">F</span>-MN-18, were first identified in an ongoing survey of novel psychoactive substances in Japan. In vitro pharmacological assays revealed that MN-18 and <span class="hlt">5</span><span class="hlt">F</span>-MN-18 displayed high binding affinities to human CB1 and CB2 receptors, with Ki being 1.65-3.86 nmol/L. MN-18 and <span class="hlt">5</span><span class="hlt">F</span>-MN-18 were scheduled in Japan and some other countries in 2014. Despite increasing prevalence, no human metabolism data are currently available, making it challenging for forensic laboratories to confirm intake of MN-18 or <span class="hlt">5</span><span class="hlt">F</span>-MN-18. We incubated 10 μ mol/L of MN-18 and <span class="hlt">5</span><span class="hlt">F</span>-MN-18 in human hepatocytes for 3 h and analyzed the samples on a TripleTOF 5600(+) high-resolution mass spectrometer to identify appropriate marker metabolites. Data were acquired via full scan and information-dependent acquisition-triggered product ion scans with mass defect filter. In total, 13 MN-18 metabolites were detected, with the top 3 abundant metabolites being 1-pentyl-1H-indazole-3-carboxylic acid, pentyl-carbonylated MN-18, and naphthalene-hydroxylated MN-18. For <span class="hlt">5</span><span class="hlt">F</span>-MN-18, 20 metabolites were observed, with the top 3 abundant metabolites being 5`-OH-MN-18, MN-18 pentanoic acid, and 1-(5-fluoropentyl)-1H-indazole-3-carboxylic acid. We have characterized MN-18 and <span class="hlt">5</span><span class="hlt">F</span>-MN-18 metabolism with human hepatocytes and high-resolution mass spectrometry, and we recommend characteristic major metabolites for clinical and forensic laboratories to identify MN-18 and <span class="hlt">5</span><span class="hlt">F</span>-MN-18 intake and link observed adverse events to these novel synthetic cannabinoids. © 2017 American Association for Clinical Chemistry.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.osti.gov/scitech/biblio/20662261','SCIGOV-STC'); return false;" href="https://www.osti.gov/scitech/biblio/20662261"><span><span class="hlt">Local</span> atomic and <span class="hlt">electronic</span> structure in LaMnO{sub 3} across the orbital ordering transition</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Souza, Raquel A.; Souza-Neto, Narcizo M.; Ramos, Aline Y.; Tolentino, Helio C.N.; Granado, Eduardo</p> <p>2004-12-01</p> <p>The <span class="hlt">local</span> atomic disorder and <span class="hlt">electronic</span> structure in the environment of manganese atoms in LaMnO{sub 3} has been studied by x-ray absorption spectroscopy over a temperature range (300-870 K) covering the orbital ordering transition ({approx}710 K). The Mn-O distance splitting into short and long bonds (1.95 and 2.15 A) is kept across the transition temperature, so that the MnO{sub 6} octahedra remain <span class="hlt">locally</span> Jahn-Teller distorted. Discontinuities in the Mn <span class="hlt">local</span> structure are identified in the extended x-ray fine structure spectra at this temperature, associated with a reduction of the disorder in the superexchange angle and to the removal of the anisotropy in the radial disorder within the coordination shell. Subtle changes in the <span class="hlt">electronic</span> <span class="hlt">local</span> structure also take place at the Mn site at the transition temperature. The near-edge spectra show a small drop of the Mn 4p hole count and a small enhancement in the pre-edge structures at the transition temperature. These features are associated with an increase of the covalence of the Mn-O bonds. Our results shed light on the <span class="hlt">local</span> <span class="hlt">electronic</span> and structural phenomena in a model of order-disorder transition, where the cooperative distortion is overcome by the thermal disorder.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2013MolPh.111.3779I','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2013MolPh.111.3779I"><span>Molecular dipole static polarisabilities and hyperpolarisabilities of conjugated oligomer chains calculated with the <span class="hlt">local</span> π-<span class="hlt">electron</span> coupled cluster theory</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Ivanov, Vladimir V.; Zakharov, Anton B.; Adamowicz, Ludwik</p> <p>2013-12-01</p> <p>A new semi-empirical π-<span class="hlt">electron</span> <span class="hlt">local</span> coupled cluster theory has been developed to calculate static dipole polarisabilities and hyperpolarisabilities of extended π-conjugated systems. The key idea of the approach is the use of the ethylene molecular orbitals as the orbital basis set for π-conjugated compounds (the method is termed the Covalent Unbonded Molecules of Ethylene method, cue). Test calculations of some small model organic conjugated compounds demonstrate high accuracy of the version of the cue <span class="hlt">local</span> coupled cluster theory developed in this work in comparison with the π-<span class="hlt">electron</span> full configuration interaction (FCI) method. Calculations of different conjugated carbon-based oligomer chains (polyenes, polyynes, polyacenes, polybenzocyclobutadiene, etc.) demonstrate fast convergence (per π-<span class="hlt">electron</span>) of the polarisability and hyperpolarisability values in the calculations when more classes of orbital excitations are included in the coupled cluster single and double (CCSD) excitation operator. The results show qualitatively correct dependence on the system size.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2003APS..DPPLP1097K','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2003APS..DPPLP1097K"><span>Development of Improved Analysis of 1-D Non-<span class="hlt">Local</span> <span class="hlt">Electron</span> Parallel Heat Transport in Divertor Plasmas</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Kim, Chang-Geun; Alouani Bibi, Fathallah; Matte, Jean-Pierre; Rognlien, Thomas D.; Stotler, Daren P.</p> <p>2003-10-01</p> <p>Improved analysis of 1-D non-<span class="hlt">local</span> <span class="hlt">electron</span> parallel heat transport in divertor plasmas is investigated. In the divertor of NSTX, as well as in other magnetic confinement devices, there are steep temperature gradients parallel to the direction of the magnetic field, especially near the neutralizer plates. Strong temperature gradients modify the <span class="hlt">electrons</span>' thermal transport. A recently developed delocalization formula [1] is implemented in the "UEDGE" fluid edge plasma simulation code. UEDGE simulations are performed using this non-<span class="hlt">local</span> <span class="hlt">electron</span> heat flow formula (without any external heating source), and are compared to runs made with the more traditional flux limited heat diffusion formula. . [1] F. Alouani Bibi and J.P. Matte, Phys. Rev. E 66, 066414 (2002)</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2009APS..GECSR3003M','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2009APS..GECSR3003M"><span>SiO2 Film Etching Process Using Environment-Friendly New Gas C<span class="hlt">5</span><span class="hlt">F</span>7H</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Miyawaki, Yudai; Takeda, Keigo; Ito, Azumi; Nakamura, Masahiro; Sekine, Makoto; Hori, Masaru</p> <p>2009-10-01</p> <p>With the continuous miniaturization of semiconductor memory devices, a much precise etching process for a high aspect ratio contact hole in SiO2 film is indispensable. Furthermore, deterioration of the SiO2 selectivity over a fragile, thin ArF photoresist would cause the sidewall roughness and poor pattern-width definition. In this study, we utilized a newly designed C<span class="hlt">5</span><span class="hlt">F</span>7H gas. We compared the etch performances between the new gas and conventional C<span class="hlt">5</span><span class="hlt">F</span>8 . Ar and O2 were introduced with the each fluorocarbon gas to controll the etching rate. A dual frequency (60 MHz / 2 MHz) capacitively coupled plasma was employed. The SiO2 etching rate and selectivity to ArF photoresist were investigated as a function of O2 flow rate. The maximum selectivity of only 3.7 and the SiO2 etching rate of 416 nm/min were obtained at O2 flow rate of 20 sccm for the C<span class="hlt">5</span><span class="hlt">F</span>8/O2/Ar plasma. For the newly developed C<span class="hlt">5</span><span class="hlt">F</span>7H/O2/Ar plasma, the maximum selectivity of 13.5 with the etching rate of 356 nm/min was achieved at 25-sccm O2 flow rate. From these results, it was confirmed that almost four times higher selectivity than that of the conventional C<span class="hlt">5</span><span class="hlt">F</span>8 gas was obtained by using the new C<span class="hlt">5</span><span class="hlt">F</span>7H gas.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.osti.gov/scitech/biblio/22080406','SCIGOV-STC'); return false;" href="https://www.osti.gov/scitech/biblio/22080406"><span>Characterization of the <span class="hlt">local</span> crystallinity via reflectance of very slow <span class="hlt">electrons</span></span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Pokorna, Z.; Mikmekova, S.; Muellerova, I.; Frank, L.</p> <p>2012-06-25</p> <p>The reflectance of very slow <span class="hlt">electrons</span> from solids and its <span class="hlt">electron</span> energy dependence are shown as characteristic for the crystal system and its spatial orientation so they can serve, e.g., to fingerprinting the orientation of grains in polycrystals. Measurements on single crystals and polycrystals are validated via <span class="hlt">electron</span> backscatter diffraction analyses. Sensitivity of the method to fine details of crystallinity is demonstrated.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017JPSJ...86g4801Y','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017JPSJ...86g4801Y"><span><span class="hlt">Local</span> 3d <span class="hlt">Electronic</span> Structures of Co-Based Complexes with Medicinal Molecules Probed by Soft X-ray Absorption</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Yamagami, Kohei; Fujiwara, Hidenori; Imada, Shin; Kadono, Toshiharu; Yamanaka, Keisuke; Muro, Takayuki; Tanaka, Arata; Itai, Takuma; Yoshinari, Nobuto; Konno, Takumi; Sekiyama, Akira</p> <p>2017-07-01</p> <p>We have examined the <span class="hlt">local</span> 3d <span class="hlt">electronic</span> structures of Co-Au multinuclear complexes with the medicinal molecules d-penicillaminate (d-pen) [Co{Au(PPh3)(d-pen)}2]ClO4 and [Co3{Au3(tdme)(d-pen)3}2] by Co L2,3-edge soft X-ray absorption (XAS) spectroscopy, where PPh3 denotes triphenylphosphine and tdme stands for 1,1,1-tris[(diphenylphosphino)methyl]ethane. The Co L2,3-edge XAS spectra indicate the <span class="hlt">localized</span> ionic 3d <span class="hlt">electronic</span> states in both materials. The experimental spectra are well explained by spectral simulation for a <span class="hlt">localized</span> Co ion under ligand fields with the full multiplet theory, which verifies that the ions are in the low-spin Co3+ state in the former compound and in the high-spin Co2+ state in the latter.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5044898','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5044898"><span>Long-term results of intraoperative <span class="hlt">electron</span> beam radiation therapy for nonmetastatic <span class="hlt">locally</span> advanced pancreatic cancer</span></a></p> <p><a target="_blank" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Chen, Yingtai; Che, Xu; Zhang, Jianwei; Huang, Huang; Zhao, Dongbing; Tian, Yantao; Li, Yexiong; Feng, Qinfu; Zhang, Zhihui; Jiang, Qinglong; Zhang, Shuisheng; Tang, Xiaolong; Huang, Xianghui; Chu, Yunmian; Zhang, Jianghu; Sun, Yuemin; Zhang, Yawei; Wang, Chengfeng</p> <p>2016-01-01</p> <p>Abstract To assess prognostic benefits of intraoperative <span class="hlt">electron</span> beam radiation therapy (IOERT) in patients with nonmetastatic <span class="hlt">locally</span> advanced pancreatic cancer (LAPC) and evaluate optimal adjuvant treatment after IOERT. A retrospective cohort study using prospectively collected data was conducted at the Cancer Hospital of the Chinese Academy of Medical Sciences, China National Cancer Center. Two hundred forty-seven consecutive patients with nonmetastatic LAPC who underwent IOERT between January 2008 and May 2015 were identified and included in the study. Overall survival (OS) was calculated from the day of IOERT. Prognostic factors were examined using Cox proportional hazards models. The 1-, 2-, and 3-year actuarial survival rates were 40%, 14%, and 7.2%, respectively, with a median OS of 9.0 months. On multivariate analysis, an IOERT applicator diameter < 6 cm (hazards ratio [HR], 0.67; 95% confidence interval [CI], 0.47–0.97), no intraoperative interstitial sustained-release 5-fluorouracil chemotherapy (HR, 0.46; 95% CI, 0.32–0.66), and receipt of postoperative chemoradiotherapy followed by chemotherapy (HR, 0.11; 95% CI, 0.04–0.25) were significantly associated with improved OS. Pain relief after IOERT was achieved in 111 of the 117 patients, with complete remission in 74 and partial remission in 37. Postoperative complications rate and mortality were 14.0% and 0.4%, respectively. Nonmetastatic LAPC patients with smaller size tumors could achieve positive long-term survival outcomes with a treatment strategy incorporating IOERT and postoperative adjuvant treatment. Chemoradiotherapy followed by chemotherapy might be a recommended adjuvant treatment strategy for well-selected cases. Intraoperative interstitial sustained-release 5-fluorouracil chemotherapy should not be recommended for patients with nonmetastatic LAPC. PMID:27661028</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5300922','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5300922"><span>Safe and Simplified Salvage Technique for Exposed Implantable Cardiac <span class="hlt">Electronic</span> Devices under <span class="hlt">Local</span> Anesthesia</span></a></p> <p><a target="_blank" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Jung, Chang Young; Kim, Sung-Eun</p> <p>2017-01-01</p> <p>Background Skin erosion is a dire complication of implantable cardiac pacemakers and defibrillators. Classical treatments involve removal of the entire generator and lead systems, however, these may result in fatal complications. In this study, we present our experience with a simplified salvage technique for exposed implantable cardiac <span class="hlt">electronic</span> devices (ICEDs) without removing the implanted device, in an attempt to reduce the risks and complication rates associated with this condition. Methods The records of 10 patients who experienced direct ICED exposure between January 2012 and December 2015 were retrospectively reviewed. The following surgical procedure was performed in all patients: removal of skin erosion and capsule, creation of a new pocket at least 1.0–1.5 cm inferior to its original position, migration of the ICED to the new pocket, and insertion of closed-suction drainage. Patients with gross <span class="hlt">local</span> sepsis or septicemia were excluded from this study. Results Seven patients had cardiac pacemakers and the other 3 had implantable cardiac defibrillators. The time from primary ICED placement to exposure ranged from 0.3 to 151 months (mean, 29 months. Postoperative follow-up in this series ranged from 8 to 31 months (mean follow-up, 22 months). Among the 10 patients, none presented with any signs of overt infection or cutaneous lesions, except 1 patient with hematoma on postoperative day 5. The hematoma was successfully treated by surgical removal and repositioning of the closed-suction drainage. Conclusions Based on our experience, salvage of exposed ICEDs is possible without removing the device in selected patients. PMID:28194346</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2014EGUGA..1615059E','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2014EGUGA..1615059E"><span>Station Based Polynomial Modeling of the <span class="hlt">local</span> ionospheric Vertical Total <span class="hlt">Electron</span> Content (VTEC) using Particle Filter</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Erdogan, Eren; Onur Karslioglu, Mahmut; Durmaz, Murat; Aghakarimi, Armin</p> <p>2014-05-01</p> <p> parameters, Ionospheric VTEC map covering the predefined region has been produced by interpolation. VTEC values at a grid node of the map have been computed based on the four closest ground stations by means of inverse distance squared weighted average. The GPS data which is acquired from ground based stations have been made available from the International GNSS Service (IGS) and the Reference Frame Sub-commission for Europe (EUREF). Raw GPS observations have been preprocessed to detect cycle slips and to form geometry-free linear combinations of observables for each continuous arc. Then the obtained pseudoranges have been smoothed with the carrier to code leveling method. Finally, the performance of the particle filter to investigate the <span class="hlt">local</span> characteristics of the ionospheric Vertical Total <span class="hlt">Electron</span> Content (VTEC) has been evaluated and the result has been compared with the result of a standard Kalman filter. Keywords: ionosphere, GPS , Particle filer, VTEC modeling</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.osti.gov/scitech/biblio/15010442','SCIGOV-STC'); return false;" href="https://www.osti.gov/scitech/biblio/15010442"><span>A Theoretical Study of NO2 Complexes with Aluminium and Gallium Based on Topological Analysis of <span class="hlt">Electron</span> Density and <span class="hlt">Electron</span> <span class="hlt">Localization</span> Function</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Panek, Jaroslaw; Latajaka, Zdzislaw</p> <p>2000-12-26</p> <p>Results of DFT and MP4 calculations on AlNO2 and GaNO2 molecules are presented. One Cs and two C2v structures (two minima and one TS) are found and their energies and vibrational frequencies are reported and discussed. The minima are close in energy and lie ca. 70 kcal mol-1 below reactants (M+NO2). More insight is obtained via topological analysis of <span class="hlt">electron</span> density and <span class="hlt">electron</span> <span class="hlt">localization</span> function (ELF). It is shown that the molecules are bound mainly via electrostatic interactions, and there is a significant charge transfer from metal atom to the NO2 moiety. Detailed analysis of the ELF shows that the loss of stability of gallium complexes with respect to aluminium structures is best explained by (antibonding) influence of gallium semi-cored <span class="hlt">electrons</span>.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4662255','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4662255"><span>Aryl Hydrocarbon Receptor Ligand <span class="hlt">5</span><span class="hlt">F</span> 203 Induces Oxidative Stress That Triggers DNA Damage in Human Breast Cancer Cells</span></a></p> <p><a target="_blank" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>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</p> <p>2015-01-01</p> <p>Breast tumors often show profound sensitivity to exogenous oxidative stress. Investigational agent 2-(4-amino-3-methylphenyl)-5-fluorobenzothiazole (<span class="hlt">5</span><span class="hlt">F</span> 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 <span class="hlt">5</span><span class="hlt">F</span> 203 increases reactive oxygen species (ROS) to induce DNA damage, which thwarts breast cancer cell growth. We found that <span class="hlt">5</span><span class="hlt">F</span> 203 induced single-strand break formation. <span class="hlt">5</span><span class="hlt">F</span> 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, <span class="hlt">5</span><span class="hlt">F</span> 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 <span class="hlt">5</span><span class="hlt">F</span> 203-mediated JNK and p38 activation, depending on the cell type. Pharmacological inhibition of AhR, JNK, or p38 attenuated <span class="hlt">5</span><span class="hlt">F</span> 203-mediated increases in intracellular ROS, apoptosis, and single-strand break formation. <span class="hlt">5</span><span class="hlt">F</span> 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, <span class="hlt">5</span><span class="hlt">F</span> 203-mediated increases in ROS production and cytoglobin were suppressed in AHR100 cells (AhR ligand-unresponsive MCF-7 breast cancer cells). Our data demonstrate <span class="hlt">5</span><span class="hlt">F</span> 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</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2012JPSJ...81a4703F','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2012JPSJ...81a4703F"><span><span class="hlt">Electronic</span> Structure of Heavy Fermion Uranium Compounds Studied by Core-Level Photoelectron Spectroscopy</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Fujimori, Shin-ichi; Ohkochi, Takuo; Kawasaki, Ikuto; Yasui, Akira; Takeda, Yukiharu; Okane, Tetsuo; Saitoh, Yuji; Fujimori, Atsushi; Yamagami, Hiroshi; Haga, Yoshinori; Yamamoto, Etsuji; Tokiwa, Yoshifumi; Ikeda, Shugo; Sugai, Takashi; Ohkuni, Hitoshi; Kimura, Noriaki; Ōnuki, Yoshichika</p> <p>2012-01-01</p> <p>High-energy-resolution core-level and valence-band photoelectron spectroscopic studies were performed for the heavy fermion uranium compounds UGe2, UCoGe, URhGe, URu2Si2, UNi2Al3, UPd2Al3, and UPt3 as well as typical <span class="hlt">localized</span> and itinerant uranium compounds to understand the relationship between the uranium valence state and their core-level spectral line shapes. In addition to the main line and high-binding energy satellite structure recognized in the core-level spectra of uranium compounds, a shoulder structure on the lower binding energy side of the main lines of <span class="hlt">localized</span> and nearly <span class="hlt">localized</span> uranium compounds was also found. The spectral line shapes show a systematic variation depending on the U <span class="hlt">5</span><span class="hlt">f</span> <span class="hlt">electronic</span> structure. The core-level spectra of UGe2, UCoGe, URhGe, URu2Si2, and UNi2Al3 are rather similar to those of itinerant compounds, suggesting that U <span class="hlt">5</span><span class="hlt">f</span> <span class="hlt">electrons</span> in these compounds are well hybridized with ligand states. On the other hand, the core-level spectra of UPd2Al3 and UPt3 show considerably different spectral line shapes from those of the itinerant compounds, suggesting that U <span class="hlt">5</span><span class="hlt">f</span> <span class="hlt">electrons</span> in UPd2Al3 and UPt3 are less hybridized with ligand states, leading to the correlated nature of U <span class="hlt">5</span><span class="hlt">f</span> <span class="hlt">electrons</span> in these compounds. The dominant final state characters in their core-level spectra suggest that the numbers of <span class="hlt">5</span><span class="hlt">f</span> <span class="hlt">electrons</span> in UGe2, UCoGe, URhGe, URu2Si2, UNi2Al3, and UPd2Al3 are close to but less than three, while that of UPt3 is close to two rather than to three.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://www.osti.gov/scitech/servlets/purl/1238237','SCIGOV-STC'); return false;" href="http://www.osti.gov/scitech/servlets/purl/1238237"><span>Nonlinear simulations of peeling-ballooning modes with anomalous <span class="hlt">electron</span> viscosity and their role in edge <span class="hlt">localized</span> mode crashes</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Xu, X. Q.; Dudson, B.; Snyder, P. B.; Umansky, M. V.; Wilson, H.</p> <p>2010-10-22</p> <p>A minimum set of equations based on the peeling-ballooning (P-B) model with nonideal physics effects (diamagnetic drift, E×B drift, resistivity, and anomalous <span class="hlt">electron</span> viscosity) is found to simulate pedestal collapse when using the new BOUT++ simulation code, developed in part from the original fluid edge code BOUT. Nonlinear simulations of P-B modes demonstrate that the P-B modes trigger magnetic reconnection, which leads to the pedestal collapse. With the addition of a model of the anomalous <span class="hlt">electron</span> viscosity under the assumption that the <span class="hlt">electron</span> viscosity is comparable to the anomalous <span class="hlt">electron</span> thermal diffusivity, it is found from simulations using a realistic high-Lundquist number that the pedestal collapse is limited to the edge region and the edge <span class="hlt">localized</span> mode (ELM) size is about 5–10% of the pedestal stored energy. Furthermore, this is consistent with many observations of large ELMs.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.osti.gov/scitech/biblio/21467041','SCIGOV-STC'); return false;" href="https://www.osti.gov/scitech/biblio/21467041"><span>Nonlinear Simulations of Peeling-Ballooning Modes with Anomalous <span class="hlt">Electron</span> Viscosity and their Role in Edge <span class="hlt">Localized</span> Mode Crashes</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Xu, X. Q.; Umansky, M. V.; Dudson, B.; Wilson, H.; Snyder, P. B.</p> <p>2010-10-22</p> <p>A minimum set of equations based on the peeling-ballooning (P-B) model with nonideal physics effects (diamagnetic drift, ExB drift, resistivity, and anomalous <span class="hlt">electron</span> viscosity) is found to simulate pedestal collapse when using the new BOUT++ simulation code, developed in part from the original fluid edge code BOUT. Nonlinear simulations of P-B modes demonstrate that the P-B modes trigger magnetic reconnection, which leads to the pedestal collapse. With the addition of a model of the anomalous <span class="hlt">electron</span> viscosity under the assumption that the <span class="hlt">electron</span> viscosity is comparable to the anomalous <span class="hlt">electron</span> thermal diffusivity, it is found from simulations using a realistic high-Lundquist number that the pedestal collapse is limited to the edge region and the edge <span class="hlt">localized</span> mode (ELM) size is about 5%-10% of the pedestal stored energy. This is consistent with many observations of large ELMs.</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_20");'>20</a></li> <li><a href="#" onclick='return showDiv("page_21");'>21</a></li> <li class="active"><span>22</span></li> <li><a href="#" onclick='return showDiv("page_23");'>23</a></li> <li><a href="#" onclick='return showDiv("page_24");'>24</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_22 --> <div id="page_23" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_21");'>21</a></li> <li><a href="#" onclick='return showDiv("page_22");'>22</a></li> <li class="active"><span>23</span></li> <li><a href="#" onclick='return showDiv("page_24");'>24</a></li> <li><a href="#" onclick='return showDiv("page_25");'>25</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="441"> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.osti.gov/pages/biblio/1238237-nonlinear-simulations-peeling-ballooning-modes-anomalous-electron-viscosity-role-edge-localized-mode-crashes','SCIGOV-DOEP'); return false;" href="https://www.osti.gov/pages/biblio/1238237-nonlinear-simulations-peeling-ballooning-modes-anomalous-electron-viscosity-role-edge-localized-mode-crashes"><span>Nonlinear simulations of peeling-ballooning modes with anomalous <span class="hlt">electron</span> viscosity and their role in edge <span class="hlt">localized</span> mode crashes</span></a></p> <p><a target="_blank" href="http://www.osti.gov/pages">DOE PAGES</a></p> <p>Xu, X. Q.; Dudson, B.; Snyder, P. B.; ...</p> <p>2010-10-22</p> <p>A minimum set of equations based on the peeling-ballooning (P-B) model with nonideal physics effects (diamagnetic drift, E×B drift, resistivity, and anomalous <span class="hlt">electron</span> viscosity) is found to simulate pedestal collapse when using the new BOUT++ simulation code, developed in part from the original fluid edge code BOUT. Nonlinear simulations of P-B modes demonstrate that the P-B modes trigger magnetic reconnection, which leads to the pedestal collapse. With the addition of a model of the anomalous <span class="hlt">electron</span> viscosity under the assumption that the <span class="hlt">electron</span> viscosity is comparable to the anomalous <span class="hlt">electron</span> thermal diffusivity, it is found from simulations using a realisticmore » high-Lundquist number that the pedestal collapse is limited to the edge region and the edge <span class="hlt">localized</span> mode (ELM) size is about 5–10% of the pedestal stored energy. Furthermore, this is consistent with many observations of large ELMs.« less</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2012CoPhC.183..698P','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2012CoPhC.183..698P"><span><span class="hlt">Local</span> <span class="hlt">electron</span> tomography using angular variations of surface tangents: Stomo version 2</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Petersen, T. C.; Ringer, S. P.</p> <p>2012-03-01</p> <p>. Program summaryProgram title: STOMO version 2 Catalogue identifier: AEFS_v2_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEFS_v2_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 2854 No. of bytes in distributed program, including test data, etc.: 23 559 Distribution format: tar.gz Programming language: C/C++ Computer: PC Operating system: Windows XP RAM: Scales as the product of experimental image dimensions multiplied by the number of points chosen by the user in polynomial fitting. Typical runs require between 50 Mb and 100 Mb of RAM. Supplementary material: Sample output files, for the test run provided, are available. Classification: 7.4, 14 Catalogue identifier of previous version: AEFS_v1_0 Journal reference of previous version: Comput. Phys. Comm. 181 (2010) 676 Does the new version supersede the previous version?: Yes Nature of problem: A <span class="hlt">local</span> <span class="hlt">electron</span> tomography algorithm of specimens for which conventional back projection may fail and or data for which there is a limited angular range (which would otherwise cause significant 'missing-wedge' artefacts). The algorithm does not solve the tomography back projection problem but rather <span class="hlt">locally</span> reconstructs the 3D morphology of surfaces defined by varied scattering densities. Solution method: <span class="hlt">Local</span> reconstruction is effected using image-analysis edge and ridge detection computations on experimental tilt series to measure smooth angular variations of surface tangent-line intersections, which generate point clouds decorating the embedded and or external scattering surfaces of a specimen. Reasons for new version: The new version was coded to cater for rectangular images in experimental tilt-series, ensure smoother image rotations, provide ridge detection (suitable for sensing phase-contrast Fresnel fringes and other</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2012CP....405..189S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2012CP....405..189S"><span>A practical approach to temperature effects in dissociative <span class="hlt">electron</span> attachment cross sections using <span class="hlt">local</span> complex potential theory</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Sugioka, Yuji; Takayanagi, Toshiyuki</p> <p>2012-09-01</p> <p>We propose a practical computational scheme to obtain temperature dependence of dissociative <span class="hlt">electron</span> attachment cross sections to polyatomic molecules within a <span class="hlt">local</span> complex potential theory formalism. First we perform quantum path-integral molecular dynamics simulations on the potential energy surface for the neutral molecule in order to sample initial nuclear configurations as well as momenta. Classical trajectories are subsequently integrated on the potential energy surface for the anionic state and survival probabilities are simultaneously calculated along the obtained trajectories. We have applied this simple scheme to dissociative <span class="hlt">electron</span> attachment processes to H2O and CF3Cl, for which several previous studies are available from both the experimental and theoretical sides.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=2650478','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=2650478"><span><span class="hlt">Electron</span> Microscopy <span class="hlt">Localization</span> and Characterization of Functionalized Composite Organic-Inorganic SERS Nanoparticles on Leukemia Cells</span></a></p> <p><a target="_blank" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Koh, Ai Leen; Shachaf, Catherine M.; Elchuri, Sailaja; Nolan, Garry P.; Sinclair, Robert</p> <p>2008-01-01</p> <p>We demonstrate the use of <span class="hlt">electron</span> microscopy as a powerful characterization tool to identify and locate antibody-conjugated composite organic-inorganic (COINs) surface enhanced Raman scattering (SERS) nanoparticles on cells. U937 leukemia cells labeled with antibody CD54-conjugated COINs were characterized in their native, hydrated state using wet Scanning <span class="hlt">Electron</span> Microscopy (SEM) and in their dehydrated state using high-resolution SEM. In both cases, the backscattered <span class="hlt">electron</span> detector (BSE) was used to detect and identify the silver constituents in COINs due to its high sensitivity to atomic number variations within a specimen. The imaging and analytical capabilities in the SEM were further complemented by higher resolution Transmission <span class="hlt">Electron</span> Microscope (TEM) images and Scanning Auger <span class="hlt">Electron</span> Spectroscopy (AES) data to give reliable and high-resolution information about nanoparticles and their binding to cell surface antigens. PMID:18995965</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4789598','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4789598"><span>Influence of cell physiological state on gene delivery to T lymphocytes by chimeric adenovirus Ad<span class="hlt">5</span><span class="hlt">F</span>35</span></a></p> <p><a target="_blank" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Zhang, Wen-feng; Shao, Hong-wei; Wu, Feng-lin; Xie, Xin; Li, Zhu-Ming; Bo, Hua-Ben; Shen, Han; Wang, Teng; Huang, Shu-lin</p> <p>2016-01-01</p> <p>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 Ad<span class="hlt">5</span><span class="hlt">F</span>35 is potentially useful as an immunotherapeutic for the genetic modification of T cells. In previous studies, it was found that the infection efficiency of Ad<span class="hlt">5</span><span class="hlt">F</span>35 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 Ad<span class="hlt">5</span><span class="hlt">F</span>35 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 Ad<span class="hlt">5</span><span class="hlt">F</span>35 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 Ad<span class="hlt">5</span><span class="hlt">F</span>35 infection of T cells and consequently, will help further the clinical application of genetically-modified T cells for immunotherapy. PMID:26972139</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2014JAP...116i3703S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2014JAP...116i3703S"><span><span class="hlt">Local</span> versus global <span class="hlt">electronic</span> properties of chalcopyrite alloys: X-ray absorption spectroscopy and ab initio calculations</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Sarmiento-Pérez, Rafael; Botti, Silvana; Schnohr, Claudia S.; Lauermann, Iver; Rubio, Angel; Johnson, Benjamin</p> <p>2014-09-01</p> <p>Element-specific unoccupied <span class="hlt">electronic</span> states of Cu(In, Ga)S2 were studied as a function of the In/Ga ratio by combining X-ray absorption spectroscopy with density functional theory calculations. The S absorption edge shifts with changing In/Ga ratio as expected from the variation of the band gap. In contrast, the cation edge positions are largely independent of composition despite the changing band gap. This unexpected behavior is well reproduced by our calculations and originates from the dependence of the <span class="hlt">electronic</span> states on the <span class="hlt">local</span> atomic environment. The changing band gap arises from a changing spatial average of these <span class="hlt">localized</span> states with changing alloy composition.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.osti.gov/scitech/biblio/22314387','SCIGOV-STC'); return false;" href="https://www.osti.gov/scitech/biblio/22314387"><span><span class="hlt">Local</span> versus global <span class="hlt">electronic</span> properties of chalcopyrite alloys: X-ray absorption spectroscopy and ab initio calculations</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Sarmiento-Pérez, Rafael; Botti, Silvana; Schnohr, Claudia S.; Lauermann, Iver; Rubio, Angel; Johnson, Benjamin</p> <p>2014-09-07</p> <p>Element-specific unoccupied <span class="hlt">electronic</span> states of Cu(In, Ga)S{sub 2} were studied as a function of the In/Ga ratio by combining X-ray absorption spectroscopy with density functional theory calculations. The S absorption edge shifts with changing In/Ga ratio as expected from the variation of the band gap. In contrast, the cation edge positions are largely independent of composition despite the changing band gap. This unexpected behavior is well reproduced by our calculations and originates from the dependence of the <span class="hlt">electronic</span> states on the <span class="hlt">local</span> atomic environment. The changing band gap arises from a changing spatial average of these <span class="hlt">localized</span> states with changing alloy composition.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/21849717','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/21849717"><span>Crossover from itinerant-<span class="hlt">electron</span> to <span class="hlt">localized-electron</span> behavior in Sr(1-x)Ca(x)CrO3 perovskite solid solution.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Long, Youwen; Yang, Liuxiang; Lv, Yuxi; Liu, Qingqing; Jin, Changqing; Zhou, Jianshi; Goodenough, John B</p> <p>2011-09-07</p> <p>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, <span class="hlt">localized-electron</span> 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-<span class="hlt">electron</span> to <span class="hlt">localized-electron</span> 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.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/25662937','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/25662937"><span>Origin-independent sum over states simulations of magnetic and <span class="hlt">electronic</span> circular dichroism spectra via the <span class="hlt">localized</span> orbital/<span class="hlt">local</span> origin method.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Štěpánek, Petr; Bouř, Petr</p> <p>2015-04-15</p> <p>Although <span class="hlt">electronic</span> and magnetic circular dichroism (ECD, MCD) spectra reveal valuable details about molecular geometry and <span class="hlt">electronic</span> structure, quantum-chemical simulations significantly facilitate their interpretation. However, the simulated results may depend on the choice of coordinate origin. Previously (Štěpánek and Bouř, J. Comput. Chem. 2013, 34, 1531), the sum-over-states (SOS) methodology was found useful for efficient MCD computations. Approximate wave functions were "resolved" using time-dependent density functional theory, and the origin-dependence was avoided by placing the origin to the center of mass of the investigated molecule. In this study, a more elegant way is proposed, based on the <span class="hlt">localized</span> orbital/<span class="hlt">local</span> origin (LORG) formalism, and a similar approach is also applied to generate ECD intensities. The LORG-like approach yields fully origin-independent ECD and MCD spectra. The results thus indicate that the computationally relatively cheap SOS simulations open a new way of modeling molecular properties, including those involving the origin-dependent magnetic dipole moment operator. © 2015 Wiley Periodicals, Inc.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.osti.gov/scitech/biblio/1194306','SCIGOV-STC'); return false;" href="https://www.osti.gov/scitech/biblio/1194306"><span><span class="hlt">Localized</span> <span class="hlt">electron</span> transfer rates and microelectrode-based enrichment of microbial communities within a phototrophic microbial mat</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Babauta, Jerome T.; Atci, Erhan; Ha, Phuc T.; Lindemann, Stephen R.; Ewing, Timothy; Call, Douglas R.; Fredrickson, James K.; Beyenal, Haluk</p> <p>2014-01-01</p> <p>Phototrophic microbial mats frequently exhibit sharp, light-dependent redox gradients that regulate microbial respiration on specific <span class="hlt">electron</span> acceptors as a function of depth. In this work, a benthic phototrophic microbial mat from Hot Lake, a hypersaline, epsomitic lake located near Oroville in north-central Washington, was used to develop a microscale electrochemical method to study <span class="hlt">local</span> <span class="hlt">electron</span> transfer processes within the mat. To characterize the physicochemical variables influencing <span class="hlt">electron</span> transfer, we initially quantified redox potential, pH, and dissolved oxygen gradients by depth in the mat under photic and aphotic conditions. We further demonstrated that power output of a mat fuel cell was light-dependent. To study <span class="hlt">local</span> <span class="hlt">electron</span> transfer processes, we deployed a microscale electrode (microelectrode) with tip size ~20 μm. To enrich a subset of microorganisms capable of interacting with the microelectrode, we anodically polarized the microelectrode at depth in the mat. Subsequently, to characterize the microelectrode- associated community and compare it to the neighboring mat community, we performed amplicon sequencing of the V1-V3 region of the 16S gene. Differences in Bray-Curtis beta diversity, illustrated by large changes in relative abundance at the phylum level, suggested successful enrichment of specific mat community members on the microelectrode surface. The microelectrode-associated community exhibited substantially reduced alpha diversity and elevated relative abundances of <i>Prosthecochloris, Loktanella, Catellibacterium,</i> other unclassified members of <i>Rhodobacteraceae, Thiomicrospira, and Limnobacter,</i> compared with the community at an equivalent depth in the mat. Our results suggest that <span class="hlt">local</span> <span class="hlt">electron</span> transfer to an anodically polarized microelectrode selected for a specific microbial population, with substantially more abundance and diversity of sulfur-oxidizing phylotypes compared with the neighboring mat community.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://www.osti.gov/scitech/servlets/purl/1221760','SCIGOV-STC'); return false;" href="http://www.osti.gov/scitech/servlets/purl/1221760"><span>TiO<sub>2</sub> nanotube arrays for photocatalysis: Effects of crystallinity, <span class="hlt">local</span> order, and <span class="hlt">electronic</span> structure</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Liu, Jing; Hosseinpour, Pegah M.; Luo, Si; Heiman, Don; Menon, Latika; Arena, Dario A.; Lewis, Laura H.</p> <p>2014-11-19</p> <p>To furnish insight into correlations of <span class="hlt">electronic</span> and <span class="hlt">local</span> structure and photoactivity, arrays of short and long TiO₂ nanotubes were synthesized by electrochemical anodization of Ti foil, followed by thermal treatment in O₂ (oxidizing), Ar (inert), and H₂ (reducing) environments. The physical and <span class="hlt">electronic</span> structures of these nanotubes were probed with x-ray diffraction, scanning <span class="hlt">electron</span> microscopy, and synchrotron-based x-ray absorption spectroscopy, and correlated with their photocatalytic properties. The photocatalytic activity of the nanotubes was evaluated by monitoring the degradation of methyl orange under UV-VIS light irradiation. Results show that upon annealing at 350 °C all as-anodized amorphous TiO₂ nanotube samples partially transform to the anatase structure, with variations in the degree of crystallinity and in the concentration of <span class="hlt">local</span> defects near the nanotubes' surface (~5 nm) depending on the annealing conditions. Degradation of methyl orange was not detectable for the as-anodized TiO₂ nanotubes regardless of their length. The annealed long nanotubes demonstrated detectable catalytic activity, which was more significant with the H₂-annealed nanotubes than with the Ar- and O₂-annealed nanotube samples. This enhanced photocatalytic response of the H₂-annealed long nanotubes relative to the other samples is positively correlated with the presence of a larger concentration of lattice defects (such as Ti<sup>3+</sup> and anticipated oxygen vacancies) and a slightly lower degree of crystallinity near the nanotube surface. These physical and <span class="hlt">electronic</span> structural attributes impact the efficacy of visible light absorption; moreover, the increased concentration of surface defects is postulated to promote the generation of hydroxyl radicals and thus accelerate the photodegradation of the methyl orange. The information obtained from this study provides unique insight into the role of the near-surface <span class="hlt">electronic</span> and defect structure</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=3902354','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=3902354"><span><span class="hlt">Localized</span> <span class="hlt">electron</span> transfer rates and microelectrode-based enrichment of microbial communities within a phototrophic microbial mat</span></a></p> <p><a target="_blank" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Babauta, Jerome T.; Atci, Erhan; Ha, Phuc T.; Lindemann, Stephen R.; Ewing, Timothy; Call, Douglas R.; Fredrickson, James K.; Beyenal, Haluk</p> <p>2014-01-01</p> <p>Phototrophic microbial mats frequently exhibit sharp, light-dependent redox gradients that regulate microbial respiration on specific <span class="hlt">electron</span> acceptors as a function of depth. In this work, a benthic phototrophic microbial mat from Hot Lake, a hypersaline, epsomitic lake located near Oroville in north-central Washington, was used to develop a microscale electrochemical method to study <span class="hlt">local</span> <span class="hlt">electron</span> transfer processes within the mat. To characterize the physicochemical variables influencing <span class="hlt">electron</span> transfer, we initially quantified redox potential, pH, and dissolved oxygen gradients by depth in the mat under photic and aphotic conditions. We further demonstrated that power output of a mat fuel cell was light-dependent. To study <span class="hlt">local</span> <span class="hlt">electron</span> transfer processes, we deployed a microscale electrode (microelectrode) with tip size ~20 μm. To enrich a subset of microorganisms capable of interacting with the microelectrode, we anodically polarized the microelectrode at depth in the mat. Subsequently, to characterize the microelectrode-associated community and compare it to the neighboring mat community, we performed amplicon sequencing of the V1–V3 region of the 16S gene. Differences in Bray-Curtis beta diversity, illustrated by large changes in relative abundance at the phylum level, suggested successful enrichment of specific mat community members on the microelectrode surface. The microelectrode-associated community exhibited substantially reduced alpha diversity and elevated relative abundances of Prosthecochloris, Loktanella, Catellibacterium, other unclassified members of Rhodobacteraceae, Thiomicrospira, and Limnobacter, compared with the community at an equivalent depth in the mat. Our results suggest that <span class="hlt">local</span> <span class="hlt">electron</span> transfer to an anodically polarized microelectrode selected for a specific microbial population, with substantially more abundance and diversity of sulfur-oxidizing phylotypes compared with the neighboring mat community. PMID:24478768</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016cosp...41E.209B','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016cosp...41E.209B"><span>The effect of <span class="hlt">electron</span> measurements both inside and outside the heliosphere on the modelling of <span class="hlt">local</span> interstellar spectra</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Bisschoff, Driaan; Potgieter, Marius</p> <p>2016-07-01</p> <p>A <span class="hlt">local</span> interstellar spectrum (LIS) for <span class="hlt">electrons</span> can be calculated with Galactic propagation models to benefit both Galactic and heliospheric propagation studies by considering the improved measurements for cosmic rays (CRs) made over the last few years, such as by Voyager 1 and PAMELA. Cosmic ray measurements made by Voyager 1 outside the dominant influence of solar modulation uniquely allows the direct comparison of modelled Galactic spectra to experimental data. Recent improved analysis of the PAMELA <span class="hlt">electron</span> spectra gives measurements for the exceptional solar minimum of 2009 which clearly depict ideal minimum modulation conditions for CRs in the heliosphere. Utilizing the GALPROP code, a LIS for <span class="hlt">electrons</span> is computed to directly reproduce the <span class="hlt">electron</span> spectra observed by Voyager 1. Using this LIS as input to a comprehensive solar modulation model enables the comparison with the PAMELA <span class="hlt">electron</span> spectra. To accomplish reproducing the <span class="hlt">electron</span> measurements of both CR experiments, we established a LIS with by varying the source spectrum and diffusion parameters in the GALPROP code. Inclusion of reacceleration in Galactic space improves the LIS to also match the lower energy PAMELA values after been modulated through a full 3D solar modulation model.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/17174106','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/17174106"><span>Low-energy-loss <span class="hlt">electron</span> microscopy of doxorubicin in human breast cancer MCF-7 cells: <span class="hlt">localization</span> by color.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Mhawi, A Amir; Fernandes, Allan B; Ottensmeyer, F Peter</p> <p>2007-04-01</p> <p>The distribution of the anti-cancer drug doxorubicin (DOX) in human breast cancer MCF-7 cells was imaged directly by low-energy-loss <span class="hlt">electron</span> microscopy (EM) without specific antibodies or heavy metal stains, using only the <span class="hlt">electron</span>-induced molecular orbital excitation of the drug. Cells treated with DOX were examined live by confocal fluorescence microscopy and as very thin sections in an <span class="hlt">electron</span> microscope equipped with an <span class="hlt">electron</span> energy filter having an energy resolution of 1 eV. The distribution of DOX obtained by EM from pairs of images at energy losses of 3+/-1 eV and 10+/-1 eV agreed with fluorescence microscope observations, but provided much more detail, easily distinguishing <span class="hlt">localization</span> between nuclear membrane and perimembrane compartments and between vacuolated nucleoli and perinucleolar chromatin. Treatment times up to 1h and DOX concentrations up to 30 microM indicated a progression of DOX ingress from higher concentrations in the nuclear membrane to labeling of the nucleolus. Subsequently DOX moved into perinucleolar chromatin and concentrated in perimembrane chromatin aggregations. Quantification of the DOX signal indicated a decay half-life of 320 e/A2 under <span class="hlt">electron</span> irradiation, whereas each image at 3000 x required 10 e/A2. The results point to a new field of high resolution microanalysis: color <span class="hlt">electron</span> microscopy.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/28289735','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/28289735"><span>Dielectric relaxation and <span class="hlt">localized</span> <span class="hlt">electron</span> hopping in colossal dielectric (Nb,In)-doped TiO2 rutile nanoceramics.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Tsuji, Kosuke; Han, HyukSu; Guillemet-Fritsch, Sophie; Randall, Clive A</p> <p>2017-03-28</p> <p>Dielectric spectroscopy was performed on a Nb and In co-doped rutile TiO2 nano-crystalline ceramic (n-NITO) synthesized by a low-temperature spark plasma sintering (SPS) technique. The dielectric properties of the n-NITO were not largely affected by the metal electrode contacts. Huge dielectric relaxation was observed at a very low temperature below 35 K. Both the activation energy and relaxation time suggested that the <span class="hlt">electronic</span> hopping motion is the underlying mechanism responsible for the colossal dielectric permittivity (CP) and its relaxation, instead of the internal barrier layer effect or a dipolar relaxation. With Havriliak-Negami (H-N) fitting, a relaxation time with a large distribution of dielectric relaxations was revealed. The broad distributed relaxation phenomena indicated that Nb and In were involved, controlling the dielectric relaxation by modifying the polarization mechanism and <span class="hlt">localized</span> states. The associated distribution function is calculated and presented. The frequency-dependent a.c. conductance is successfully explained by a hopping conduction model of the <span class="hlt">localized</span> <span class="hlt">electrons</span> with the distribution function. It is demonstrated that the dielectric relaxation is strongly correlated with the hopping <span class="hlt">electrons</span> in the <span class="hlt">localized</span> states. The CP in SPS n-NITO is then ascribed to a hopping polarization.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2012APS..MAR.J5008S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2012APS..MAR.J5008S"><span><span class="hlt">Localized</span> <span class="hlt">electron</span> states and phase separation at the LaAlO3/SrTiO3 interface</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Satpathy, S.; Shanavas, K. V.</p> <p>2012-02-01</p> <p>Even though the 2D <span class="hlt">electron</span> gas at the polar interfaces of LAO/STO has been studied extensively, an explanation for the observed magnetic centers or the coexistence of magnetism and superconductivity is still lacking. Earlier density-functional calculations have indicated the presence of multi-bands and two types of <span class="hlt">electrons</span> at the interface [1]. Here we propose that a combination of lattice disorder, octahedral rotations, and Jahn-Teller distortion can lead to some of these <span class="hlt">electrons</span> to be <span class="hlt">localized</span> near the interface and form lattice polarons. Evidence for this is presented from detailed density-functional calculations, which indicate that the energy gain associated with JT distortion and impurity or disorder induced <span class="hlt">local</span> potentials can offset the kinetic energy cost of <span class="hlt">localization</span>. Our model studies [2] also show the possible existence of a phase separation, thereby providing a natural explanation for the coexistence of magnetism and superconductivity [3].[4pt] [1] Z. S. Popovi'c, S. Satpathy and R. M. Martin Phys. Rev. Lett., 101, 256801 (2008)[0pt] [2] B. R. K. Nanda and S. Satpathy Phys. Rev B, 83, 195114 (2011)[0pt] [3] L. Li et. al. Nature Physics, 7, 762 (2011); J. A. Bert et. al. ibid, 767 (2011);</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017PhRvB..95d5203K','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017PhRvB..95d5203K"><span>Magnetic, optical, and <span class="hlt">electron</span> transport properties of n -type CeO2: Small polarons versus Anderson <span class="hlt">localization</span></span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Kolodiazhnyi, Taras; Charoonsuk, Thitirat; Seo, Yu-Seong; Chang, Suyong; Vittayakorn, Naratip; Hwang, Jungseek</p> <p>2017-01-01</p> <p>We report magnetic susceptibility, electrical conductivity and optical absorption of Ce1 -xMxO2 where M = Nb,Ta and 0 ≤x ≤0.03 . The dc conductivity follows a simple thermally activated Arrhenius-type behavior in the T =70 -700 K range with a change in slope at T*≈155 K. The high-temperature activation energy shows gradual increase from ≈170 to 220 meV as the dopant concentration increases. The activation energy of the low-temperature conductivity shows a broad minimum of ≈77 meV at x ≈0.01 . <span class="hlt">Electron</span> transport and <span class="hlt">localization</span> mechanisms are analyzed in the framework of the Holstein small polaron, Anderson <span class="hlt">localization</span>, and Jahn-Teller distortion models. The fit to the small polaron mobility is dramatically improved when, instead of the longitudinal phonons, the transverse optical phonons are considered in the phonon-assisted <span class="hlt">electron</span> transport. This serves as an indirect evidence of a strong 4 f1 orbital interaction with the oxygen ligands, similar to the case of PrO2. Based on comparison of the experimental data to the models, it is proposed that the defect-induced random electric fields make the dominant contribution to the <span class="hlt">electron</span> <span class="hlt">localization</span> in donor-doped ceria.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2010CryRp..55..830S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2010CryRp..55..830S"><span>Influence of structural ordering on ion transport in BiO0.<span class="hlt">5</span><span class="hlt">F</span>2.0 bismuth oxyfluoride</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Sorokin, N. I.; Sobolev, B. P.</p> <p>2010-09-01</p> <p>The influence of structural defect ordering on ionic conductivity (σ) in the cubic (fluorite) modification of BiO0.<span class="hlt">5</span><span class="hlt">F</span>2.0 oxyfluoride has been investigated. Upon cooling, the disordered fluorite BiO0.<span class="hlt">5</span><span class="hlt">F</span>2.0 phase undergoes a reversible transition to an ordered form. This transition manifests itself as a jump in the temperature dependence σ( T) near 583 ± 6 K. The ordering of structural defects deteriorates the characteristics of ion transport in BiO0.<span class="hlt">5</span><span class="hlt">F</span>2.0. At 500 K, the σ value for the ordered phase is 1 × 10-4 S/cm, whereas an extrapolation to this temperature for the disordered phase gives σ = 4 × 10-4 S/cm.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://hdl.handle.net/2060/20040182329','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/20040182329"><span>Development of a Method for <span class="hlt">Local</span> <span class="hlt">Electron</span> Temperature and Density Measurements in the Divertor of the JET Tokamak</span></a></p> <p><a target="_blank" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Jupen, C.; Meigs, A.; Bhatia, A. K.; Brezinsek, S.; OMullane, M.</p> <p>2004-01-01</p> <p>Plasma volume recombination in the divertor, a process in which charged particles recombine to neutral atoms, contributes to plasma detachment and hence cooling at the divertor target region. Detachment has been observed at JET and other tokamaks and is known to occur at low <span class="hlt">electron</span> temperatures (T(sub e)<1 eV) and at high <span class="hlt">electron</span> density (n(sub e)>10(exp 20)/m(exp 3)). The ability to measure such low temperatures is therefore of interest for modelling the divertor. In present work we report development of a new spectroscopic technique for investigation of <span class="hlt">local</span> <span class="hlt">electron</span> density (n(sub e)) and temperature (T,) in the outer divertor at JET.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/18233362','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/18233362"><span>Highly charged ions from laser-cluster interactions: <span class="hlt">local</span>-field-enhanced impact ionization and frustrated <span class="hlt">electron</span>-ion recombination.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Fennel, Thomas; Ramunno, Lora; Brabec, Thomas</p> <p>2007-12-07</p> <p>Our molecular dynamics analysis of Xe_{147-5083} clusters identifies two mechanisms that contribute to the yet unexplained observation of extremely highly charged ions in intense laser cluster experiments. First, <span class="hlt">electron</span> impact ionization is enhanced by the <span class="hlt">local</span> cluster electric field, increasing the highest charge states by up to 40%; a corresponding theoretical method is developed. Second, <span class="hlt">electron</span>-ion recombination after the laser pulse is frustrated by acceleration electric fields typically used in ion detectors. This increases the highest charge states by up to 90%, as compared to the usual assumption of total recombination of all cluster-bound <span class="hlt">electrons</span>. Both effects together augment the highest charge states by up to 120%, in reasonable agreement with experiments.</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_21");'>21</a></li> <li><a href="#" onclick='return showDiv("page_22");'>22</a></li> <li class="active"><span>23</span></li> <li><a href="#" onclick='return showDiv("page_24");'>24</a></li> <li><a href="#" onclick='return showDiv("page_25");'>25</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_23 --> <div id="page_24" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_21");'>21</a></li> <li><a href="#" onclick='return showDiv("page_22");'>22</a></li> <li><a href="#" onclick='return showDiv("page_23");'>23</a></li> <li class="active"><span>24</span></li> <li><a href="#" onclick='return showDiv("page_25");'>25</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="461"> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.osti.gov/scitech/biblio/21024536','SCIGOV-STC'); return false;" href="https://www.osti.gov/scitech/biblio/21024536"><span>Highly Charged Ions from Laser-Cluster Interactions: <span class="hlt">Local</span>-Field-Enhanced Impact Ionization and Frustrated <span class="hlt">Electron</span>-Ion Recombination</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Fennel, Thomas; Ramunno, Lora; Brabec, Thomas</p> <p>2007-12-07</p> <p>Our molecular dynamics analysis of Xe{sub 147-5083} clusters identifies two mechanisms that contribute to the yet unexplained observation of extremely highly charged ions in intense laser cluster experiments. First, <span class="hlt">electron</span> impact ionization is enhanced by the <span class="hlt">local</span> cluster electric field, increasing the highest charge states by up to 40%; a corresponding theoretical method is developed. Second, <span class="hlt">electron</span>-ion recombination after the laser pulse is frustrated by acceleration electric fields typically used in ion detectors. This increases the highest charge states by up to 90%, as compared to the usual assumption of total recombination of all cluster-bound <span class="hlt">electrons</span>. Both effects together augment the highest charge states by up to 120%, in reasonable agreement with experiments.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/15132634','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/15132634"><span>An <span class="hlt">electron</span> <span class="hlt">localization</span> function study of the geometry of d(0) molecules of the period 4 metals Ca to Mn.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Gillespie, Ronald J; Noury, Stéphane; Pilmé, Julien; Silvi, Bernard</p> <p>2004-05-17</p> <p>We have studied the geometry of the formally d(0) MX(n)() (X = F, H, CH(3) and O; n = 2-6) molecules of the period 4 metals from Ca to Mn by studying the topology of the <span class="hlt">electron</span> <span class="hlt">localization</span> function (ELF) in order to try to understand why many of these molecules have non-VSEPR geometries. The quantitative analysis of the core basin population shows that it is always larger than its conventional value (18) because, in the LCAO-MO scheme, the 3d basis functions centered on the metal noticeably contribute to the <span class="hlt">electron</span> density within the core region associated with the M shell. Therefore, the density available to form the bonds is less than Z(M) - 18, the value adopted in <span class="hlt">electron</span> counts. Under the influence of the ligands, these <span class="hlt">electrons</span> cause the core to lose its spherical symmetry by the formation of opposite-spin pair <span class="hlt">localization</span> basins, which in turn influence the geometry of the ligands if the interaction of the ligands with the core is sufficiently strong. All of the ligands considered in this study, except F, interact with the core sufficiently strongly to give non-VSEPR geometries, which we have rationalized on the basis of the ELF topology.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/27534565','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/27534565"><span>Cytochrome b 6 f function and <span class="hlt">localization</span>, phosphorylation state of thylakoid membrane proteins and consequences on cyclic <span class="hlt">electron</span> flow.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Dumas, Louis; Chazaux, Marie; Peltier, Gilles; Johnson, Xenie; Alric, Jean</p> <p>2016-09-01</p> <p>Both the structure and the protein composition of thylakoid membranes have an impact on light harvesting and <span class="hlt">electron</span> transfer in the photosynthetic chain. Thylakoid membranes form stacks and lamellae where photosystem II and photosystem I <span class="hlt">localize</span>, respectively. Light-harvesting complexes II can be associated to either PSII or PSI depending on the redox state of the plastoquinone pool, and their distribution is governed by state transitions. Upon state transitions, the thylakoid ultrastructure and lateral distribution of proteins along the membrane are subject to significant rearrangements. In addition, quinone diffusion is limited to membrane microdomains and the cytochrome b 6 f complex <span class="hlt">localizes</span> either to PSII-containing grana stacks or PSI-containing stroma lamellae. Here, we discuss possible similarities or differences between green algae and C3 plants on the functional consequences of such heterogeneities in the photosynthetic <span class="hlt">electron</span> transport chain and propose a model in which quinones, accepting <span class="hlt">electrons</span> either from PSII (linear flow) or NDH/PGR pathways (cyclic flow), represent a crucial control point. Our aim is to give an integrated description of these processes and discuss their potential roles in the balance between linear and cyclic <span class="hlt">electron</span> flows.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://www.dtic.mil/docs/citations/ADA250728','DTIC-ST'); return false;" href="http://www.dtic.mil/docs/citations/ADA250728"><span>Ultrafast Studies on <span class="hlt">Electron</span> Transfer in the Betaines: Evidence for <span class="hlt">Local</span> Heating</span></a></p> <p><a target="_blank" href="http://www.dtic.mil/">DTIC Science & Technology</a></p> <p></p> <p>1992-05-18</p> <p>should limit the rate. 12-14 In inverted regime reactions, intrarnolecular vibrational modes can a&elerate the reaction by reducing the effective...is the reverse ET or ground state recovery. This <span class="hlt">electron</span> transfer occurs in the inverted regime. Therefore, we expect that intramolecular vibrational ... modes will be important in ET dynamics. We have used ultrafast pump probe spectroscopy to investigate the ET kinetics of the lowest <span class="hlt">electronic</span></p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/20497257','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/20497257"><span>Histone methylation is a critical regulator of the abnormal expression of POU<span class="hlt">5</span><span class="hlt">F</span>1 and RASSF1A in testis cancer cell lines.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Lambrot, R; Kimmins, S</p> <p>2011-04-01</p> <p>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 <span class="hlt">localization</span> 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 POU<span class="hlt">5</span><span class="hlt">F</span>1, 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 POU<span class="hlt">5</span><span class="hlt">F</span>1 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 POU<span class="hlt">5</span><span class="hlt">F</span>1 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</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://ntrs.nasa.gov/search.jsp?R=19950037021&hterms=vago&qs=N%3D0%26Ntk%3DAll%26Ntx%3Dmode%2Bmatchall%26Ntt%3Dvago','NASA-TRS'); return false;" href="https://ntrs.nasa.gov/search.jsp?R=19950037021&hterms=vago&qs=N%3D0%26Ntk%3DAll%26Ntx%3Dmode%2Bmatchall%26Ntt%3Dvago"><span><span class="hlt">Electron</span> distribution function behavior during <span class="hlt">localized</span> transverse ion acceleration events in the topside auroral zone</span></a></p> <p><a target="_blank" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Lynch, K. A.; Arnoldy, R. L.; Kintner, P. M.; Vago, J. L.</p> <p>1994-01-01</p> <p>The Topaz3 auroral sounding rocket made the following observations concerning the transfer of precipitating auroral <span class="hlt">electron</span> energy to transverse ion acceleration in the topside auroral zone. During the course of the flight, the precipitating <span class="hlt">electron</span> beam was modified to varying degrees by interaction with VLF hiss, at times changing the beam into a field-aligned plateau. The <span class="hlt">electron</span> 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 <span class="hlt">electron</span> 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 <span class="hlt">electrons</span>, although on longer timescales the bursty ions and the bursty <span class="hlt">electrons</span> are correlated.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://ntrs.nasa.gov/search.jsp?R=19950037021&hterms=Electron+Transfer&qs=Ntx%3Dmode%2Bmatchall%26Ntk%3DAll%26N%3D0%26No%3D90%26Ntt%3DElectron%2BTransfer','NASA-TRS'); return false;" href="https://ntrs.nasa.gov/search.jsp?R=19950037021&hterms=Electron+Transfer&qs=Ntx%3Dmode%2Bmatchall%26Ntk%3DAll%26N%3D0%26No%3D90%26Ntt%3DElectron%2BTransfer"><span><span class="hlt">Electron</span> distribution function behavior during <span class="hlt">localized</span> transverse ion acceleration events in the topside auroral zone</span></a></p> <p><a target="_blank" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Lynch, K. A.; Arnoldy, R. L.; Kintner, P. M.; Vago, J. L.</p> <p>1994-01-01</p> <p>The Topaz3 auroral sounding rocket made the following observations concerning the transfer of precipitating auroral <span class="hlt">electron</span> energy to transverse ion acceleration in the topside auroral zone. During the course of the flight, the precipitating <span class="hlt">electron</span> beam was modified to varying degrees by interaction with VLF hiss, at times changing the beam into a field-aligned plateau. The <span class="hlt">electron</span> 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 <span class="hlt">electron</span> 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 <span class="hlt">electrons</span>, although on longer timescales the bursty ions and the bursty <span class="hlt">electrons</span> are correlated.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/27479946','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/27479946"><span>Non-rigid registration and non-<span class="hlt">local</span> principle component analysis to improve <span class="hlt">electron</span> microscopy spectrum images.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Yankovich, Andrew B; Zhang, Chenyu; Oh, Albert; Slater, Thomas J A; Azough, Feridoon; Freer, Robert; Haigh, Sarah J; Willett, Rebecca; Voyles, Paul M</p> <p>2016-09-09</p> <p>Image registration and non-<span class="hlt">local</span> Poisson principal component analysis (PCA) denoising improve the quality of characteristic x-ray (EDS) spectrum imaging of Ca-stabilized Nd2/3TiO3 acquired at atomic resolution in a scanning transmission <span class="hlt">electron</span> microscope. Image registration based on the simultaneously acquired high angle annular dark field image significantly outperforms acquisition with a long pixel dwell time or drift correction using a reference image. Non-<span class="hlt">local</span> Poisson PCA denoising reduces noise more strongly than conventional weighted PCA while preserving atomic structure more faithfully. The reliability of and optimal internal parameters for non-<span class="hlt">local</span> Poisson PCA denoising of EDS spectrum images is assessed using tests on phantom data.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016Nanot..27J4001Y','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016Nanot..27J4001Y"><span>Non-rigid registration and non-<span class="hlt">local</span> principle component analysis to improve <span class="hlt">electron</span> microscopy spectrum images</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Yankovich, Andrew B.; Zhang, Chenyu; Oh, Albert; Slater, Thomas J. A.; Azough, Feridoon; Freer, Robert; Haigh, Sarah J.; Willett, Rebecca; Voyles, Paul M.</p> <p>2016-09-01</p> <p>Image registration and non-<span class="hlt">local</span> Poisson principal component analysis (PCA) denoising improve the quality of characteristic x-ray (EDS) spectrum imaging of Ca-stabilized Nd2/3TiO3 acquired at atomic resolution in a scanning transmission <span class="hlt">electron</span> microscope. Image registration based on the simultaneously acquired high angle annular dark field image significantly outperforms acquisition with a long pixel dwell time or drift correction using a reference image. Non-<span class="hlt">local</span> Poisson PCA denoising reduces noise more strongly than conventional weighted PCA while preserving atomic structure more faithfully. The reliability of and optimal internal parameters for non-<span class="hlt">local</span> Poisson PCA denoising of EDS spectrum images is assessed using tests on phantom data.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/17911823','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/17911823"><span>The role of <span class="hlt">local</span> terminologies in <span class="hlt">electronic</span> health records. The HEGP experience.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Daniel-Le Bozec, Christel; Steichen, Olivier; Dart, Thierry; Jaulent, Marie-Christine</p> <p>2007-01-01</p> <p>Despite decades of work, there is no universally accepted standard medical terminology and no generally usable terminological tools have yet emerged. The <span class="hlt">local</span> dictionary of concepts of the Georges Pompidou European Hospital (HEGP) is a Terminological System (TS) designed to support clinical data entry. It covers 93 data entry forms and contains definitions and synonyms of more than 5000 concepts, sometimes linked to reference terminologies such as ICD-10. In this article, we evaluate to which extend SNOMED CT could fully replace or rather be mapped to the <span class="hlt">local</span> terminology system. We first describe the <span class="hlt">local</span> dictionary of concepts of HEGP according to some published TS characterization framework. Then we discuss the specific role that a <span class="hlt">local</span> terminology system plays with regards to reference terminologies.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/24805837','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/24805837"><span>Superconductivity in a new layered bismuth oxyselenide: LaO(0.<span class="hlt">5</span>)<span class="hlt">F</span>(0.5)BiSe₂.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Krzton-Maziopa, A; Guguchia, Z; Pomjakushina, E; Pomjakushin, V; Khasanov, R; Luetkens, H; Biswas, P K; Amato, A; Keller, H; Conder, K</p> <p>2014-05-28</p> <p>We report superconductivity at T(c) ≈ 2.6 K in a new layered bismuth oxyselenide LaO(0.<span class="hlt">5</span>)<span class="hlt">F</span>(0.5)BiSe2 with the ZrCuSiAs-type structure composed of alternating superconducting BiSe2 and blocking LaO layers. The superconducting properties of LaO(0.<span class="hlt">5</span>)<span class="hlt">F</span>(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.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.osti.gov/scitech/biblio/5478906','SCIGOV-STC'); return false;" href="https://www.osti.gov/scitech/biblio/5478906"><span>Autoradiographic distribution of /sup 14/C-labeled 3H-imidazo(4,<span class="hlt">5</span>-<span class="hlt">f</span>)quinoline-2-amines in mice</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Bergman, K.</p> <p>1985-03-01</p> <p>The highly mutagenic heterocyclic amines, 2-amino-3-methylimidazo(4,<span class="hlt">5</span>-<span class="hlt">f</span>)quinoline (IQ) and 2-amino-3,4-dimethylimidazo(4,<span class="hlt">5</span>-<span class="hlt">f</span>)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 <span class="hlt">localizations</span> in the toxicity of IQ and MeIQ.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://www.osti.gov/scitech/servlets/purl/1297099','SCIGOV-DOEDE'); return false;" href="http://www.osti.gov/scitech/servlets/purl/1297099"><span>Materials Data on LiV2O<span class="hlt">5</span><span class="hlt">F</span> (SG:18) by Materials Project</span></a></p> <p><a target="_blank" href="http://www.osti.gov/dataexplorer">DOE Data Explorer</a></p> <p>Kristin Persson</p> <p>2014-07-09</p> <p>Computed materials data using density functional theory calculations. These calculations determine the <span class="hlt">electronic</span> structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://www.osti.gov/scitech/servlets/purl/1267755','SCIGOV-STC'); return false;" href="http://www.osti.gov/scitech/servlets/purl/1267755"><span>Materials Data on Pr2SbO<span class="hlt">5</span><span class="hlt">F</span> (SG:4) by Materials Project</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Kristin Persson</p> <p>2016-02-04</p> <p>Computed materials data using density functional theory calculations. These calculations determine the <span class="hlt">electronic</span> structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://www.osti.gov/scitech/servlets/purl/1269355','SCIGOV-STC'); return false;" href="http://www.osti.gov/scitech/servlets/purl/1269355"><span>Materials Data on Tc2O<span class="hlt">5</span><span class="hlt">F</span>4 (SG:14) by Materials Project</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Kristin Persson</p> <p>2016-07-14</p> <p>Computed materials data using density functional theory calculations. These calculations determine the <span class="hlt">electronic</span> structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://www.osti.gov/scitech/servlets/purl/1201561','SCIGOV-STC'); return false;" href="http://www.osti.gov/scitech/servlets/purl/1201561"><span>Materials Data on Ge<span class="hlt">5</span><span class="hlt">F</span>12 (SG:14) by Materials Project</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Kristin Persson</p> <p>2016-02-04</p> <p>Computed materials data using density functional theory calculations. These calculations determine the <span class="hlt">electronic</span> structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://www.osti.gov/scitech/servlets/purl/1306166','SCIGOV-STC'); return false;" href="http://www.osti.gov/scitech/servlets/purl/1306166"><span>Materials Data on Mn3O<span class="hlt">5</span><span class="hlt">F</span> (SG:12) by Materials Project</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Kristin Persson</p> <p>2016-04-22</p> <p>Computed materials data using density functional theory calculations. These calculations determine the <span class="hlt">electronic</span> structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://www.osti.gov/scitech/servlets/purl/1269180','SCIGOV-DOEDE'); return false;" href="http://www.osti.gov/scitech/servlets/purl/1269180"><span>Materials Data on Ga3Pb<span class="hlt">5</span><span class="hlt">F</span>19 (SG:108) by Materials Project</span></a></p> <p><a target="_blank" href="http://www.osti.gov/dataexplorer">DOE Data Explorer</a></p> <p>Kristin Persson</p> <p>2016-02-04</p> <p>Computed materials data using density functional theory calculations. These calculations determine the <span class="hlt">electronic</span> structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://www.osti.gov/scitech/servlets/purl/1267380','SCIGOV-STC'); return false;" href="http://www.osti.gov/scitech/servlets/purl/1267380"><span>Materials Data on KNb4O<span class="hlt">5</span><span class="hlt">F</span> (SG:123) by Materials Project</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Kristin Persson</p> <p>2016-02-05</p> <p>Computed materials data using density functional theory calculations. These calculations determine the <span class="hlt">electronic</span> structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://www.osti.gov/scitech/servlets/purl/1202753','SCIGOV-STC'); return false;" href="http://www.osti.gov/scitech/servlets/purl/1202753"><span>Materials Data on S2O<span class="hlt">5</span><span class="hlt">F</span>2 (SG:114) by Materials Project</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Kristin Persson</p> <p>2016-02-04</p> <p>Computed materials data using density functional theory calculations. These calculations determine the <span class="hlt">electronic</span> structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_21");'>21</a></li> <li><a href="#" onclick='return showDiv("page_22");'>22</a></li> <li><a href="#" onclick='return showDiv("page_23");'>23</a></li> <li class="active"><span>24</span></li> <li><a href="#" onclick='return showDiv("page_25");'>25</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_24 --> <div id="page_25" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_21");'>21</a></li> <li><a href="#" onclick='return showDiv("page_22");'>22</a></li> <li><a href="#" onclick='return showDiv("page_23");'>23</a></li> <li><a href="#" onclick='return showDiv("page_24");'>24</a></li> <li class="active"><span>25</span></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="481"> <li> <p><a target="_blank" onclick="trackOutboundLink('http://www.osti.gov/scitech/servlets/purl/1282724','SCIGOV-STC'); return false;" href="http://www.osti.gov/scitech/servlets/purl/1282724"><span>Materials Data on SrLa<span class="hlt">5</span><span class="hlt">F</span>17 (SG:1) by Materials Project</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Kristin Persson</p> <p>2014-07-09</p> <p>Computed materials data using density functional theory calculations. These calculations determine the <span class="hlt">electronic</span> structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://www.osti.gov/scitech/servlets/purl/1293433','SCIGOV-STC'); return false;" href="http://www.osti.gov/scitech/servlets/purl/1293433"><span>Materials Data on V3O<span class="hlt">5</span><span class="hlt">F</span> (SG:7) by Materials Project</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Kristin Persson</p> <p>2016-04-22</p> <p>Computed materials data using density functional theory calculations. These calculations determine the <span class="hlt">electronic</span> structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://www.osti.gov/scitech/servlets/purl/1294166','SCIGOV-STC'); return false;" href="http://www.osti.gov/scitech/servlets/purl/1294166"><span>Materials Data on Mn6O<span class="hlt">5</span><span class="hlt">F</span>7 (SG:7) by Materials Project</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Kristin Persson</p> <p>2016-04-22</p> <p>Computed materials data using density functional theory calculations. These calculations determine the <span class="hlt">electronic</span> structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://www.osti.gov/scitech/servlets/purl/1292964','SCIGOV-STC'); return false;" href="http://www.osti.gov/scitech/servlets/purl/1292964"><span>Materials Data on Fe4O<span class="hlt">5</span><span class="hlt">F</span>3 (SG:7) by Materials Project</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Kristin Persson</p> <p>2016-04-22</p> <p>Computed materials data using density functional theory calculations. These calculations determine the <span class="hlt">electronic</span> structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://www.osti.gov/scitech/servlets/purl/1287361','SCIGOV-STC'); return false;" href="http://www.osti.gov/scitech/servlets/purl/1287361"><span>Materials Data on CaPH4O<span class="hlt">5</span><span class="hlt">F</span> (SG:2) by Materials Project</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Kristin Persson</p> <p>2016-02-04</p> <p>Computed materials data using density functional theory calculations. These calculations determine the <span class="hlt">electronic</span> structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://www.osti.gov/scitech/servlets/purl/1285083','SCIGOV-STC'); return false;" href="http://www.osti.gov/scitech/servlets/purl/1285083"><span>Materials Data on Sn2H2SO<span class="hlt">5</span><span class="hlt">F</span>2 (SG:14) by Materials Project</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Kristin Persson</p> <p>2016-03-28</p> <p>Computed materials data using density functional theory calculations. These calculations determine the <span class="hlt">electronic</span> structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2012APS..MARQ16008G','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2012APS..MARQ16008G"><span>Effect of <span class="hlt">local</span> <span class="hlt">electronic</span> tuning in CeCoIn5</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Gofryk, Krzysztof; Ronning, Filip; Ou, M. N.; Tobash, Paul; Lu, Xin; Bauer, Eric; Thompson, Joe; Stoyko, S.; Mar, A.; Fisk, Zach</p> <p>2012-02-01</p> <p>The relationship between quantum criticality (QC), non-Fermi-liquid (nFl) behavior and the emergence of unconventional superconductivity (SC) in the vicinity of an antiferromagnetic quantum critical point (QCP) is one of the important issues in strongly correlated <span class="hlt">electron</span> physics. Here we report on the effect of <span class="hlt">electronic</span> tuning on superconductivity and quantum criticality in CeCoIn5 driven by <span class="hlt">electron</span> (Pt and Sn) and hole doping (Hg). We show that both Pt and Sn doping have similar strong effect on superconductivity and push the system slightly away from the QCP. The sub-linear power law exponent, even at a high doping level (where the superconductivity is suppressed) could point to the formation of <span class="hlt">electronic</span> inhomogeneity. Moreover, hole doping by Hg can tune the system back to the QCP as demonstrated by an increase of Tc (and subsequently the onset of AFM), a decrease of the coherence temperature T^* and an increase of the power law coefficient n stressing the importance of the interplay of <span class="hlt">electronic</span> tuning and pair breaking effects.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/9503659','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/9503659"><span>Cryo-<span class="hlt">electron</span> diffraction as a tool to study <span class="hlt">local</span> variations in the lipid organization of human stratum corneum.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Pilgram, G S; Van Pelt, A M; Spies, F; Bouwstra, J A; Koerten, H K</p> <p>1998-01-01</p> <p>The human skin provides the body with a barrier against transepidermal water loss and the penetration of harmful agents (e.g. microbes) from outside. This barrier function is produced mainly by the outermost, nonviable layer of the epidermis, the stratum corneum (s.c.). The s.c. consists of terminally differentiated corneocytes surrounded by a continuous intercellular lipid domain, which contains mostly ceramides, cholesterol and free fatty acids. Small- and wide-angle X-ray diffraction studies have elucidated the lamellar and lateral lipid organizations in these domains. However, these techniques require bulk quantities of SC, as a result of which <span class="hlt">local</span> structure information on the lipids cannot be obtained. Insights to these <span class="hlt">local</span> lipid arrangements are important when new transdermal drug delivery systems have to be developed. Therefore, the technique of <span class="hlt">electron</span> diffraction arose as a tool to study the lateral packing of the lipids in the intercellular domains of SC, <span class="hlt">locally</span>. In a previous study, the suitability of <span class="hlt">electron</span> diffraction was demonstrated using a lipid model system that resembled the lipid composition of the SC. The spacings calculated from the <span class="hlt">electron</span> diffraction patterns were in good agreement with the spacings revealed by wide-angle X-ray diffraction. The results presented here succeed this previous study. We improved the microscope settings and developed a new preparation method to study ex vivo human s.c. by cryo-<span class="hlt">electron</span> diffraction. The method is based on the conventional tape-stripping method and offers the possibility to study depth-related changes in the lipid organization of human SC. Diffraction patterns of both hexagonal and orthorhombic lipid lattices have been recorded with spacings that resembled those found in human s.c. by wide-angle X-ray diffraction. After lipid extraction, such diffraction patterns could no longer be detected in the samples.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/26472050','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/26472050"><span>Novel method of simultaneous multiple immunogold <span class="hlt">localization</span> on resin sections in high resolution scanning <span class="hlt">electron</span> microscopy.</span></a></p> <p><a target="_blank" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Nebesarova, Jana; Wandrol, Petr; Vancova, Marie</p> <p>2016-01-01</p> <p>We present a new method of multiple immunolabeling that is suitable for a broad spectrum of biomedical applications. The general concept is to label both sides of the ultrathin section with the thickness of 70-80 nm with different antibodies conjugated to gold nanoparticles and to distinguish the labeled side by advanced imaging methods with high resolution scanning <span class="hlt">electron</span> microscopy, such as by correlating images acquired at different energies of primary <span class="hlt">electrons</span> using different signals. From the Clinical Editor: The use of transmission <span class="hlt">electron</span> microscopy has become an indispensible tool in the detection of cellular proteins. In this short but interesting article, the authors described their new method of labeling and the identification of four different proteins simultaneously, which represents another advance in imaging technique.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.osti.gov/scitech/biblio/22415137','SCIGOV-STC'); return false;" href="https://www.osti.gov/scitech/biblio/22415137"><span><span class="hlt">Localization</span> of <span class="hlt">electrons</span> in dome-shaped GeSi/Si islands</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Yakimov, A. I.; Kirienko, V. V.; Bloshkin, A. A.; Armbrister, V. A.; Kuchinskaya, P. A.; Dvurechenskii, A. V.</p> <p>2015-01-19</p> <p>We report on intraband photocurrent spectroscopy of dome-shaped GeSi islands embedded in a Si matrix with n{sup +}-type bottom and top Si layers. An in-plane polarized photoresponse in the 85–160 meV energy region has been observed and ascribed to the optical excitation of <span class="hlt">electrons</span> from states confined in the strained Si near the dome apexes to the continuum states of unstrained Si. The <span class="hlt">electron</span> confinement is caused by a modification of the conduction band alignment induced by inhomogeneous tensile strain in Si around the buried GeSi quantum dots. Sensitivity of the device to the normal incidence radiation proves a zero-dimensional nature of confined <span class="hlt">electronic</span> wave functions.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2015APS..DPPG12118S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2015APS..DPPG12118S"><span>New <span class="hlt">Electron</span> Temperature Measurements During <span class="hlt">Local</span> Helicity Injection and H-mode Plasmas at the Pegasus Toroidal Experiment</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Schlossberg, D. J.; Bodner, G. M.; Fonck, R. J.; Reusch, J. A.; Winz, G. R.</p> <p>2015-11-01</p> <p>Extrapolation of non-solenoidal startup via <span class="hlt">local</span> helicity injection (LHI) to larger devices depends critically on confinement during the injection process. To begin quantifying confinement regimes, the Thomson scattering diagnostic on the Pegasus ST was upgraded to include 12 radial positions and high temperature (0.1 <Te <1 keV) capability. Previous measurements during high-density, quiescent, Ohmic L-mode discharges yielded well-resolved thermal <span class="hlt">electron</span> distributions, with central Te = 150 eV. In the low-density LHI startup plasmas shot-to-shot averaging of data improves background measurements and increases signal-to-noise ratio. Initial core measurements during the drive phase of LHI suggest average Te of several hundred eV for plasmas with ne ~ 3x1018 m-3 and Ip ~ 0.15 MA. Experiments are underway to verify these unexpectedly high <span class="hlt">electron</span> temperatures. If verified, these temperatures may reflect the dominance of high-energy <span class="hlt">electrons</span> via fueling with LHI current streams with average energy ~1 keV. Further investigations will explore the dependence of the inferred <span class="hlt">electron</span> distribution on fueling source, density, and <span class="hlt">electron</span> injection potential. The upgraded Thomson scattering diagnostic will also be applied to Ohmic H-mode plasmas in Pegasus. Work supported by US DOE grant DE-FG02-96ER54375.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017GeoRL..44.7618H','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017GeoRL..44.7618H"><span>Relativistic <span class="hlt">electron</span> dynamics produced by azimuthally <span class="hlt">localized</span> poloidal mode ULF waves: Boomerang-shaped pitch angle evolutions</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Hao, Y. X.; Zong, Q.-G.; Zhou, X.-Z.; Rankin, R.; Chen, X. R.; Liu, Y.; Fu, S. Y.; Spence, H. E.; Blake, J. B.; Reeves, G. D.</p> <p>2017-08-01</p> <p>We present an analysis of "boomerang-shaped" pitch angle evolutions of outer radiation belt relativistic <span class="hlt">electrons</span> observed by the Van Allen Probes after the passage of an interplanetary shock on 7 June 2014. The flux at different pitch angles is modulated by Pc5 waves, with equatorially mirroring <span class="hlt">electrons</span> reaching the satellite first. For 90° pitch angle <span class="hlt">electrons</span>, the phase change of the flux modulations across energy exceeds 180° and increasingly tilts with time. Using estimates of the arrival time of particles of different pitch angles at the spacecraft location, a scenario is investigated in which shock-induced ULF waves interact with <span class="hlt">electrons</span> through the drift resonance mechanism in a <span class="hlt">localized</span> region westward of the spacecraft. Numerical calculations on particle energy gain with the modified ULF wavefield reproduce the observed boomerang stripes and modulations in the <span class="hlt">electron</span> energy spectrogram. The study of boomerang stripes and their relationship to drift resonance taking place at a location different from the observation point adds new understanding of the processes controlling the dynamics of the outer radiation belt.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2012AIPC.1447..831K','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2012AIPC.1447..831K"><span><span class="hlt">Electronic</span> and optical properties of free standing Pt nanowires using <span class="hlt">localized</span> basis sets</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Kumar, Arun; Kumar, Ashok; Ahluwalia, P. K.</p> <p>2012-06-01</p> <p>In this paper we have investigated structural, <span class="hlt">electronic</span> and optical properties of free standing ultrathin NWs of Pt with different topologies using ab-initio SIESTA code. Dimer and ladder chains have found smallest and largest cohesive energy respectively. <span class="hlt">Electronic</span> band structure and DOS calculations finds more bands and states respectively around Fermi level in ladder topology of Pt chains. It is found that linear and dimer chains act as a good reflector as compared to ladder and zig-zag topologies of Pt chains. Plasmonic frequency of zig-zag and ladder chains are found largest and smallest respectively.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.osti.gov/scitech/biblio/21366701','SCIGOV-STC'); return false;" href="https://www.osti.gov/scitech/biblio/21366701"><span>Mapping <span class="hlt">local</span> optical densities of states in silicon photonic structures with nanoscale <span class="hlt">electron</span> spectroscopy</span></a></p> <p><a target="_blank" href="http://www.osti.gov/scitech">SciTech Connect</a></p> <p>Cha, Judy J.; Couillard, Martin; Muller, David A.; Yu Zongfu; Fan Shanhui; Smith, Eric</p> <p>2010-03-15</p> <p>Relativistic <span class="hlt">electrons</span> in a structured medium generate radiative losses such as Cherenkov and transition radiation that act as a virtual light source, coupling to the photonic densities of states. The effect is most pronounced when the imaginary part of the dielectric function is zero, a regime where in a nonretarded treatment no loss or coupling can occur. Maps of the resultant energy losses as a sub-5 nm <span class="hlt">electron</span> probe scans across finite waveguide structures reveal spatial distributions of optical modes in a spectral domain ranging from near infrared to far ultraviolet.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2015JNR....17..217A','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2015JNR....17..217A"><span>IrPd nanoalloys: simulations, from surface segregation to <span class="hlt">local</span> <span class="hlt">electronic</span> properties</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Andriamiharintsoa, T. H.; Rakotomahevitra, A.; Piccolo, L.; Goyhenex, C.</p> <p>2015-05-01</p> <p>Using semi-empirical modeling, namely tight-binding at different levels of accuracy, the chemical, crystallographic, and <span class="hlt">electronic</span> structures of bimetallic IrPd nanoparticles are characterized. For the purpose, model cuboctahedral particles containing 561 atoms are considered. Atomistic simulations show that core-shell nanoparticles are highly stable, with a strong surface segregation of Pd, at least for one atomic shell thickness. Within self-consistent tight-binding calculations founded on the density functional theory, an accurate insight is given into the <span class="hlt">electronic</span> structure of these materials which have a high potential as catalysts.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2007PhRvA..75a2711H','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2007PhRvA..75a2711H"><span>Dissociative <span class="hlt">electron</span> attachment to the H2O molecule. II. Nuclear dynamics on coupled <span class="hlt">electronic</span> surfaces within the <span class="hlt">local</span> complex potential model</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Haxton, Daniel J.; Rescigno, T. N.; McCurdy, C. W.</p> <p>2007-01-01</p> <p>We report the results of a first-principles study of dissociative <span class="hlt">electron</span> attachment to H2O . The cross sections were obtained from nuclear dynamics calculations carried out in full dimensionality within the <span class="hlt">local</span> complex potential model by using the multiconfiguration time-dependent Hartree method. The calculations employ our previously obtained global, complex-valued, potential-energy surfaces for the three ( B12 , A12 , and B22 ) <span class="hlt">electronic</span> Feshbach resonances involved in this process. These three metastable states of H2O- undergo several degeneracies, and we incorporate both the Renner-Teller coupling between the B12 and A12 states as well as the conical intersection between the A12 and B22 states into our treatment. The nuclear dynamics are inherently multidimensional and involve branching between different final product arrangements as well as extensive excitation of the diatomic fragment. Our results successfully mirror the qualitative features of the major fragment channels observed, but are less successful in reproducing the available results for some of the minor channels. We comment on the applicability of the <span class="hlt">local</span> complex potential model to such a complicated resonant system.</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.gpo.gov/fdsys/pkg/CFR-2012-title49-vol7/pdf/CFR-2012-title49-vol7-part591-appA.pdf','CFR2012'); return false;" href="https://www.gpo.gov/fdsys/pkg/CFR-2012-title49-vol7/pdf/CFR-2012-title49-vol7-part591-appA.pdf"><span>49 CFR Appendix A to Part 591 - Section 591.<span class="hlt">5</span>(<span class="hlt">f</span>) Bond for the Entry of a Single Vehicle</span></a></p> <p><a target="_blank" href="http://www.gpo.gov/fdsys/browse/collectionCfr.action?selectedYearFrom=2012&page.go=Go">Code of Federal Regulations, 2012 CFR</a></p> <p></p> <p>2012-10-01</p> <p>... 49 Transportation 7 2012-10-01 2012-10-01 false Section 591.<span class="hlt">5</span>(<span class="hlt">f</span>) 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....</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4707383','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4707383"><span>Potentially Functional Polymorphisms in POU<span class="hlt">5</span><span class="hlt">F</span>1 Gene Are Associated with the Risk of Lung Cancer in Han Chinese</span></a></p> <p><a target="_blank" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>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</p> <p>2015-01-01</p> <p>POU<span class="hlt">5</span><span class="hlt">F</span>1 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 POU<span class="hlt">5</span><span class="hlt">F</span>1 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 POU<span class="hlt">5</span><span class="hlt">F</span>1 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 POU<span class="hlt">5</span><span class="hlt">F</span>1 gene may contribute to lung cancer susceptibility in a Chinese population. PMID:26824036</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('https://www.gpo.gov/fdsys/pkg/CFR-2014-title26-vol14/pdf/CFR-2014-title26-vol14-sec5f-103-1.pdf','CFR2014'); return false;" href="https://www.gpo.gov/fdsys/pkg/CFR-2014-title26-vol14/pdf/CFR-2014-title26-vol14-sec5f-103-1.pdf"><span>26 CFR <span class="hlt">5</span><span class="hlt">f</span>.103-1 - Obligations issued after December 31, 1982, required to be in registered form.</span></a></p> <p><a target="_blank" href="http://www.gpo.gov/fdsys/browse/collectionCfr.action?selectedYearFrom=2014&page.go=Go">Code of Federal Regulations, 2014 CFR</a></p> <p></p> <p>2014-04-01</p> <p>... 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 § <span class="hlt">5</span><span class="hlt">f</span>.103-1 Obligations issued after December 31,...</p> </li> <li> <p><a target="_blank" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016JAP...119h5107C','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016JAP...119h5107C"><span><span class="hlt">Electronic</span> <span class="hlt">localization</span> and bad-metallicity in pure and <span class="hlt">electron</span>-doped troilite: A <span class="hlt">local</span>-density-approximation plus dynamical-mean-field-theory study of FeS for lithium-ion batteries</span></a></p> <p><a target="_blank" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Craco, L.; Faria, J. L. B.</p> <p>2016-02-01</p> <p>Iron sulfides are promising candidates for the next generation of rechargeable lithium-ion battery materials. Motivated thereby, we present a detailed study of correlation- and doping-induced <span class="hlt">electronic</span> reconstruction in troilite. Based on <span class="hlt">local</span>-density-approximation plus dynamical-mean-field-theory, we stress the importance of multi-orbital Coulomb interactions in concert with first-principles band structure calculations for a consistent understanding of intrinsic Mott-Hubbard insulating state in FeS. We explore the anomalous nature of <span class="hlt">electron</span> doping-induced insulator-bad metal transition, showing that it is driven by orbital-selective dynamical spectral weight transfer. Our results are relevant for understanding charge dynamics upon electrochemical lithiation of iron monosulfides electrode materials for lithium-ion batteries.</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_21");'>21</a></li> <li><a href="#" onclick='return showDiv("page_22");'>22</a></li> <li><a href="#" onclick='return showDiv("page_23");'>23</a></li> <li><a href="#" onclick='return showDiv("page_24");'>24</a></li> <li class="active"><span>25</span></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_25 --> <center> <div class="footer-extlink text-muted"><small>Some links on this page may take you to non-federal websites. 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