Sample records for van hove function

  1. Observation of van Hove Singularities in Twisted Silicene Multilayers

    PubMed Central

    2016-01-01

    Interlayer interactions perturb the electronic structure of two-dimensional materials and lead to new physical phenomena, such as van Hove singularities and Hofstadter’s butterfly pattern. Silicene, the recently discovered two-dimensional form of silicon, is quite unique, in that silicon atoms adopt competing sp2 and sp3 hybridization states leading to a low-buckled structure promising relatively strong interlayer interaction. In multilayer silicene, the stacking order provides an important yet rarely explored degree of freedom for tuning its electronic structures through manipulating interlayer coupling. Here, we report the emergence of van Hove singularities in the multilayer silicene created by an interlayer rotation. We demonstrate that even a large-angle rotation (>20°) between stacked silicene layers can generate a Moiré pattern and van Hove singularities due to the strong interlayer coupling in multilayer silicene. Our study suggests an intriguing method for expanding the tunability of the electronic structure for electronic applications in this two-dimensional material. PMID:27610412

  2. Observation of van Hove Singularities in Twisted Silicene Multilayers.

    PubMed

    Li, Zhi; Zhuang, Jincheng; Chen, Lan; Ni, Zhenyi; Liu, Chen; Wang, Li; Xu, Xun; Wang, Jiaou; Pi, Xiaodong; Wang, Xiaolin; Du, Yi; Wu, Kehui; Dou, Shi Xue

    2016-08-24

    Interlayer interactions perturb the electronic structure of two-dimensional materials and lead to new physical phenomena, such as van Hove singularities and Hofstadter's butterfly pattern. Silicene, the recently discovered two-dimensional form of silicon, is quite unique, in that silicon atoms adopt competing sp(2) and sp(3) hybridization states leading to a low-buckled structure promising relatively strong interlayer interaction. In multilayer silicene, the stacking order provides an important yet rarely explored degree of freedom for tuning its electronic structures through manipulating interlayer coupling. Here, we report the emergence of van Hove singularities in the multilayer silicene created by an interlayer rotation. We demonstrate that even a large-angle rotation (>20°) between stacked silicene layers can generate a Moiré pattern and van Hove singularities due to the strong interlayer coupling in multilayer silicene. Our study suggests an intriguing method for expanding the tunability of the electronic structure for electronic applications in this two-dimensional material.

  3. Spectral Properties of Dirac Billiards at the van Hove Singularities.

    PubMed

    Dietz, B; Klaus, T; Miski-Oglu, M; Richter, A; Wunderle, M; Bouazza, C

    2016-01-15

    We study distributions of the ratios of level spacings of rectangular and Africa-shaped superconducting microwave resonators containing circular scatterers on a triangular grid, so-called Dirac billiards (DBs). The high-precision measurements allowed the determination of, respectively, all 1651 and 1823 eigenfrequencies in the first two bands. The resonance densities are similar to that of graphene. They exhibit two sharp peaks at the van Hove singularities which separate the band structure into regions with a linear and a quadratic dispersion relation, respectively. In the vicinity of the van Hove singularities we observe rapid changes in, e.g., the wave function structure. Accordingly, we question whether the spectral properties are there still determined by the shapes of the DBs. The commonly used statistical measures are no longer applicable; however, we demonstrate in this Letter that the ratio distributions provide suitable measures.

  4. Evidence of van Hove singularities in ordered grain boundaries of graphene.

    PubMed

    Ma, Chuanxu; Sun, Haifeng; Zhao, Yeliang; Li, Bin; Li, Qunxiang; Zhao, Aidi; Wang, Xiaoping; Luo, Yi; Yang, Jinlong; Wang, Bing; Hou, J G

    2014-06-06

    It has long been under debate whether the electron transport performance of graphene could be enhanced by the possible occurrence of van Hove singularities in grain boundaries. Here, we provide direct experimental evidence to confirm the existence of van Hove singularity states close to the Fermi energy in certain ordered grain boundaries using scanning tunneling microscopy. The intrinsic atomic and electronic structures of two ordered grain boundaries, one with alternative pentagon and heptagon rings and the other with alternative pentagon pair and octagon rings, are determined. It is firmly verified that the carrier concentration and, thus, the conductance around ordered grain boundaries can be significantly enhanced by the van Hove singularity states. This finding strongly suggests that a graphene nanoribbon with a properly embedded ordered grain boundary can be a promising structure to improve the performance of graphene-based electronic devices.

  5. The van Hove distribution function for Brownian hard spheres: Dynamical test particle theory and computer simulations for bulk dynamics

    NASA Astrophysics Data System (ADS)

    Hopkins, Paul; Fortini, Andrea; Archer, Andrew J.; Schmidt, Matthias

    2010-12-01

    We describe a test particle approach based on dynamical density functional theory (DDFT) for studying the correlated time evolution of the particles that constitute a fluid. Our theory provides a means of calculating the van Hove distribution function by treating its self and distinct parts as the two components of a binary fluid mixture, with the "self " component having only one particle, the "distinct" component consisting of all the other particles, and using DDFT to calculate the time evolution of the density profiles for the two components. We apply this approach to a bulk fluid of Brownian hard spheres and compare to results for the van Hove function and the intermediate scattering function from Brownian dynamics computer simulations. We find good agreement at low and intermediate densities using the very simple Ramakrishnan-Yussouff [Phys. Rev. B 19, 2775 (1979)] approximation for the excess free energy functional. Since the DDFT is based on the equilibrium Helmholtz free energy functional, we can probe a free energy landscape that underlies the dynamics. Within the mean-field approximation we find that as the particle density increases, this landscape develops a minimum, while an exact treatment of a model confined situation shows that for an ergodic fluid this landscape should be monotonic. We discuss possible implications for slow, glassy, and arrested dynamics at high densities.

  6. Selectively enhanced photocurrent generation in twisted bilayer graphene with van Hove singularity

    PubMed Central

    Yin, Jianbo; Wang, Huan; Peng, Han; Tan, Zhenjun; Liao, Lei; Lin, Li; Sun, Xiao; Koh, Ai Leen; Chen, Yulin; Peng, Hailin; Liu, Zhongfan

    2016-01-01

    Graphene with ultra-high carrier mobility and ultra-short photoresponse time has shown remarkable potential in ultrafast photodetection. However, the broad and weak optical absorption (∼2.3%) of monolayer graphene hinders its practical application in photodetectors with high responsivity and selectivity. Here we demonstrate that twisted bilayer graphene, a stack of two graphene monolayers with an interlayer twist angle, exhibits a strong light–matter interaction and selectively enhanced photocurrent generation. Such enhancement is attributed to the emergence of unique twist-angle-dependent van Hove singularities, which are directly revealed by spatially resolved angle-resolved photoemission spectroscopy. When the energy interval between the van Hove singularities of the conduction and valance bands matches the energy of incident photons, the photocurrent generated can be significantly enhanced (up to ∼80 times with the integration of plasmonic structures in our devices). These results provide valuable insight for designing graphene photodetectors with enhanced sensitivity for variable wavelength. PMID:26948537

  7. Twisted bilayer graphene photoluminescence emission peaks at van Hove singularities.

    PubMed

    Alencar, Thonimar V; von Dreifus, Driele; Gabriela Cota Moreira, Maria; Eliel, Gomes S N; Yeh, Chao-Hui; Chiu, Po-Wen; Pimenta, Marcos A; Malard, Leandro M; Maria de Paula, Ana

    2018-05-02

    We report on photoluminescence emission imaging by femtosecond laser excitation on twisted bilayer graphene samples. The emission images are obtained by tuning the excitation laser energies in the near infrared region. We demonstrate an increase of the photoluminescence emission at excitation energies that depends on the bilayer twist angle. The results show a peak for the light emission when the excitation is in resonance with transitions at the van Hove singularities in the electronic density of states. We measured the photoluminescence excitation peak position and width for samples with various twist angles showing resonances in the energy range of 1.2 to 1.7 eV.

  8. Twisted bilayer graphene photoluminescence emission peaks at van Hove singularities

    NASA Astrophysics Data System (ADS)

    Alencar, Thonimar V.; von Dreifus, Driele; Cota Moreira, Maria Gabriela; Eliel, Gomes S. N.; Yeh, Chao-Hui; Chiu, Po-Wen; Pimenta, Marcos A.; Malard, Leandro M.; de Paula, Ana Maria

    2018-05-01

    We report on photoluminescence emission imaging by femtosecond laser excitation on twisted bilayer graphene samples. The emission images are obtained by tuning the excitation laser energies in the near infrared region. We demonstrate an increase of the photoluminescence emission at excitation energies that depends on the bilayer twist angle. The results show a peak for the light emission when the excitation is in resonance with transitions at the van Hove singularities in the electronic density of states. We measured the photoluminescence excitation peak position and width for samples with various twist angles showing resonances in the energy range of 1.2 to 1.7 eV.

  9. Electronic Transport and Possible Superconductivity at Van Hove Singularities in Carbon Nanotubes.

    PubMed

    Yang, Y; Fedorov, G; Shafranjuk, S E; Klapwijk, T M; Cooper, B K; Lewis, R M; Lobb, C J; Barbara, P

    2015-12-09

    Van Hove singularities (VHSs) are a hallmark of reduced dimensionality, leading to a divergent density of states in one and two dimensions and predictions of new electronic properties when the Fermi energy is close to these divergences. In carbon nanotubes, VHSs mark the onset of new subbands. They are elusive in standard electronic transport characterization measurements because they do not typically appear as notable features and therefore their effect on the nanotube conductance is largely unexplored. Here we report conductance measurements of carbon nanotubes where VHSs are clearly revealed by interference patterns of the electronic wave functions, showing both a sharp increase of quantum capacitance, and a sharp reduction of energy level spacing, consistent with an upsurge of density of states. At VHSs, we also measure an anomalous increase of conductance below a temperature of about 30 K. We argue that this transport feature is consistent with the formation of Cooper pairs in the nanotube.

  10. Specific heat and Knight shift of cuprates within the van Hove scenario

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Sarkar, S.; Das, A.N.

    1996-12-01

    The jump in the specific heat at {ital T}{sub {ital c}}, the specific heat in both the superconducting and normal states, and the Knight shift in the superconducting state are studied within the van Hove singularity scenario considering density of states for a two-dimensional tight-binding system and with an extended saddle-point singularity. The role of the electron-phonon interaction strength, band narrowing, second-nearest-neighbor hopping, and orthorhombic distortion on such properties is investigated. The experimental results on the specific heat and Knight shift of the Y-123 system are compared with the theoretical predictions. {copyright} {ital 1996 The American Physical Society.}

  11. Friedel oscillation near a van Hove singularity in two-dimensional Dirac materials

    NASA Astrophysics Data System (ADS)

    Lu, Chi-Ken

    2016-02-01

    We consider Friedel oscillation in the two-dimensional Dirac materials when the Fermi level is near the van Hove singularity. Twisted graphene bilayer and the surface state of topological crystalline insulator are the representative materials which show low-energy saddle points that are feasible to probe by gating. We approximate the Fermi surface near saddle point with a hyperbola and calculate the static Lindhard response function. Employing a theorem of Lighthill, the induced charge density δ n due to an impurity is obtained and the algebraic decay of δ n is determined by the singularity of the static response function. Although a hyperbolic Fermi surface is rather different from a circular one, the static Lindhard response function in the present case shows a singularity similar with the response function associated with circular Fermi surface, which leads to the δ n\\propto {{R}-2} at large distance R. The dependences of charge density on the Fermi energy are different. Consequently, it is possible to observe in twisted graphene bilayer the evolution that δ n\\propto {{R}-3} near Dirac point changes to δ n\\propto {{R}-2} above the saddle point. Measurements using scanning tunnelling microscopy around the impurity sites could verify the prediction.

  12. Splitting of Van Hove singularities in slightly twisted bilayer graphene

    NASA Astrophysics Data System (ADS)

    Li, Si-Yu; Liu, Ke-Qin; Yin, Long-Jing; Wang, Wen-Xiao; Yan, Wei; Yang, Xu-Qin; Yang, Jun-Kai; Liu, Haiwen; Jiang, Hua; He, Lin

    2017-10-01

    A variety of new and interesting electronic properties have been predicted in graphene monolayer doped to Van Hove singularities (VHSs) of its density of state. However, tuning the Fermi energy to reach a VHS of graphene by either gating or chemical doping is prohibitively difficult, owing to their large energy distance (˜3 eV). This difficulty can be easily overcome in twisted bilayer graphene (TBG). By introducing a small twist angle between two adjacent graphene sheets, we are able to generate two low-energy VHSs arbitrarily approaching the Fermi energy. Here, we report experimental studies of electronic properties around the VHSs of a slightly TBG through scanning tunneling microscopy measurements. The split of the VHSs is observed and the spatial symmetry breaking of electronic states around the VHSs is directly visualized. These exotic results provide motivation for further theoretical and experimental studies of graphene systems around the VHSs.

  13. Parameterization of the Van Hove dynamic self-scattering law Ss(Q,omega)

    NASA Astrophysics Data System (ADS)

    Zetterstrom, P.

    In this paper we present a model of the Van Hove dynamic scattering law SME(Q, omega) based on the maximum entropy principle which is developed for the first time. The model is aimed to be used in the calculation of inelastic corrections to neutron diffraction data. The model is constrained by the first and second frequency moments and detailed balance, but can be expanded to an arbitrary number of frequency moments. The second moment can be varied by an effective temperature to account for the kinetic energy of the atoms. The results are compared with a diffusion model of the scattering law. Finally some calculations of the inelastic self-scattering for a time-of-flight diffractometer are presented. From this we show that the inelastic self-scattering is very sensitive to the details of the dynamic scattering law.

  14. One- and two-channel Kondo model with logarithmic Van Hove singularity: A numerical renormalization group solution

    NASA Astrophysics Data System (ADS)

    Zhuravlev, A. K.; Anokhin, A. O.; Irkhin, V. Yu.

    2018-02-01

    Simple scaling consideration and NRG solution of the one- and two-channel Kondo model in the presence of a logarithmic Van Hove singularity at the Fermi level is given. The temperature dependences of local and impurity magnetic susceptibility and impurity entropy are calculated. The low-temperature behavior of the impurity susceptibility and impurity entropy turns out to be non-universal in the Kondo sense and independent of the s-d coupling J. The resonant level model solution in the strong coupling regime confirms the NRG results. In the two-channel case the local susceptibility demonstrates a non-Fermi-liquid power-law behavior.

  15. Van Hove singularities and excitonic effects in the optical conductivity of twisted bilayer graphene.

    PubMed

    Havener, Robin W; Liang, Yufeng; Brown, Lola; Yang, Li; Park, Jiwoong

    2014-06-11

    We report a systematic study of the optical conductivity of twisted bilayer graphene (tBLG) across a large energy range (1.2-5.6 eV) for various twist angles, combined with first-principles calculations. At previously unexplored high energies, our data show signatures of multiple van Hove singularities (vHSs) in the tBLG bands as well as the nonlinearity of the single layer graphene bands and their electron-hole asymmetry. Our data also suggest that excitonic effects play a vital role in the optical spectra of tBLG. Including electron-hole interactions in first-principles calculations is essential to reproduce the shape of the conductivity spectra, and we find evidence of coherent interactions between the states associated with the multiple vHSs in tBLG.

  16. Dirac points and van Hove singularities of silicene under uniaxial strain

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Lin, Xianqing, E-mail: xqlin@zjut.edu.cn; College of Science, Zhejiang University of Technology, Hangzhou 310023; Ni, Jun

    2015-04-28

    First-principles calculations have been performed to investigate the low energy electronic properties and van Hove singularities (VHSs) of silicene under uniaxial strain. The Dirac points (DPs) persist when silicene is stretched uniaxially, while they are shifted away from the corners (K points) of the first Brillouin zone (FBZ). The relative positions of DPs with respect to the K points for silicene strained along the armchair (AC) or zigzag (ZZ) direction show opposite tendency compared with strained graphene, which is due to the larger deformation of the unit cell of strained silicene than that of strained graphene. Moreover, for silicene undermore » AC or ZZ strain, the Fermi velocities around DPs along the positive and negative directions of the FBZ show rather significant difference. The nature of the VHS just above the Fermi energy undergoes a transition from the π* band to the σ* band for silicene under increasing AC or ZZ strain. These observations suggest uniaxial strain as an effective route to tune the electronic properties of silicene for potential applications in future electronic devices.« less

  17. Importance of the van Hove singularity in superconducting PdTe2

    NASA Astrophysics Data System (ADS)

    Kim, Kyoo; Kim, Sooran; Kim, J. S.; Kim, Heejung; Park, J.-H.; Min, B. I.

    2018-04-01

    We have investigated the electronic, phononic, and superconducting properties of the transition-metal dichalcogenide superconductor PdTe2, and explored the origin of different superconducting behaviors between PdTe2 and its isostructural PtTe2 that is nonsuperconducting. We have found that the saddle-point van Hove singularity (vHs) near the Fermi level, which interacts strongly with Te phonon modes, plays an important role in the BCS-type superconductivity of PdTe2. We show that, with electron doping, the vHs in PdTe2 shifts down toward the Fermi level to enhance Tc, as is consistent with the observed enhancement of Tc in Cu-doped PdTe2. We ascribe the absence of superconductivity in PtTe2 to the different dispersion behavior of the saddle-point vHs band from that of PdTe2. We also suggest that this difference in the vHs band behaviors is responsible for the different structural responses of PdTe2 and PtTe2 to external pressure.

  18. Van Hove singularities in the paramagnetic phase of the Hubbard model: DMFT study

    NASA Astrophysics Data System (ADS)

    Žitko, Rok; Bonča, Janez; Pruschke, Thomas

    2009-12-01

    Using the dynamical mean-field theory (DMFT) with the numerical renormalization-group impurity solver we study the paramagnetic phase of the Hubbard model with the density of states (DOS) corresponding to the three-dimensional (3D) cubic lattice and the two-dimensional (2D) square lattice, as well as a DOS with inverse square-root singularity. We show that the electron correlations rapidly smooth out the square-root van Hove singularities (kinks) in the spectral function for the 3D lattice and that the Mott metal-insulator transition (MIT) as well as the magnetic-field-induced MIT differ only little from the well-known results for the Bethe lattice. The consequences of the logarithmic singularity in the DOS for the 2D lattice are more dramatic. At half filling, the divergence pinned at the Fermi level is not washed out, only its integrated weight decreases as the interaction is increased. While the Mott transition is still of the usual kind, the magnetic-field-induced MIT falls into a different universality class as there is no field-induced localization of quasiparticles. In the case of a power-law singularity in the DOS at the Fermi level, the power-law singularity persists in the presence of interaction, albeit with a different exponent, and the effective impurity model in the DMFT turns out to be a pseudogap Anderson impurity model with a hybridization function which vanishes at the Fermi level. The system is then a generalized Fermi liquid. At finite doping, regular Fermi-liquid behavior is recovered.

  19. The interplay of the gap, the magnetic resonance, and the van Hove singularity

    NASA Astrophysics Data System (ADS)

    Levy, Giorgio; Berthod, Christophe; Fischer, Oystein

    2007-03-01

    The characteristic features of the tunneling spectra in the Bi-based HTS are a d-wave like gap structure, strong and often asymmetric coherence peaks, and an asymmetric dip-hump structure at higher energy. Hoogenboom et al. [1] analysed the spectra of the two-layer compound Bi2212 and showed that all of these properties can be understood assuming d-wave superconductivity, a band structure as measured by ARPES, and an interaction of the quasiparticles with the magnetic resonant mode. In particular the asymmetric dip-hump results in this model from the interplay of the gap, the mode and the van Hove singularity present in the band structure. Here we analyse new data for the three-layer compound Bi2223. Unlike in Ref. [1], we perform full unconstrained least-square fits in order to determine the various parameters of the model directly from the experimental data. This allows us to determine the doping dependence of the gap and of the magnetic resonance energy. [1] B. W. Hoogenboom, C. Berthod, M. Peter, ø. Fischer, and A. A. Kordyuk, Phys. Rev. B 67, 224502 (2003).

  20. Resistivity in the Vicinity of a van Hove Singularity: Sr2RuO4 under Uniaxial Pressure

    NASA Astrophysics Data System (ADS)

    Barber, M. E.; Gibbs, A. S.; Maeno, Y.; Mackenzie, A. P.; Hicks, C. W.

    2018-02-01

    We report the results of a combined study of the normal-state resistivity and superconducting transition temperature Tc of the unconventional superconductor Sr2 RuO4 under uniaxial pressure. There is strong evidence that, as well as driving Tc through a maximum at ˜3.5 K , compressive strains ɛ of nearly 1% along the crystallographic [100] axis drive the γ Fermi surface sheet through a van Hove singularity, changing the temperature dependence of the resistivity from T2 above, and below the transition region to T1.5 within it. This occurs in extremely pure single-crystals in which the impurity contribution to the resistivity is <100 n Ω cm , so our study also highlights the potential of uniaxial pressure as a more general probe of this class of physics in clean systems.

  1. Van Hove singularities and spectral smearing in high-temperature superconducting H3S

    NASA Astrophysics Data System (ADS)

    Quan, Yundi; Pickett, Warren E.

    2016-03-01

    The superconducting phase of hydrogen sulfide at Tc=200 K observed by Drozdov and collaborators at pressures around 200 GPa is simple bcc I m 3 ¯m H3S from a combination of theoretical and experimental confirmation. The various "extremes" that are involved—high pressure implying extreme reduction of volume, extremely high H phonon energy scale around 1400 K, extremely high temperature for a superconductor—necessitates a close look at new issues raised by these characteristics in relation to high Tc itself. First principles methods are applied to analyze the H3S electronic structure, beginning with the effect of sulfur and then focusing on the origin and implications of the two van Hove singularities (vHs) providing an impressive peak in the density of states near the Fermi energy. Implications arising from strong coupling Migdal-Eliashberg theory are studied. It becomes evident that electron spectral density smearing due to virtual phonon emission and absorption must be accounted for in a correct understanding of this unusual material and to obtain accurate theoretical predictions. Means for increasing Tc in H3S -like materials are noted.

  2. van Hove Singularities and Spectral Smearing in High Temperature Superconducting H3S

    NASA Astrophysics Data System (ADS)

    Quan, Yundi; Pickett, Warren E.

    The superconducting phase of hydrogen sulfide at Tc=200 K observed by Drozdov and collaborators at pressures around 200 GPa is simple bcc Im 3 m H3S reopens questions about what is achievable in high Tc. The various ''extremes'' that are involved - pressure, implying extreme reduction of volume, extremely high H phonon energy scale around 1400K, extremely high temperature for a superconductor - necessitate a close look at new issues raised by these characteristics in relation to high Tc. We have applied first principles methods to analyze the H3S electronic structure, particularly the van Hove singularities (vHs) and the effect of sulfur. Focusing on the two closely spaced vHs near the Fermi level that give rise to the impressively sharp peak in the density of states, the implications of strong coupling Migdal-Eliashberg theory are assessed. The electron spectral density smearing due to virtual phonon emission and absorption, as done in earlier days for A15 superconductors, must be included explicitly to obtain accurate theoretical predictions and a correct understanding. Means for increasing Tc in H3S-like materials will be mentioned. NSF DMR Grant 1207622.

  3. Abrupt current switching in graphene bilayer tunnel transistors enabled by van Hove singularities.

    PubMed

    Alymov, Georgy; Vyurkov, Vladimir; Ryzhii, Victor; Svintsov, Dmitry

    2016-04-21

    In a continuous search for the energy-efficient electronic switches, a great attention is focused on tunnel field-effect transistors (TFETs) demonstrating an abrupt dependence of the source-drain current on the gate voltage. Among all TFETs, those based on one-dimensional (1D) semiconductors exhibit the steepest current switching due to the singular density of states near the band edges, though the current in 1D structures is pretty low. In this paper, we propose a TFET based on 2D graphene bilayer which demonstrates a record steep subthreshold slope enabled by van Hove singularities in the density of states near the edges of conduction and valence bands. Our simulations show the accessibility of 3.5 × 10(4) ON/OFF current ratio with 150 mV gate voltage swing, and a maximum subthreshold slope of (20 μV/dec)(-1) just above the threshold. The high ON-state current of 0.8 mA/μm is enabled by a narrow (~0.3 eV) extrinsic band gap, while the smallness of the leakage current is due to an all-electrical doping of the source and drain contacts which suppresses the band tailing and trap-assisted tunneling.

  4. Abrupt current switching in graphene bilayer tunnel transistors enabled by van Hove singularities

    PubMed Central

    Alymov, Georgy; Vyurkov, Vladimir; Ryzhii, Victor; Svintsov, Dmitry

    2016-01-01

    In a continuous search for the energy-efficient electronic switches, a great attention is focused on tunnel field-effect transistors (TFETs) demonstrating an abrupt dependence of the source-drain current on the gate voltage. Among all TFETs, those based on one-dimensional (1D) semiconductors exhibit the steepest current switching due to the singular density of states near the band edges, though the current in 1D structures is pretty low. In this paper, we propose a TFET based on 2D graphene bilayer which demonstrates a record steep subthreshold slope enabled by van Hove singularities in the density of states near the edges of conduction and valence bands. Our simulations show the accessibility of 3.5 × 104 ON/OFF current ratio with 150 mV gate voltage swing, and a maximum subthreshold slope of (20 μV/dec)−1 just above the threshold. The high ON-state current of 0.8 mA/μm is enabled by a narrow (~0.3 eV) extrinsic band gap, while the smallness of the leakage current is due to an all-electrical doping of the source and drain contacts which suppresses the band tailing and trap-assisted tunneling. PMID:27098051

  5. Continuous-time random-walk approach to supercooled liquids: Self-part of the van Hove function and related quantities.

    PubMed

    Helfferich, J; Brisch, J; Meyer, H; Benzerara, O; Ziebert, F; Farago, J; Baschnagel, J

    2018-06-01

    From equilibrium molecular dynamics (MD) simulations of a bead-spring model for short-chain glass-forming polymer melts we calculate several quantities characterizing the single-monomer dynamics near the (extrapolated) critical temperature [Formula: see text] of mode-coupling theory: the mean-square displacement g 0 (t), the non-Gaussian parameter [Formula: see text] and the self-part of the van Hove function [Formula: see text] which measures the distribution of monomer displacements r in time t. We also determine these quantities from a continuous-time random walk (CTRW) approach. The CTRW is defined in terms of various probability distributions which we know from previous analysis. Utilizing these distributions the CTRW can be solved numerically and compared to the MD data with no adjustable parameter. The MD results reveal the heterogeneous and non-Gaussian single-particle dynamics of the supercooled melt near [Formula: see text]. In the time window of the early [Formula: see text] relaxation [Formula: see text] is large and [Formula: see text] is broad, reflecting the coexistence of monomer displacements that are much smaller ("slow particles") and much larger ("fast particles") than the average at time t, i.e. than [Formula: see text]. For large r the tail of [Formula: see text] is compatible with an exponential decay, as found for many glassy systems. The CTRW can reproduce the spatiotemporal dependence of [Formula: see text] at a qualitative to semiquantitative level. However, it is not quantitatively accurate in the studied temperature regime, although the agreement with the MD data improves upon cooling. In the early [Formula: see text] regime we also analyze the MD results for [Formula: see text] via the space-time factorization theorem predicted by ideal mode-coupling theory. While we find the factorization to be well satisfied for small r, both above and below [Formula: see text] , deviations occur for larger r comprising the tail of [Formula: see text

  6. Observation of van Hove singularity and quasiparticle interference in KFe2 As2 superconductors revealed by STM/STS measurements

    NASA Astrophysics Data System (ADS)

    Wen, Hai-Hu; Fang, Delong; Du, Zengyi; Wang, Zhenyu; Yang, Huan; Ding, Xiaxin

    2015-03-01

    We have conducted STM/STS investigations on the KFe2As2 superconducting single crystals down to 0.45 K under magnetic field. Clear electronic standing waves have been observed allowing us to investigate the quasiparticle interference (QPI). Interestingly we observed a sharp peak of local density of states (LDOS) near the Fermi energy showing evidence of strongly enhanced DOS both below and above Tc. We demonstrate that this is induced by a van Hove singularity with the saddle point locating only 4 meV below the Fermi energy. Below Tc it is found that only 20% of the normal state DOS is gapped away by superconductivity, with the major part of DOS due to VHS ungapped. Combing with the ARPES data, we find that the VHS points locate on the (π,0) point, which gives strong constraint on the gap function and pairing mechanism. In the mixed state we clearly observed the mixture of vortices and the standing waves due to quasiparticle interference, giving support to above picture. In collaboration with X. Shi, P. Richard, T. Qian and H. Ding et al. in Institute of Physics, CAS.

  7. Observation of Van Hove Singularities and Temperature Dependence of Electrical Characteristics in Suspended Carbon Nanotube Schottky Barrier Transistors

    NASA Astrophysics Data System (ADS)

    Zhang, Jian; Liu, Siyu; Nshimiyimana, Jean Pierre; Deng, Ya; Hu, Xiao; Chi, Xiannian; Wu, Pei; Liu, Jia; Chu, Weiguo; Sun, Lianfeng

    2018-06-01

    A Van Hove singularity (VHS) is a singularity in the phonon or electronic density of states of a crystalline solid. When the Fermi energy is close to the VHS, instabilities will occur, which can give rise to new phases of matter with desirable properties. However, the position of the VHS in the band structure cannot be changed in most materials. In this work, we demonstrate that the carrier densities required to approach the VHS are reached by gating in a suspended carbon nanotube Schottky barrier transistor. Critical saddle points were observed in regions of both positive and negative gate voltage, and the conductance flattened out when the gate voltage exceeded the critical value. These novel physical phenomena were evident when the temperature is below 100 K. Further, the temperature dependence of the electrical characteristics was also investigated in this type of Schottky barrier transistor.

  8. Singularités de Van Hove des transitions inter sous-bande dans les détecteurs infrarouge à multipuits quantiques (MPQ)

    NASA Astrophysics Data System (ADS)

    Le Rouzo, J.; Ribet-Mohamed, I.; Haidar, R.; Guérineau, N.; Tauvy, M.; Rosencher, E.

    2006-10-01

    Des mesures de réponse spectrale à très grande dynamique ont été réalisées sur des détecteurs infrarouge à MPQ. Ces mesures montrent la présence de structures spectrales qui n'ont jamais été observées jusqu'alors. Basés sur un modèle de Kronig-Penney, classiquement utilisé dans les structures périodiques, nos résultats de simulation permettent d'attribuer sans ambiguïté ces structures à la présence de mini bandes d'énergie. De plus les exaltations de réponse en bord de bande correspondent à des singularités de Van Hove. Ce résultat important ouvre de nombreuses perspectives dans le domaine de la détection infrarouge.

  9. Bulk dynamics of Brownian hard disks: Dynamical density functional theory versus experiments on two-dimensional colloidal hard spheres

    NASA Astrophysics Data System (ADS)

    Stopper, Daniel; Thorneywork, Alice L.; Dullens, Roel P. A.; Roth, Roland

    2018-03-01

    Using dynamical density functional theory (DDFT), we theoretically study Brownian self-diffusion and structural relaxation of hard disks and compare to experimental results on quasi two-dimensional colloidal hard spheres. To this end, we calculate the self-van Hove correlation function and distinct van Hove correlation function by extending a recently proposed DDFT-approach for three-dimensional systems to two dimensions. We find that the theoretical results for both self-part and distinct part of the van Hove function are in very good quantitative agreement with the experiments up to relatively high fluid packing fractions of roughly 0.60. However, at even higher densities, deviations between the experiment and the theoretical approach become clearly visible. Upon increasing packing fraction, in experiments, the short-time self-diffusive behavior is strongly affected by hydrodynamic effects and leads to a significant decrease in the respective mean-squared displacement. By contrast, and in accordance with previous simulation studies, the present DDFT, which neglects hydrodynamic effects, shows no dependence on the particle density for this quantity.

  10. Electronic structure and the van Hove singularity scenario in high-T(sub c)H(g)Ba2CuO(4+delta) superconductors

    NASA Technical Reports Server (NTRS)

    Agrawal, Bal K.; Agrawal, Savitri

    1995-01-01

    The electronic structure and the hole concentrations in the high Tc superconductor HgBa2CuO(4+delta) (delta = O, 1) has been investigated by employing a first principles full potential self-consistent LMTO method with the local density functional theory. The scalar relativistic effects have been considered. The hole concentrations of the Cu-d and O-p(x,y) orbitals are seen to be larger for the HgBaCuO5 system than those of the HgBaCuO4 solid. However, the van Hove singularity (vHs) induced Cu-d and O-p peak which is seen to lie comparatively away and above the Fermi level in the delta = 1 system shifts towards the Fermi level in the delta = 0 system. Thus, the superconducting behavior appears to originate from the occurrence of the vHs peak at the Fermi level. The Fermi surface nesting area in the delta = 0 compound is seen to be larger than in the delta = 1 compound. The calculation reveals that the increase in pressure on the crystal enhances the hole concentrations but without showing any optimum value, On the other hand, the vHs peak approaches to-wards the Fermi level with pressure and crosses the Fermi surface near V/Vo approximately equals 0.625 (V and Vo are the crystal volumes at high and normal pressures, respectively). Our calculated value of the bulk modulus equal to 0.626 Mbar predicts the occurrence of this crossover at about 24 GPa which is in complete agreement with the experimental value. At this pressure the compound has maximum nesting area and self-doped behavior.

  11. Health in the urban environment: a qualitative review of the Brighton and Hove WHO Healthy City Program.

    PubMed

    Hall, Caroline; Davies, John Kenneth; Sherriff, Nigel

    2010-01-01

    Phase IV of the WHO European Region's Healthy Cities Program ended in December 2008. This article presents the findings from a recently completed review of Brighton and Hove's Healthy City Program which aimed to scope whether added value had accrued from the city's role as a WHO Healthy City during phase IV. In contrast to most other evaluations of healthy cities, this review adopted a qualitative approach representing an appraisal of the Brighton and Hove Healthy City Program from the internal viewpoint of its local stakeholders. In addition to documentary analysis and a facilitated workshop, a series of in-depth interviews (N = 27) were conducted with stakeholders from the Brighton and Hove Healthy City Partnership representing each of the sectors reflected in the Local Strategic Partnership (public, statutory, elected, community and voluntary, neighborhood and communities, business). The key findings of the review are presented in a way which reflects the three key areas of the review including (1) the healthy cities approach, (2) participation in phase IV of the WHO Healthy Cities Program, and (3) the Brighton and Hove Healthy City Partnership. These findings are discussed, and recommendations for action at local, national, and European levels are proposed. In particular, we argue that there is an urgent need to develop a suitable monitoring and evaluation system for the WHO Healthy Cities Program with appropriate indicators that are meaningful and relevant to local stakeholders. Moreover, it would be important for any such system to capitalize on the benefits that qualitative methodologies can offer alongside more traditional quantitative indicators.

  12. From a Whisper to a Scream: The Campaign for Education in Brighton & Hove

    ERIC Educational Resources Information Center

    Edmond, Nadia; Pettitt, Aidan

    2016-01-01

    This article gives a brief history of the creation and first two years of the Campaign for Education in Brighton and Hove. It makes a case for grass-roots responses to the various neo-liberal policy initiatives undermining all phases of public education. This article was written prior to publication of the White Paper, Educational Excellence…

  13. Functional renormalization group and variational Monte Carlo studies of the electronic instabilities in graphene near (1)/(4) doping

    NASA Astrophysics Data System (ADS)

    Wang, Wan-Sheng; Xiang, Yuan-Yuan; Wang, Qiang-Hua; Wang, Fa; Yang, Fan; Lee, Dung-Hai

    2012-01-01

    We study the electronic instabilities of near 1/4 electron doped graphene using the singular-mode functional renormalization group, with a self-adaptive k mesh to improve the treatment of the van Hove singularities, and variational Monte Carlo method. At 1/4 doping the system is a chiral spin-density wave state exhibiting the anomalous quantized Hall effect. When the doping deviates from 1/4, the dx2-y2+idxy Cooper pairing becomes the leading instability. Our results suggest that near 1/4 electron or hole doping (away from the neutral point) the graphene is either a Chern insulator or a topoligical superconductor.

  14. Upscaled soil-water retention using van Genuchten's function

    USGS Publications Warehouse

    Green, T.R.; Constantz, J.E.; Freyberg, D.L.

    1996-01-01

    Soils are often layered at scales smaller than the block size used in numerical and conceptual models of variably saturated flow. Consequently, the small-scale variability in water content within each block must be homogenized (upscaled). Laboratory results have shown that a linear volume average (LVA) of water content at a uniform suction is a good approximation to measured water contents in heterogeneous cores. Here, we upscale water contents using van Genuchten's function for both the local and upscaled soil-water-retention characteristics. The van Genuchten (vG) function compares favorably with LVA results, laboratory experiments under hydrostatic conditions in 3-cm cores, and numerical simulations of large-scale gravity drainage. Our method yields upscaled vG parameter values by fitting the vG curve to the LVA of water contents at various suction values. In practice, it is more efficient to compute direct averages of the local vG parameter values. Nonlinear power averages quantify a feasible range of values for each upscaled vG shape parameter; upscaled values of N are consistently less than the harmonic means, reflecting broad pore-size distributions of the upscaled soils. The vG function is useful for modeling soil-water retention at large scales, and these results provide guidance for its application.

  15. Raman Excitation Profile of the G-band Enhancement in Twisted Bilayer Graphene

    NASA Astrophysics Data System (ADS)

    Eliel, G. S. N.; Ribeiro, H. B.; Sato, K.; Saito, R.; Lu, Chun-Chieh; Chiu, Po-Wen; Fantini, C.; Righi, A.; Pimenta, M. A.

    2017-12-01

    A resonant Raman study of twisted bilayer graphene (TBG) samples with different twisting angles using many different laser lines in the visible range is presented. The samples were fabricated by CVD technique and transferred to Si/SiO2 substrates. The Raman excitation profiles of the huge enhancement of the G-band intensity for a group of different TBG flakes were obtained experimentally, and the analysis of the profiles using a theoretical expression for the Raman intensities allowed us to obtain the energies of the van Hove singularities generated by the Moiré patterns and the lifetimes of the excited state of the Raman process. Our results exhibit a good agreement between experimental and calculated energies for van Hove singularities and show that the lifetime of photoexcited carrier does not depend significantly on the twisting angle in the range intermediate angles ( 𝜃 between 10∘ and 15∘). We observed that the width of the resonance window (Γ ≈ 250 meV) is much larger than the REP of the Raman modes of carbon nanotubes, which are also enhanced by resonances with van Hove singularities.

  16. Structural and Functional Adaptation of Vancomycin Resistance VanT Serine Racemases

    PubMed Central

    Meziane-Cherif, Djalal; Stogios, Peter J.; Evdokimova, Elena; Egorova, Olga

    2015-01-01

    ABSTRACT Vancomycin resistance in Gram-positive bacteria results from the replacement of the d-alanyl–d-alanine target of peptidoglycan precursors with d-alanyl–d-lactate or d-alanyl–d-serine (d-Ala-d-Ser), to which vancomycin has low binding affinity. VanT is one of the proteins required for the production of d-Ala-d-Ser-terminating precursors by converting l-Ser to d-Ser. VanT is composed of two domains, an N-terminal membrane-bound domain, likely involved in l-Ser uptake, and a C-terminal cytoplasmic catalytic domain which is related to bacterial alanine racemases. To gain insight into the molecular function of VanT, the crystal structure of the catalytic domain of VanTG from VanG-type resistant Enterococcus faecalis BM4518 was determined. The structure showed significant similarity to type III pyridoxal 5′-phosphate (PLP)-dependent alanine racemases, which are essential for peptidoglycan synthesis. Comparative structural analysis between VanTG and alanine racemases as well as site-directed mutagenesis identified three specific active site positions centered around Asn696 which are responsible for the l-amino acid specificity. This analysis also suggested that VanT racemases evolved from regular alanine racemases by acquiring additional selectivity toward serine while preserving that for alanine. The 4-fold-lower relative catalytic efficiency of VanTG against l-Ser versus l-Ala implied that this enzyme relies on its membrane-bound domain for l-Ser transport to increase the overall rate of d-Ser production. These findings illustrate how vancomycin pressure selected for molecular adaptation of a housekeeping enzyme to a bifunctional enzyme to allow for peptidoglycan remodeling, a strategy increasingly observed in antibiotic-resistant bacteria. PMID:26265719

  17. Structural and functional adaptation of vancomycin resistance VanT serine racemases

    DOE PAGES

    Meziane-Cherif, Djalal; Stogios, Peter J.; Evdokimova, Elena; ...

    2015-08-11

    Vancomycin resistance in Gram-positive bacteria results from the replacement of the D-alanyl–D-alanine target of peptidoglycan precursors with D-alanyl–D-lactate or D-alanyl–D-serine (D-Ala-D-Ser), to which vancomycin has low binding affinity. VanT is one of the proteins required for the production of D-Ala-D-Ser-terminating precursors by converting L-Ser to D-Ser. VanT is composed of two domains, an N-terminal membrane-bound domain, likely involved in L-Ser uptake, and a C-terminal cytoplasmic catalytic domain which is related to bacterial alanine racemases. To gain insight into the molecular function of VanT, the crystal structure of the catalytic domain of VanT G from VanG-type resistant Enterococcus faecalis BM4518more » was determined. The structure showed significant similarity to type III pyridoxal 5'-phosphate (PLP)-dependent alanine racemases, which are essential for peptidoglycan synthesis. Comparative structural analysis between VanT G and alanine racemases as well as site-directed mutagenesis identified three specific active site positions centered around Asn 696 which are responsible for theL-amino acid specificity. This analysis also suggested that VanT racemases evolved from regular alanine racemases by acquiring additional selectivity toward serine while preserving that for alanine. The 4-fold-lower relative catalytic efficiency of VanT G against L-Ser versus L-Ala implied that this enzyme relies on its membrane-bound domain for L-Ser transport to increase the overall rate of D-Ser production. These findings illustrate how vancomycin pressure selected for molecular adaptation of a housekeeping enzyme to a bifunctional enzyme to allow for peptidoglycan remodeling, a strategy increasingly observed in antibiotic-resistant bacteria.« less

  18. Effect of impurity doping on tunneling conductance in AB-stacked bi-layer graphene: A tight-binding study

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Rout, G. C., E-mail: siva1987@iopb.res.in, E-mail: skp@iopb.res.in, E-mail: gcr@iopb.res.in; Sahu, Sivabrata; Panda, S. K.

    2016-04-13

    We report here a microscopic tight-binding model calculation for AB-stacked bilayer graphene in presence of biasing potential between the two layers and the impurity effects to study the evolution of the total density of states with special emphasis on opening of band gap near Dirac point. We have calculated the electron Green’s functions for both the A and B sub-lattices by Zubarev technique. The imaginary part of the Green’s function gives the partial and total density of states of electrons. The density of states are computed numerically for 1000 × 1000 grid points of the electron momentum. The evolution ofmore » the opening of band gap near van-Hove singularities as well as near Dirac point is investigated by varying the different interlayer hoppings and the biasing potentials. The inter layer hopping splits the density of states at van-Hove singularities and produces a V-shaped gap near Dirac point. Further the biasing potential introduces a U shaped gap near Dirac point with a density minimum at the applied potential(i.e. at V/2).« less

  19. Impurity-induced anisotropic semiconductor-semimetal transition in monolayer biased black phosphorus

    NASA Astrophysics Data System (ADS)

    Bui, D. H.; Yarmohammadi, Mohsen

    2018-07-01

    Taking into account the electron-impurity interaction within the continuum approximation of tight-binding model, the Born approximation, and the Green's function method, the main features of anisotropic electronic phase transition are investigated in monolayer biased black phosphorus (BP). To this end, we concentrated on the disordered electronic density of states (DOS), which gives useful information for electro-optical devices. Increasing the impurity concentration in both unbiased and biased impurity-infected single-layer BP, in addition to the decrease of the band gap, independent of the direction, leads to the midgap states and an extra Van Hove singularity inside and outside of the band gap, respectively. Furthermore, strong impurity scattering potentials lead to a semiconductor-semimetal transition and one more Van Hove singularity in x-direction of unbiased BP and surprisingly, this transition does not occur in biased BP. We found that there is no phase transition in y-direction. Since real applications require structures with modulated band gaps, we have studied the influence of different bias voltages on the disordered DOS in both directions, resulting in the increase of the band gap.

  20. Van der Waals Epitaxy of Functional Oxide Heterostructures

    NASA Astrophysics Data System (ADS)

    Chu, Ying-Hao

    In the diligent pursuit of low-power consumption, multifunctional, and environmentally friendly electronics, more sophisticated requirements on functional materials are on demand. Recently, the discovery of 2D layered materials has created a revolution to this field. Pioneered by graphene, these new 2D materials exhibit abundant unusual physical phenomena that is undiscovered in bulk forms. These materials are characterized with their layer form and almost pure 2D electronic behavior. The confinement of charge and heat transport at such ultrathin planes offers possibilities to overcome the bottleneck of present device development in thickness limitation, and thus push the technologies into next generation. Van der Waals epitaxy, an epitaxial growth method to combine 2D and 3D materials, is one of current reliable manufacturing processes to fabricate 2D materials by growing these 2D materials epitaxially on 3D materials. Then, transferring the 2D materials to the substrates for practical applications. In the mean time, van der Waals epitaxy has also been used to create free-standing 3D materials by growing 3D materials on 2D materials and then removing them from 2D materials since the interfacial boding between 2D and 3D materials should be weak van der Waals bonds. In this study, we intend to take the same concept, but to integrate a family of functional materials in order to open new avenue to flexible electronics. Due to the interplay of lattice, charge, orbital, and spin degrees of freedom, correlated electrons in oxides generate a rich spectrum of competing phases and physical properties. Recently, lots of studies have suggested that oxide heterostructures provide a powerful route to create and manipulate the degrees of freedom and offer new possibilities for next generation devices, thus create a new playground for researchers to investigate novel physics and the emergence of fascinating states of condensed matter. In this talk, we use a 2D layered material as

  1. Properties of real metallic surfaces: Effects of density functional semilocality and van der Waals nonlocality

    PubMed Central

    Patra, Abhirup; Bates, Jefferson E.; Sun, Jianwei; Perdew, John P.

    2017-01-01

    We have computed the surface energies, work functions, and interlayer surface relaxations of clean (111), (100), and (110) surfaces of Al, Cu, Ru, Rh, Pd, Ag, Pt, and Au. We interpret the surface energy from liquid metal measurements as the mean of the solid-state surface energies over these three lowest-index crystal faces. We compare experimental (and random phase approximation) reference values to those of a family of nonempirical semilocal density functionals, from the basic local density approximation (LDA) to our most advanced general purpose meta-generalized gradient approximation, strongly constrained and appropriately normed (SCAN). The closest agreement is achieved by the simplest density functional LDA, and by the most sophisticated one, SCAN+rVV10 (Vydrov–Van Voorhis 2010). The long-range van der Waals interaction, incorporated through rVV10, increases the surface energies by about 10%, and increases the work functions by about 3%. LDA works for metal surfaces through two known error cancellations. The Perdew–Burke–Ernzerhof generalized gradient approximation tends to underestimate both surface energies (by about 24%) and work functions (by about 4%), yielding the least-accurate results. The amount by which a functional underestimates these surface properties correlates with the extent to which it neglects van der Waals attraction at intermediate and long range. Qualitative arguments are given for the signs of the van der Waals contributions to the surface energy and work function. A standard expression for the work function in Kohn–Sham (KS) theory is shown to be valid in generalized KS theory. Interlayer relaxations from different functionals are in reasonable agreement with one another, and usually with experiment. PMID:29042509

  2. Hall number across a van Hove singularity

    DOE PAGES

    Maharaj, Akash V.; Esterlis, Ilya; Zhang, Yi; ...

    2017-07-24

    In this paper, in the context of the relaxation time approximation to Boltzmann transport theory, we examine the behavior of the Hall number n H of a metal in the neighborhood of a Lifshitz transition from a closed Fermi surface to open sheets. We find a universal nonanalytic dependence of n H on the electron density in the high-field limit, but a nonsingular dependence at low fields. Finally, the existence of an assumed nematic transition produces a doping dependent n H similar to that observed in recent experiments in the high-temperature superconductor YBa 2Cu 3O 7-x.

  3. Presence of the vancomycin resistance gene cluster vanC1, vanXYc, and vanT in Enterococcus casseliflavus.

    PubMed

    Hölzel, Christina; Bauer, Johann; Stegherr, Eva-Maria; Schwaiger, Karin

    2014-04-01

    The three chromosomally located clustered genes vanC1, vanXYc, and vanT confer intrinsic resistance to vancomycin and are used for species identification of Enterococcus gallinarum. In this study, 28 strains belonging to the E. gallinarum/casseliflavus group isolated from cloacal swabs from laying hens were screened for the presence of vanC1. As confirmed by species-specific multiplex PCR, 11 vanC1-positive strains were identified as E. gallinarum. Surprisingly, one yellow pigmented strain, verified as E. casseliflavus by species-specific multiplex PCR, was also vanC1 positive; vanXYc and vanT were additionally detectable in this strain. To our knowledge, this is the first report of vanC1, vanXYc, and vanT in E. casseliflavus. The minimum inhibitory concentration of vancomycin was 4 mg/L. Real-time reverse transcription-PCR revealed that none of the clustered genes was expressed in this strain. Even if the genes seem not to be active, there is a certain risk that they will be transferred to other bacteria where they might be functionally expressed. Therefore, it may be advisable to expand the search for vanC1, vanXYc, and vanT from E. gallinarum to other (enterococcal) species. This study confirms that enterococci live up to their name as being reservoir bacteria and should therefore always be closely monitored.

  4. Structural and Functional Adaptation of Vancomycin Resistance VanT Serine Racemases.

    PubMed

    Meziane-Cherif, Djalal; Stogios, Peter J; Evdokimova, Elena; Egorova, Olga; Savchenko, Alexei; Courvalin, Patrice

    2015-08-11

    Vancomycin resistance in Gram-positive bacteria results from the replacement of the D-alanyl-D-alanine target of peptidoglycan precursors with D-alanyl-D-lactate or D-alanyl-D-serine (D-Ala-D-Ser), to which vancomycin has low binding affinity. VanT is one of the proteins required for the production of D-Ala-D-Ser-terminating precursors by converting L-Ser to D-Ser. VanT is composed of two domains, an N-terminal membrane-bound domain, likely involved in L-Ser uptake, and a C-terminal cytoplasmic catalytic domain which is related to bacterial alanine racemases. To gain insight into the molecular function of VanT, the crystal structure of the catalytic domain of VanTG from VanG-type resistant Enterococcus faecalis BM4518 was determined. The structure showed significant similarity to type III pyridoxal 5'-phosphate (PLP)-dependent alanine racemases, which are essential for peptidoglycan synthesis. Comparative structural analysis between VanTG and alanine racemases as well as site-directed mutagenesis identified three specific active site positions centered around Asn696 which are responsible for the L-amino acid specificity. This analysis also suggested that VanT racemases evolved from regular alanine racemases by acquiring additional selectivity toward serine while preserving that for alanine. The 4-fold-lower relative catalytic efficiency of VanTG against L-Ser versus L-Ala implied that this enzyme relies on its membrane-bound domain for L-Ser transport to increase the overall rate of d-Ser production. These findings illustrate how vancomycin pressure selected for molecular adaptation of a housekeeping enzyme to a bifunctional enzyme to allow for peptidoglycan remodeling, a strategy increasingly observed in antibiotic-resistant bacteria. Vancomycin is one of the drugs of last resort against Gram-positive antibiotic-resistant pathogens. However, bacteria have evolved a sophisticated mechanism which remodels the drug target, the D-alanine ending precursors in cell wall

  5. A Scalable Implementation of Van der Waals Density Functionals

    NASA Astrophysics Data System (ADS)

    Wu, Jun; Gygi, Francois

    2010-03-01

    Recently developed Van der Waals density functionals[1] offer the promise to account for weak intermolecular interactions that are not described accurately by local exchange-correlation density functionals. In spite of recent progress [2], the computational cost of such calculations remains high. We present a scalable parallel implementation of the functional proposed by Dion et al.[1]. The method is implemented in the Qbox first-principles simulation code (http://eslab.ucdavis.edu/software/qbox). Application to large molecular systems will be presented. [4pt] [1] M. Dion et al. Phys. Rev. Lett. 92, 246401 (2004).[0pt] [2] G. Roman-Perez and J. M. Soler, Phys. Rev. Lett. 103, 096102 (2009).

  6. Electronic structure and energetics of the tetragonal distortion for TiH2, ZrH2 and HfH2: a first principles study

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Quijano, Ramiro; DeCoss, Romeo; Singh, David J

    2009-01-01

    The electronic structure and energetics of the tetragonal distortion for the fluorite-type dihydrides TiH{sub 2}, ZrH{sub 2}, and HfH{sub 2} are studied by means of highly accurate first-principles total-energy calculations. For HfH{sub 2}, in addition to the calculations using the scalar relativistic (SR) approximation, calculations including the spin-orbit coupling have also been performed. The results show that TiH{sub 2}, ZrH{sub 2}, and HfH{sub 2} in the cubic phase are unstable against tetragonal strain. For the three systems, the total energy shows two minima as a function of the c/a ratio with the lowest-energy minimum at c/a < 1 in agreementmore » with the experimental observations. The band structure of TiH{sub 2}, ZrH{sub 2}, and HfH{sub 2} (SR) around the Fermi level shows two common features along the two major symmetry directions of the Brillouin zone, {Lambda}?L and {Lambda}?K, a nearly flat doubly degenerate band, and a van Hove singularity, respectively. In cubic HfH{sub 2} the spin-orbit coupling lifts the degeneracy of the partially filled bands in the {Lambda}?L path, while the van Hove singularity in the {Lambda}?K path remains unchanged. The density of states of the three systems in the cubic phase shows a sharp peak at the Fermi level. We found that the tetragonal distortion produces a strong reduction in the density of states at the Fermi level resulting mainly from the splitting of the doubly-degenerate bands in the {Lambda}?L direction and the shift of the van Hove singularity to above the Fermi level. The validity of the Jahn-Teller model in explaining the tetragonal distortion in this group of dihydrides is discussed.« less

  7. Algebraic Theory of Crystal Vibrations: Localization Properties of Wave Functions in Two-Dimensional Lattices

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Dietz, Barbara; Iachello, Francesco; Macek, Michal

    The localization properties of the wave functions of vibrations in two-dimensional (2D) crystals are studied numerically for square and hexagonal lattices within the framework of an algebraic model. The wave functions of 2D lattices have remarkable localization properties, especially at the van Hove singularities (vHs). Finite-size sheets with a hexagonal lattice (graphene-like materials), in addition, exhibit at zero energy a localization of the wave functions at zigzag edges, so-called edge states. The striped structure of the wave functions at a vHs is particularly noteworthy. We have investigated its stability and that of the edge states with respect to perturbations inmore » the lattice structure, and the effect of the boundary shape on the localization properties. We find that the stripes disappear instantaneously at the vHs in a square lattice when turning on the perturbation, whereas they broaden but persist at the vHss in a hexagonal lattice. For one of them, they eventually merge into edge states with increasing coupling, which, in contrast to the zero-energy edge states, are localized at armchair edges. The results are corroborated based on participation ratios, obtained under various conditions.« less

  8. Algebraic Theory of Crystal Vibrations: Localization Properties of Wave Functions in Two-Dimensional Lattices

    DOE PAGES

    Dietz, Barbara; Iachello, Francesco; Macek, Michal

    2017-08-07

    The localization properties of the wave functions of vibrations in two-dimensional (2D) crystals are studied numerically for square and hexagonal lattices within the framework of an algebraic model. The wave functions of 2D lattices have remarkable localization properties, especially at the van Hove singularities (vHs). Finite-size sheets with a hexagonal lattice (graphene-like materials), in addition, exhibit at zero energy a localization of the wave functions at zigzag edges, so-called edge states. The striped structure of the wave functions at a vHs is particularly noteworthy. We have investigated its stability and that of the edge states with respect to perturbations inmore » the lattice structure, and the effect of the boundary shape on the localization properties. We find that the stripes disappear instantaneously at the vHs in a square lattice when turning on the perturbation, whereas they broaden but persist at the vHss in a hexagonal lattice. For one of them, they eventually merge into edge states with increasing coupling, which, in contrast to the zero-energy edge states, are localized at armchair edges. The results are corroborated based on participation ratios, obtained under various conditions.« less

  9. Liquid Dynamics from Neutron Spectrometry

    DOE R&D Accomplishments Database

    Brockhouse, Bertram N.; Bergsma, J.; Dasannacharya, B. A.; Pope, N. K.

    1962-10-01

    Recent experiments carried out at Chalk River on the dynamics of liquids using neutron inelastic scattering are reviewed, including one by Sakamoto et al., in which the Van Hove self-correlation functions in water at 25 and 75 deg C were determined, and another in which the correlation functions in liquid argon near its triple point were studied. The possible occurrence of short wavelength phonons in classical liquids is discussed, in analogy with their existence in the quantum liquid He4, and in connection with incomplete experiments on liquid tin. (auth)

  10. Li intercalation in graphite: A van der Waals density-functional study

    NASA Astrophysics Data System (ADS)

    Hazrati, E.; de Wijs, G. A.; Brocks, G.

    2014-10-01

    Modeling layered intercalation compounds from first principles poses a problem, as many of their properties are determined by a subtle balance between van der Waals interactions and chemical or Madelung terms, and a good description of van der Waals interactions is often lacking. Using van der Waals density functionals we study the structures, phonons and energetics of the archetype layered intercalation compound Li-graphite. Intercalation of Li in graphite leads to stable systems with calculated intercalation energies of -0.2 to -0.3 eV/Li atom, (referred to bulk graphite and Li metal). The fully loaded stage 1 and stage 2 compounds LiC6 and Li1 /2C6 are stable, corresponding to two-dimensional √{3 }×√{3 } lattices of Li atoms intercalated between two graphene planes. Stage N >2 structures are unstable compared to dilute stage 2 compounds with the same concentration. At elevated temperatures dilute stage 2 compounds easily become disordered, but the structure of Li3 /16C6 is relatively stable, corresponding to a √{7 }×√{7 } in-plane packing of Li atoms. First-principles calculations, along with a Bethe-Peierls model of finite temperature effects, allow for a microscopic description of the observed voltage profiles.

  11. Mobile Telemetry Van Remote Control Upgrade

    DTIC Science & Technology

    2012-05-17

    Advantages of Remote Control System Upgrade • Summary Overview • Remote control of Telemetry Mobile Ground Support ( TMGS ) Van proposed to allow...NWC) personnel provided valuable data for full-function remote control of telemetry tracking vans Background • TMGS Vans support Flight Test...control capability from main TM site at Building 5790 currently allows support via TMGS Van at nearby C- 15 Site, Plant 42 in Palmdale, and as far

  12. A simplified implementation of van der Waals density functionals for first-principles molecular dynamics applications

    NASA Astrophysics Data System (ADS)

    Wu, Jun; Gygi, François

    2012-06-01

    We present a simplified implementation of the non-local van der Waals correlation functional introduced by Dion et al. [Phys. Rev. Lett. 92, 246401 (2004)] and reformulated by Román-Pérez et al. [Phys. Rev. Lett. 103, 096102 (2009)]. The proposed numerical approach removes the logarithmic singularity of the kernel function. Complete expressions of the self-consistent correlation potential and of the stress tensor are given. Combined with various choices of exchange functionals, five versions of van der Waals density functionals are implemented. Applications to the computation of the interaction energy of the benzene-water complex and to the computation of the equilibrium cell parameters of the benzene crystal are presented. As an example of crystal structure calculation involving a mixture of hydrogen bonding and dispersion interactions, we compute the equilibrium structure of two polymorphs of aspirin (2-acetoxybenzoic acid, C9H8O4) in the P21/c monoclinic structure.

  13. Anomalous symmetry breaking in classical two-dimensional diffusion of coherent atoms

    NASA Astrophysics Data System (ADS)

    Pugatch, Rami; Bhattacharyya, Dipankar; Amir, Ariel; Sagi, Yoav; Davidson, Nir

    2014-03-01

    The electromagnetically induced transparency (EIT) spectrum of atoms diffusing in and out of a narrow beam is measured and shown to manifest the two-dimensional δ-function anomaly in a classical setting. In the limit of small-area beams, the EIT line shape is independent of power, and equal to the renormalized local density of states of a free particle Hamiltonian. The measured spectra for different powers and beam sizes collapses to a single universal curve with a characteristic logarithmic Van Hove singularity close to resonance.

  14. Hermite Functional Link Neural Network for Solving the Van der Pol-Duffing Oscillator Equation.

    PubMed

    Mall, Susmita; Chakraverty, S

    2016-08-01

    Hermite polynomial-based functional link artificial neural network (FLANN) is proposed here to solve the Van der Pol-Duffing oscillator equation. A single-layer hermite neural network (HeNN) model is used, where a hidden layer is replaced by expansion block of input pattern using Hermite orthogonal polynomials. A feedforward neural network model with the unsupervised error backpropagation principle is used for modifying the network parameters and minimizing the computed error function. The Van der Pol-Duffing and Duffing oscillator equations may not be solved exactly. Here, approximate solutions of these types of equations have been obtained by applying the HeNN model for the first time. Three mathematical example problems and two real-life application problems of Van der Pol-Duffing oscillator equation, extracting the features of early mechanical failure signal and weak signal detection problems, are solved using the proposed HeNN method. HeNN approximate solutions have been compared with results obtained by the well known Runge-Kutta method. Computed results are depicted in term of graphs. After training the HeNN model, we may use it as a black box to get numerical results at any arbitrary point in the domain. Thus, the proposed HeNN method is efficient. The results reveal that this method is reliable and can be applied to other nonlinear problems too.

  15. Molecular adsorption on metal surfaces with van der Waals density functionals

    NASA Astrophysics Data System (ADS)

    Li, Guo; Tamblyn, Isaac; Cooper, Valentino R.; Gao, Hong-Jun; Neaton, Jeffrey B.

    2012-03-01

    The adsorption of 1,4-benzenediamine (BDA) on Au(111) and azobenzene on Ag(111) is investigated using density functional theory (DFT) with the nonlocal van der Waals density functional (vdW-DF) and the semilocal Perdew-Burke-Ernzerhof functional. For BDA on Au(111), the inclusion of London dispersion interactions not only dramatically enhances the molecule-substrate binding, resulting in adsorption energies consistent with experimental results, but also significantly alters the BDA binding geometry. For azobenzene on Ag(111), vdW-DFs produce superior adsorption energies compared to those obtained with other dispersion-corrected DFT approaches. These results provide evidence for the applicability of the vdW-DF approach and serve as practical benchmarks for the investigation of molecules adsorbed on noble-metal surfaces.

  16. Binding and Diffusion of Lithium in Graphite: Quantum Monte Carlo Benchmarks and Validation of van der Waals Density Functional Methods

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Ganesh, P.; Kim, Jeongnim; Park, Changwon

    2014-11-03

    In highly accurate diffusion quantum Monte Carlo (QMC) studies of the adsorption and diffusion of atomic lithium in AA-stacked graphite are compared with van der Waals-including density functional theory (DFT) calculations. Predicted QMC lattice constants for pure AA graphite agree with experiment. Pure AA-stacked graphite is shown to challenge many van der Waals methods even when they are accurate for conventional AB graphite. Moreover, the highest overall DFT accuracy, considering pure AA-stacked graphite as well as lithium binding and diffusion, is obtained by the self-consistent van der Waals functional vdW-DF2, although errors in binding energies remain. Empirical approaches based onmore » point charges such as DFT-D are inaccurate unless the local charge transfer is assessed. Our results demonstrate that the lithium carbon system requires a simultaneous highly accurate description of both charge transfer and van der Waals interactions, favoring self-consistent approaches.« less

  17. van der Waals forces in density functional theory: a review of the vdW-DF method.

    PubMed

    Berland, Kristian; Cooper, Valentino R; Lee, Kyuho; Schröder, Elsebeth; Thonhauser, T; Hyldgaard, Per; Lundqvist, Bengt I

    2015-06-01

    A density functional theory (DFT) that accounts for van der Waals (vdW) interactions in condensed matter, materials physics, chemistry, and biology is reviewed. The insights that led to the construction of the Rutgers-Chalmers van der Waals density functional (vdW-DF) are presented with the aim of giving a historical perspective, while also emphasizing more recent efforts which have sought to improve its accuracy. In addition to technical details, we discuss a range of recent applications that illustrate the necessity of including dispersion interactions in DFT. This review highlights the value of the vdW-DF method as a general-purpose method, not only for dispersion bound systems, but also in densely packed systems where these types of interactions are traditionally thought to be negligible.

  18. Versatile van der Waals Density Functional Based on a Meta-Generalized Gradient Approximation

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Peng, Haowei; Yang, Zeng-Hui; Perdew, John P.

    A “best-of-both-worlds” van der Waals (vdW) density functional is constructed, seamlessly supplementing the strongly constrained and appropriately normed (SCAN) meta-generalized gradient approximation for short- and intermediate-range interactions with the long-range vdW interaction from r VV 10 , the revised Vydrov–van Voorhis nonlocal correlation functional. The resultant SCAN + r VV 10 is the only vdW density functional to date that yields excellent interlayer binding energies and spacings, as well as intralayer lattice constants in 28 layered materials. Its versatility for various kinds of bonding is further demonstrated by its good performance for 22 interactions between molecules; the cohesive energies andmore » lattice constants of 50 solids; the adsorption energy and distance of a benzene molecule on coinage-metal surfaces; the binding energy curves for graphene on Cu(111), Ni(111), and Co(0001) surfaces; and the rare-gas solids. We argue that a good semilocal approximation should (as SCAN does) capture the intermediate-range vdW through its exchange term. We have found an effective range of the vdW interaction between 8 and 16 Å for systems considered here, suggesting that this interaction is negligibly small at the larger distances where it reaches its asymptotic power-law decay.« less

  19. Versatile van der Waals Density Functional Based on a Meta-Generalized Gradient Approximation

    DOE PAGES

    Peng, Haowei; Yang, Zeng-Hui; Perdew, John P.; ...

    2016-10-12

    A “best-of-both-worlds” van der Waals (vdW) density functional is constructed, seamlessly supplementing the strongly constrained and appropriately normed (SCAN) meta-generalized gradient approximation for short- and intermediate-range interactions with the long-range vdW interaction from r VV 10 , the revised Vydrov–van Voorhis nonlocal correlation functional. The resultant SCAN + r VV 10 is the only vdW density functional to date that yields excellent interlayer binding energies and spacings, as well as intralayer lattice constants in 28 layered materials. Its versatility for various kinds of bonding is further demonstrated by its good performance for 22 interactions between molecules; the cohesive energies andmore » lattice constants of 50 solids; the adsorption energy and distance of a benzene molecule on coinage-metal surfaces; the binding energy curves for graphene on Cu(111), Ni(111), and Co(0001) surfaces; and the rare-gas solids. We argue that a good semilocal approximation should (as SCAN does) capture the intermediate-range vdW through its exchange term. We have found an effective range of the vdW interaction between 8 and 16 Å for systems considered here, suggesting that this interaction is negligibly small at the larger distances where it reaches its asymptotic power-law decay.« less

  20. van der Waals forces in density functional theory: a review of the vdW-DF method

    DOE PAGES

    Berland, Kristian; Cooper, Valentino R.; Lee, Kyuho; ...

    2015-05-15

    We review a density functional theory (DFT) that accounts for van der Waals (vdW) interactions in condensed matter, materials physics, chemistry, and biology. The insights that led to the construction of the Rutgers–Chalmers van der Waals density functional (vdW-DF) are presented with the aim of giving a historical perspective, while also emphasizing more recent efforts which have sought to improve its accuracy. In addition to technical details, we discuss a range of recent applications that illustrate the necessity of including dispersion interactions in DFT. This review highlights the value of the vdW-DF method as a general-purpose method, not only formore » dispersion bound systems, but also in densely packed systems where these types of interactions are traditionally thought to be negligible.« less

  1. Phonons in two-dimensional soft colloidal crystals.

    PubMed

    Chen, Ke; Still, Tim; Schoenholz, Samuel; Aptowicz, Kevin B; Schindler, Michael; Maggs, A C; Liu, Andrea J; Yodh, A G

    2013-08-01

    The vibrational modes of pristine and polycrystalline monolayer colloidal crystals composed of thermosensitive microgel particles are measured using video microscopy and covariance matrix analysis. At low frequencies, the Debye relation for two-dimensional harmonic crystals is observed in both crystal types; at higher frequencies, evidence for van Hove singularities in the phonon density of states is significantly smeared out by experimental noise and measurement statistics. The effects of these errors are analyzed using numerical simulations. We introduce methods to correct for these limitations, which can be applied to disordered systems as well as crystalline ones, and we show that application of the error correction procedure to the experimental data leads to more pronounced van Hove singularities in the pristine crystal. Finally, quasilocalized low-frequency modes in polycrystalline two-dimensional colloidal crystals are identified and demonstrated to correlate with structural defects such as dislocations, suggesting that quasilocalized low-frequency phonon modes may be used to identify local regions vulnerable to rearrangements in crystalline as well as amorphous solids.

  2. The Dramatic Methods of Hans van Dam.

    ERIC Educational Resources Information Center

    van de Water, Manon

    1994-01-01

    Interprets for the American reader the untranslated dramatic methods of Hans van Dam, a leading drama theorist in the Netherlands. Discusses the functions of drama as a method, closed dramatic methods, open dramatic methods, and applying van Dam's methods. (SR)

  3. Large-amplitude jumps and non-Gaussian dynamics in highly concentrated hard sphere fluids.

    PubMed

    Saltzman, Erica J; Schweizer, Kenneth S

    2008-05-01

    Our microscopic stochastic nonlinear Langevin equation theory of activated dynamics has been employed to study the real-space van Hove function of dense hard sphere fluids and suspensions. At very short times, the van Hove function is a narrow Gaussian. At sufficiently high volume fractions, such that the entropic barrier to relaxation is greater than the thermal energy, its functional form evolves with time to include a rapidly decaying component at small displacements and a long-range exponential tail. The "jump" or decay length scale associated with the tail increases with time (or particle root-mean-square displacement) at fixed volume fraction, and with volume fraction at the mean alpha relaxation time. The jump length at the alpha relaxation time is predicted to be proportional to a measure of the decoupling of self-diffusion and structural relaxation. At long times corresponding to mean displacements of order a particle diameter, the volume fraction dependence of the decay length disappears. A good superposition of the exponential tail feature based on the jump length as a scaling variable is predicted at high volume fractions. Overall, the theoretical results are in good accord with recent simulations and experiments. The basic aspects of the theory are also compared with a classic jump model and a dynamically facilitated continuous time random-walk model. Decoupling of the time scales of different parts of the relaxation process predicted by the theory is qualitatively similar to facilitated dynamics models based on the concept of persistence and exchange times if the elementary event is assumed to be associated with transport on a length scale significantly smaller than the particle size.

  4. Diversity of Tn1546 in vanA-positive Enterococcus faecium clinical isolates with VanA, VanB, and VanD phenotypes and susceptibility to vancomycin.

    PubMed

    Cha, J O; Yoo, J I; Kim, H K; Kim, H S; Yoo, J S; Lee, Y S; Jung, Y H

    2013-10-01

    To investigate diversity in the vanA cluster in Enterococcus faecium isolates from nontertiary hospitals. We identified 43 vanA-positive Ent. faecium isolates, including two vancomycin-susceptible isolates, from hospitals between 2003 and 2006. Of these isolates, >85% were resistant to ampicillin, erythromycin and ciprofloxacin. The vanA cluster was classified into six types using overlapping PCR, but the prototype transposon Tn1546 was not found. Most vanA-positive vancomycin-resistant Enterococcus (VRE) carried IS1216V and belonged to Type III (58·1%) or Type II (20·9%). vanY, vanZ and IS1216V were observed in the left and right ends of Type III with long-range PCR. IS1216V was also observed within vanS and vanX in the two vancomycin-susceptible isolates and in two vancomycin-resistant isolates. No VRE isolates with VanB and VanD phenotypes contained point mutations in vanS, unlike in previous reports. Sequence types (STs) of all isolates belonged to clonal complex 17, and ST78 was predominant. Insertion sequences, especially IS1216V, cause structural variation in the vanA cluster. We report the first observation of vanY and vanZ at the left end of Tn1546 in clinical isolates. This is the first report of the frequency of vancomycin resistance and diversity of Tn1546 in vanA-positive Ent. faecium isolates from nontertiary hospitals. © 2013 The Society for Applied Microbiology.

  5. Brownian systems with spatially inhomogeneous activity

    NASA Astrophysics Data System (ADS)

    Sharma, A.; Brader, J. M.

    2017-09-01

    We generalize the Green-Kubo approach, previously applied to bulk systems of spherically symmetric active particles [J. Chem. Phys. 145, 161101 (2016), 10.1063/1.4966153], to include spatially inhomogeneous activity. The method is applied to predict the spatial dependence of the average orientation per particle and the density. The average orientation is given by an integral over the self part of the Van Hove function and a simple Gaussian approximation to this quantity yields an accurate analytical expression. Taking this analytical result as input to a dynamic density functional theory approximates the spatial dependence of the density in good agreement with simulation data. All theoretical predictions are validated using Brownian dynamics simulations.

  6. Unconventional topological Hall effect in skyrmion crystals caused by the topology of the lattice

    NASA Astrophysics Data System (ADS)

    Göbel, Börge; Mook, Alexander; Henk, Jürgen; Mertig, Ingrid

    2017-03-01

    The hallmark of a skyrmion crystal (SkX) is the topological Hall effect (THE). In this article we predict and explain an unconventional behavior of the topological Hall conductivity in SkXs. In simple terms, the spin texture of the skyrmions causes an inhomogeneous emergent magnetic field whose associated Lorentz force acts on the electrons. By making the emergent field homogeneous, the THE is mapped onto the quantum Hall effect (QHE). Consequently, each electronic band of the SkX is assigned to a Landau level. This correspondence of THE and QHE allows us to explain the unconventional behavior of the THE of electrons in SkXs. For example, a skyrmion crystal on a triangular lattice exhibits a quantized topological Hall conductivity with steps of 2 .e2/h below and with steps of 1 .e2/h above the van Hove singularity. On top of this, the conductivity shows a prominent sign change at the van Hove singularity. These unconventional features are deeply connected to the topology of the structural lattice.

  7. Scaling laws for van der Waals interactions in nanostructured materials.

    PubMed

    Gobre, Vivekanand V; Tkatchenko, Alexandre

    2013-01-01

    Van der Waals interactions have a fundamental role in biology, physics and chemistry, in particular in the self-assembly and the ensuing function of nanostructured materials. Here we utilize an efficient microscopic method to demonstrate that van der Waals interactions in nanomaterials act at distances greater than typically assumed, and can be characterized by different scaling laws depending on the dimensionality and size of the system. Specifically, we study the behaviour of van der Waals interactions in single-layer and multilayer graphene, fullerenes of varying size, single-wall carbon nanotubes and graphene nanoribbons. As a function of nanostructure size, the van der Waals coefficients follow unusual trends for all of the considered systems, and deviate significantly from the conventionally employed pairwise-additive picture. We propose that the peculiar van der Waals interactions in nanostructured materials could be exploited to control their self-assembly.

  8. FDE-vdW: A van der Waals inclusive subsystem density-functional theory.

    PubMed

    Kevorkyants, Ruslan; Eshuis, Henk; Pavanello, Michele

    2014-07-28

    We present a formally exact van der Waals inclusive electronic structure theory, called FDE-vdW, based on the Frozen Density Embedding formulation of subsystem Density-Functional Theory. In subsystem DFT, the energy functional is composed of subsystem additive and non-additive terms. We show that an appropriate definition of the long-range correlation energy is given by the value of the non-additive correlation functional. This functional is evaluated using the fluctuation-dissipation theorem aided by a formally exact decomposition of the response functions into subsystem contributions. FDE-vdW is derived in detail and several approximate schemes are proposed, which lead to practical implementations of the method. We show that FDE-vdW is Casimir-Polder consistent, i.e., it reduces to the generalized Casimir-Polder formula for asymptotic inter-subsystems separations. Pilot calculations of binding energies of 13 weakly bound complexes singled out from the S22 set show a dramatic improvement upon semilocal subsystem DFT, provided that an appropriate exchange functional is employed. The convergence of FDE-vdW with basis set size is discussed, as well as its dependence on the choice of associated density functional approximant.

  9. FDE-vdW: A van der Waals inclusive subsystem density-functional theory

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kevorkyants, Ruslan; Pavanello, Michele, E-mail: m.pavanello@rutgers.edu; Eshuis, Henk

    2014-07-28

    We present a formally exact van der Waals inclusive electronic structure theory, called FDE-vdW, based on the Frozen Density Embedding formulation of subsystem Density-Functional Theory. In subsystem DFT, the energy functional is composed of subsystem additive and non-additive terms. We show that an appropriate definition of the long-range correlation energy is given by the value of the non-additive correlation functional. This functional is evaluated using the fluctuation–dissipation theorem aided by a formally exact decomposition of the response functions into subsystem contributions. FDE-vdW is derived in detail and several approximate schemes are proposed, which lead to practical implementations of the method.more » We show that FDE-vdW is Casimir-Polder consistent, i.e., it reduces to the generalized Casimir-Polder formula for asymptotic inter-subsystems separations. Pilot calculations of binding energies of 13 weakly bound complexes singled out from the S22 set show a dramatic improvement upon semilocal subsystem DFT, provided that an appropriate exchange functional is employed. The convergence of FDE-vdW with basis set size is discussed, as well as its dependence on the choice of associated density functional approximant.« less

  10. Ceremony 25th birthday Cern

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    None

    2006-05-08

    Célébration du 25ème anniversaire du Cern (jour par jour) avec discours de L.Van Hove et J.B.Adams, des interludes musicals offerts par Mme Mey et ses collègues (au debut 1.mouvement du quatuor avec piano no 3 de L.van Beethoven) Les directeurs généraux procéderont à la remise du souvenir aux membres de personnel ayant 25 années de service dans l'organisation. Un témoignage de reconnaissance est auss fait à l'interprète Mme Zwerner

  11. Hydrogen diffusion in liquid aluminum from ab initio molecular dynamics

    NASA Astrophysics Data System (ADS)

    Jakse, N.; Pasturel, A.

    2014-05-01

    Ab initio molecular dynamics simulations are used to describe the diffusion of hydrogen in liquid aluminum at different temperatures. Quasi-instantaneous jumps separating periods of localized vibrations around a mean position are found to characterize the hydrogen motion at the microscopic scale. The hydrogen motion is furthermore analyzed using the van Hove function. We highlight a non-Fickian behavior for the hydrogen diffusion due to a large spatial distribution of hydrogen jumps. We show that a generalized continuous time random walk (CTRW) model describes the experimental diffusion coefficients in a satisfactory manner. Finally, the impact of impurities and alloying elements on hydrogen diffusion in aluminum is discussed.

  12. Ab-initio adsorption study of chitosan on functionalized graphene: critical role of van der Waals interactions.

    PubMed

    Rahman, R; Mazumdar, D

    2012-03-01

    We investigate the adsorption process of an organic biomolecule (chitosan) on epoxy-functionalized graphene using ab-initio density functional methods incorporating van-der-waals (vdW) interactions. The role of London dispersion force on the cohesive energy and conformal preference of the molecule is quantitatively elucidated. Functionalizing graphene with epoxy leads to weak hydrogen-bond interactions with chitosan. Binding energy values increase by over an order of magnitude after including vdW corrections, implying that dispersive interactions dominate the physisorption process. Conformal study show binding upto 30 kcal/mol when the molecule is oriented with the hydroxyl group approaching the functionalized graphene. Our study advances the promise of functionalized graphene for a variety of applications.

  13. vanC Cluster of Vancomycin-Resistant Enterococcus gallinarum BM4174

    PubMed Central

    Arias, Cesar A.; Courvalin, Patrice; Reynolds, Peter E.

    2000-01-01

    Glycopeptide-resistant enterococci of the VanC type synthesize UDP-muramyl-pentapeptide[d-Ser] for cell wall assembly and prevent synthesis of peptidoglycan precursors ending in d-Ala. The vanC cluster of Enterococcus gallinarum BM4174 consists of five genes: vanC-1, vanXYC, vanT, vanRC, and vanSC. Three genes are sufficient for resistance: vanC-1 encodes a ligase that synthesizes the dipeptide d-Ala-d-Ser for addition to UDP-MurNAc-tripeptide, vanXYC encodes a d,d-dipeptidase–carboxypeptidase that hydrolyzes d-Ala-d-Ala and removes d-Ala from UDP-MurNAc-pentapeptide[d-Ala], and vanT encodes a membrane-bound serine racemase that provides d-Ser for the synthetic pathway. The three genes are clustered: the start codons of vanXYC and vanT overlap the termination codons of vanC-1 and vanXYC, respectively. Two genes which encode proteins with homology to the VanS-VanR two-component regulatory system were present downstream from the resistance genes. The predicted amino acid sequence of VanRC exhibited 50% identity to VanR and 33% identity to VanRB. VanSC had 40% identity to VanS over a region of 308 amino acids and 24% identity to VanSB over a region of 285 amino acids. All residues with important functions in response regulators and histidine kinases were conserved in VanRC and VanSC, respectively. Induction experiments based on the determination of d,d-carboxypeptidase activity in cytoplasmic extracts confirmed that the genes were expressed constitutively. Using a promoter-probing vector, regions upstream from the resistance and regulatory genes were identified that have promoter activity. PMID:10817725

  14. Conference Salam/Musset

    ScienceCinema

    None

    2018-05-25

    The DG L. Van Hove introduces Professor A. Salam, born in 1926 in western Pakistan,one of the winners of the Nobel Prize in Physics this year. This is a celebration of his theoretical contributions which are known about worldwide. After each speech, one small history is presented by Paul Musset. Honorable mention is also given to the Gargamelle experiment and its collaborators.

  15. Ceremony 25th birthday Cern

    ScienceCinema

    None

    2018-05-18

    Celebration of CERN's 25th birthday with a speech by L. Van Hove and J.B. Adams, musical interludes by Ms. Mey and her colleagues (starting with Beethoven). The general managers then proceed with the presentation of souvenirs to members of the personnel who have 25 years of service in the organization. A gesture of recognition is also given to Zwerner.

  16. Compact two-electron wave function for bond dissociation and Van der Waals interactions: a natural amplitude assessment.

    PubMed

    Giesbertz, Klaas J H; van Leeuwen, Robert

    2014-05-14

    Electron correlations in molecules can be divided in short range dynamical correlations, long range Van der Waals type interactions, and near degeneracy static correlations. In this work, we analyze for a one-dimensional model of a two-electron system how these three types of correlations can be incorporated in a simple wave function of restricted functional form consisting of an orbital product multiplied by a single correlation function f (r12) depending on the interelectronic distance r12. Since the three types of correlations mentioned lead to different signatures in terms of the natural orbital (NO) amplitudes in two-electron systems, we make an analysis of the wave function in terms of the NO amplitudes for a model system of a diatomic molecule. In our numerical implementation, we fully optimize the orbitals and the correlation function on a spatial grid without restrictions on their functional form. Due to this particular form of the wave function, we can prove that none of the amplitudes vanishes and moreover that it displays a distinct sign pattern and a series of avoided crossings as a function of the bond distance in agreement with the exact solution. This shows that the wave function ansatz correctly incorporates the long range Van der Waals interactions. We further show that the approximate wave function gives an excellent binding curve and is able to describe static correlations. We show that in order to do this the correlation function f (r12) needs to diverge for large r12 at large internuclear distances while for shorter bond distances it increases as a function of r12 to a maximum value after which it decays exponentially. We further give a physical interpretation of this behavior.

  17. Accurate van der Waals coefficients from density functional theory

    PubMed Central

    Tao, Jianmin; Perdew, John P.; Ruzsinszky, Adrienn

    2012-01-01

    The van der Waals interaction is a weak, long-range correlation, arising from quantum electronic charge fluctuations. This interaction affects many properties of materials. A simple and yet accurate estimate of this effect will facilitate computer simulation of complex molecular materials and drug design. Here we develop a fast approach for accurate evaluation of dynamic multipole polarizabilities and van der Waals (vdW) coefficients of all orders from the electron density and static multipole polarizabilities of each atom or other spherical object, without empirical fitting. Our dynamic polarizabilities (dipole, quadrupole, octupole, etc.) are exact in the zero- and high-frequency limits, and exact at all frequencies for a metallic sphere of uniform density. Our theory predicts dynamic multipole polarizabilities in excellent agreement with more expensive many-body methods, and yields therefrom vdW coefficients C6, C8, C10 for atom pairs with a mean absolute relative error of only 3%. PMID:22205765

  18. Nonlocal van der Waals functionals: The case of rare-gas dimers and solids

    NASA Astrophysics Data System (ADS)

    Tran, Fabien; Hutter, Jürg

    2013-05-01

    Recently, the nonlocal van der Waals (vdW) density functionals [M. Dion, H. Rydberg, E. Schröder, D. C. Langreth, and B. I. Lundqvist, Phys. Rev. Lett. 92, 246401 (2004), 10.1103/PhysRevLett.92.246401] have attracted considerable attention due to their good performance for systems where weak interactions are important. Since the physics of dispersion is included in these functionals, they are usually more accurate and show less erratic behavior than the semilocal and hybrid methods. In this work, several variants of the vdW functionals have been tested on rare-gas dimers (from He2 to Kr2) and solids (Ne, Ar, and Kr) and their accuracy compared to standard semilocal approximations, supplemented or not by an atom-pairwise dispersion correction [S. Grimme, J. Antony, S. Ehrlich, and H. Krieg, J. Chem. Phys. 132, 154104 (2010), 10.1063/1.3382344]. An analysis of the results in terms of energy decomposition is also provided.

  19. Two-point correlation function in systems with van der Waals type interaction

    NASA Astrophysics Data System (ADS)

    Dantchev, D.

    2001-09-01

    The behavior of the bulk two-point correlation function G( r; T| d ) in d-dimensional system with van der Waals type interactions is investigated and its consequences on the finite-size scaling properties of the susceptibility in such finite systems with periodic boundary conditions is discussed within mean-spherical model which is an example of Ornstein and Zernike type theory. The interaction is supposed to decay at large distances r as r - (d + σ), with 2 < d < 4, 2 < σ < 4 and d + σ≤6. It is shown that G( r; T| d ) decays as r - (d - 2) for 1 ≪ r≪ξ, exponentially for ξ≪ r≪ r *, where r * = (σ - 2)ξlnξ, and again in a power law as r - (d + σ) for r≫ r *. The analytical form of the leading-order scaling function of G( r; T| d ) in any of these regimes is derived.

  20. An effective 2-band eg model of sulfur hydride H3S for high-Tc superconductivity

    NASA Astrophysics Data System (ADS)

    Nishiguchi, Kazutaka; Teranishi, Shingo; Miyao, Satoaki; Matsushita, Goh; Kusakabe, Koichi

    To understand high transition temperature (Tc) superconductivity in sulfur hydride H3S, we propose an effective 2-band model having the eg symmetry as the minimal model for H3S. Two eg orbitals centered on a sulfur S atom are chosen for the smallest representation of relevant bands with the van-Hove singularity around the Fermi levels except for the Γ-centered small hole pockets by the sulfur 3 p orbitals. By using the maximally localized Wannier functions, we derive the minimal effective model preserving the body-centered cubic (bcc) crystal symmetry of the H3S phase having the highest Tc ( 203 K under pressures) among the other polymorphs of H3S.

  1. Hydrodynamics of the VanA-type VanS histidine kinase: an extended solution conformation and first evidence for interactions with vancomycin

    PubMed Central

    Phillips-Jones, Mary K.; Channell, Guy; Kelsall, Claire J.; Hughes, Charlotte S.; Ashcroft, Alison E.; Patching, Simon G.; Dinu, Vlad; Gillis, Richard B.; Adams, Gary G.; Harding, Stephen E.

    2017-01-01

    VanA-type resistance to glycopeptide antibiotics in clinical enterococci is regulated by the VanSARA two-component signal transduction system. The nature of the molecular ligand that is recognised by the VanSA sensory component has not hitherto been identified. Here we employ purified, intact and active VanSA membrane protein (henceforth referred to as VanS) in analytical ultracentrifugation experiments to study VanS oligomeric state and conformation in the absence and presence of vancomycin. A combination of sedimentation velocity and sedimentation equilibrium in the analytical ultracentrifuge (SEDFIT, SEDFIT-MSTAR and MULTISIG analysis) showed that VanS in the absence of the ligand is almost entirely monomeric (molar mass M = 45.7 kDa) in dilute aqueous solution with a trace amount of high molar mass material (M ~ 200 kDa). The sedimentation coefficient s suggests the monomer adopts an extended conformation in aqueous solution with an equivalent aspect ratio of ~(12 ± 2). In the presence of vancomycin over a 33% increase in the sedimentation coefficient is observed with the appearance of additional higher s components, demonstrating an interaction, an observation consistent with our circular dichroism measurements. The two possible causes of this increase in s – either a ligand induced dimerization and/or compaction of the monomer are considered. PMID:28397853

  2. Resistive sensitivity functions for van der Pauw astroid and rounded crosses and cloverleafs

    NASA Astrophysics Data System (ADS)

    Koon, Daniel; Hansen, Ole

    2014-03-01

    We have calculated the sensitivity of van der Pauw resistances to local resistive variations for circular, square and astroid discs of infinitesimal thickness, as well as for the families of rounded crosses and cloverleafs, as a function of specimen parameters, using the direct formulas of our recent paper (Koon et al. 2013 J. Appl. Phys.114 163710) applied to ``reciprocally dual geometries'' (swapped Dirichlet and Neumann boundary conditions) described by Mareš et al.(2012 Meas. Sci. Technol. 23 045004). These results show that (a) the product of any such sensitivity function times differential area, and thus (b) the ratio of any two sensitivities, is invariant under conformal mapping, allowing for the pointwise determination of the conformal mapping function. The family of rounded crosses, which is bounded in parameter space by the square, the astroid and an ``infinitesimally thin'' cross, seems to represent the best geometry for focusing transport measurements on the center of the specimen while minimizing errors due to edge- or contact-effects. Made possible by an SLU Faculty research grant.

  3. REMOTE LAND MINE(FIELD) DETECTION. An Overview of Techniques (DETECTIE VAN LANDMIJNEN EN MIJNENVELDEN OP AFSTAND. Een Overzicht van de technieken),

    DTIC Science & Technology

    1994-09-01

    titel DETECTIE VAN LANDMIJNEN EN MIJNENVELDEN OP AFSTAND, een overzicht van de technieken auteur (s) Drs. J.S. Groot, Ir. Y.H.L. Janssen datum september...functions based on set theory . The fundamental theory is developed in the sixties. This theory was applicable to binary images (black-and-white images...held at TNO-FEL. Various subjects related to fusion techniques: Dempster Shafer theory , Bayesian inference, Kalman filtering, fuzzy logic. [A15], [B4

  4. Evaluation of van der Waals density functionals for layered materials

    NASA Astrophysics Data System (ADS)

    Tawfik, Sherif Abdulkader; Gould, Tim; Stampfl, Catherine; Ford, Michael J.

    2018-03-01

    In 2012, Björkman et al. posed the question "Are we van der Waals ready?" [T. Björkman et al., J. Phys.: Condens. Matter 24, 424218 (2012), 10.1088/0953-8984/24/42/424218] about the ability of ab initio modeling to reproduce van der Waals (vdW) dispersion forces in layered materials. The answer at that time was no, however. Here we report on a new generation of vdW dispersion models and show that one, i.e., the fractionally ionic atom theory with many-body dispersions, offers close to quantitative predictions for layered structures. Furthermore, it does so from a qualitatively correct picture of dispersion forces. Other methods, such as D3 and optB88vdW, also work well, albeit with some exceptions. We thus argue that we are nearly vdW ready and that some modern dispersion methods are accurate enough to be used for nanomaterial prediction, albeit with some caution required.

  5. Benchmarking Density Functional Theory Based Methods To Model NiOOH Material Properties: Hubbard and van der Waals Corrections vs Hybrid Functionals.

    PubMed

    Zaffran, Jeremie; Caspary Toroker, Maytal

    2016-08-09

    NiOOH has recently been used to catalyze water oxidation by way of electrochemical water splitting. Few experimental data are available to rationalize the successful catalytic capability of NiOOH. Thus, theory has a distinctive role for studying its properties. However, the unique layered structure of NiOOH is associated with the presence of essential dispersion forces within the lattice. Hence, the choice of an appropriate exchange-correlation functional within Density Functional Theory (DFT) is not straightforward. In this work, we will show that standard DFT is sufficient to evaluate the geometry, but DFT+U and hybrid functionals are required to calculate the oxidation states. Notably, the benefit of DFT with van der Waals correction is marginal. Furthermore, only hybrid functionals succeed in opening a bandgap, and such methods are necessary to study NiOOH electronic structure. In this work, we expect to give guidelines to theoreticians dealing with this material and to present a rational approach in the choice of the DFT method of calculation.

  6. Co-colonization of vanA and vanB Enterococcus faecium of clonal complex 17 in a patient with bacteremia due to vanA E. faecium.

    PubMed

    Seol, Chang Ahn; Park, Jeong Su; Sung, Heungsup; Kim, Mi-Na

    2014-06-01

    A 53-year-old Vietnamese man with liver cirrhosis was transferred from a Vietnamese hospital to our tertiary care hospital in Korea in order to undergo a liver transplantation. Bacteremia due to vanA Enterococcus faecium was diagnosed, and stool surveillance cultures for vancomycin-resistant enterococci (VRE) were positive for both vanA and vanB E. faecium. Pulsed-field gel electrophoresis analysis revealed that the 2 vanA VRE isolates from the blood and stool were clonal, but the vanB VRE was unrelated to the vanA VRE. vanA and vanB VRE were ST64 and ST18, single-allele variations of clonal complex 17, respectively. This is the first case report of vanA VRE bacteremia in a Vietnamese patient and demonstrates the reemergence of vanB VRE since a single outbreak occurred 15years ago in Korea. The reemergence of vanB VRE emphasizes the importance of VRE genotyping to prevent the spread of new VRE strains. Copyright © 2014 Elsevier Inc. All rights reserved.

  7. Enhancement of the thermoelectric efficiency in a T-shaped quantum dot system in the linear and nonlinear regimes

    NASA Astrophysics Data System (ADS)

    Gómez-Silva, G.; Orellana, P. A.; Anda, E. V.

    2018-02-01

    In the present work, we investigate the thermoelectric properties of a T-shaped double quantum dot system coupled to two metallic leads incorporating the intra-dot Coulomb interaction. We explore the role of the interference effects and Coulomb blockade on the thermoelectric efficiency of the system in the linear and nonlinear regimes. We studied as well the effect of a Van-Hove singularity of the leads density of states (DOS) at the neighborhood of the Fermi energy, a situation that can be obtained using a carbon nanotube, a graphene nano-ribbon or other contacts with one-dimensional properties. The system is studied above the Kondo temperature. The Coulomb blockade of the electronic charges is studied using the Hubbard III approximation, which properly describes the transport properties of this regime. In the linear response, our results show an enhancement of the thermopower and the figure of merit of the system. For a nonlinear situation, we calculate the thermoelectric efficiency and power output, concluding that the T-shaped double quantum dot is an efficient thermoelectric device. Moreover, we demonstrate the great importance of the DOS Van-Hove singularity at the neighborhood of the Fermi energy to obtain a very significant increase in the thermoelectric efficiency of the system.

  8. van der Waals torque

    NASA Astrophysics Data System (ADS)

    Esquivel-Sirvent, Raul; Schatz, George

    2014-03-01

    The theory of generalized van der Waals forces by Lifshtz when applied to optically anisotropic media predicts the existence of a torque. In this work we present a theoretical calculation of the van der Waals torque for two systems. First we consider two isotropic parallel plates where the anisotropy is induced using an external magnetic field. The anisotropy will in turn induce a torque. As a case study we consider III-IV semiconductors such as InSb that can support magneto plasmons. The calculations of the torque are done in the Voigt configuration, that occurs when the magnetic field is parallel to the surface of the slabs. The change in the dielectric function as the magnetic field increases has the effect of decreasing the van der Waals force and increasing the torque. Thus, the external magnetic field is used to tune both the force and torque. The second example we present is the use of the torque in the non retarded regime to align arrays of nano particle slabs. The torque is calculated within Barash and Ginzburg formalism in the nonretarded limit, and is quantified by the introduction of a Hamaker torque constant. Calculations are conducted between anisotropic slabs of materials including BaTiO3 and arrays of Ag nano particles. Depending on the shape and arrangement of the Ag nano particles the effective dielectric function of the array can be tuned as to make it more or less anisotropic. We show how this torque can be used in self assembly of arrays of nano particles. ref. R. Esquivel-Sirvent, G. C. Schatz, Phys. Chem C, 117, 5492 (2013). partial support from DGAPA-UNAM.

  9. Application of Van Der Waals Density Functional Theory to Study Physical Properties of Energetic Materials

    NASA Astrophysics Data System (ADS)

    Conroy, M. W.; Budzevich, M. M.; Lin, Y.; Oleynik, I. I.; White, C. T.

    2009-12-01

    An empirical correction to account for van der Waals interactions based on the work of Neumann and Perrin [J. Phys. Chem. B 109, 15531 (2005)] was applied to density functional theory calculations of energetic molecular crystals. The calculated equilibrium unit-cell volumes of FOX-7, β-HMX, solid nitromethane, PETN-I, α-RDX, and TATB show a significant improvement in the agreement with experimental results. Hydrostatic-compression simulations of β-HMX, PETN-I, and α-RDX were also performed. The isothermal equations of state calculated from the results show increased agreement with experiment in the pressure intervals studied.

  10. Atomic Dynamics in Simple Liquid: de Gennes Narrowing Revisited

    NASA Astrophysics Data System (ADS)

    Wu, Bin; Iwashita, Takuya; Egami, Takeshi

    2018-03-01

    The de Gennes narrowing phenomenon is frequently observed by neutron or x -ray scattering measurements of the dynamics of complex systems, such as liquids, proteins, colloids, and polymers. The characteristic slowing down of dynamics in the vicinity of the maximum of the total scattering intensity is commonly attributed to enhanced cooperativity. In this Letter, we present an alternative view on its origin through the examination of the time-dependent pair correlation function, the van Hove correlation function, for a model liquid in two, three, and four dimensions. We find that the relaxation time increases monotonically with distance and the dependence on distance varies with dimension. We propose a heuristic explanation of this dependence based on a simple geometrical model. This finding sheds new light on the interpretation of the de Gennes narrowing phenomenon and the α -relaxation time.

  11. Arnoldus Van Rhijn on aphasia: a forgotten thesis.

    PubMed

    Eling, Paul

    2011-01-01

    Aphasia formed a central topic in the discussion on localization of function in the nineteenth century, in particular in France, Germany and Great Brittain. Little is known on contributions from the Netherlands. This paper aims to discuss the contents of Arnoldus Van Rhijn's dissertation on aphasia, written in 1868 and one of the very few Dutch contributions to aphasiology in the nineteenth century. Added to this paper is a translation of the "Physiological Part" of Van Rhijn's dissertation. Van Rhijn discussed three cases with acquired aphasia. He rejected Broca's notion of a cortical center for the articulation of speech and instead regarded the cortex as the site where the will exerted its influence. He argued that there is a certain form of specialization: the will to say something is localized at a different place than the will to write. According to Van Rhijn, the highest motor centers are localized in the subcortical gray areas. Van Rhijn concluded that aphasia may result from lesions to the cortical centers involved in speaking, or from a disconnection of the cortical and subcortical centers. Very little work was done on aphasia in the 19th century in the Netherlands. Van Rhijn's thesis, from an aphasiological point of view of limited value, does show that the notions of "centers", "connections", and "disorders due to disconnections" were generally known before Wernicke, also in the Netherlands. Copyright © 2011 Elsevier Srl. All rights reserved.

  12. Combining density functional and incremental post-Hartree-Fock approaches for van der Waals dominated adsorbate-surface interactions: Ag{sub 2}/graphene

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Lara-Castells, María Pilar de, E-mail: Pilar.deLara.Castells@csic.es; Mitrushchenkov, Alexander O.; Stoll, Hermann

    2015-09-14

    A combined density functional (DFT) and incremental post-Hartree-Fock (post-HF) approach, proven earlier to calculate He-surface potential energy surfaces [de Lara-Castells et al., J. Chem. Phys. 141, 151102 (2014)], is applied to describe the van der Waals dominated Ag{sub 2}/graphene interaction. It extends the dispersionless density functional theory developed by Pernal et al. [Phys. Rev. Lett. 103, 263201 (2009)] by including periodic boundary conditions while the dispersion is parametrized via the method of increments [H. Stoll, J. Chem. Phys. 97, 8449 (1992)]. Starting with the elementary cluster unit of the target surface (benzene), continuing through the realistic cluster model (coronene), andmore » ending with the periodic model of the extended system, modern ab initio methodologies for intermolecular interactions as well as state-of-the-art van der Waals-corrected density functional-based approaches are put together both to assess the accuracy of the composite scheme and to better characterize the Ag{sub 2}/graphene interaction. The present work illustrates how the combination of DFT and post-HF perspectives may be efficient to design simple and reliable ab initio-based schemes in extended systems for surface science applications.« less

  13. Amino acid substitutions in the VanS sensor of the VanA-type vancomycin-resistant Enterococcus strains result in high-level vancomycin resistance and low-level teicoplanin resistance.

    PubMed

    Hashimoto, Y; Tanimoto, K; Ozawa, Y; Murata, T; Ike, Y

    2000-04-15

    The vancomycin-resistant enterococci GV1, GV2 and GV3, which were isolated from droppings from broiler farms in Japan have been characterized as VanA-type VRE, which express high-level vancomycin resistance (256 or 512 microg ml(-1), MIC) and low-level teicoplanin resistance (1 or 2 microg ml(-1), MIC). The vancomycin resistances were encoded on plasmids. The vancomycin resistance conjugative plasmid pMG2 was isolated from the GV2 strain. The VanA determinant of pMG2 showed the same genetic organization as that of the VanA genes encoded on the representative transposon Tn1546, which comprises vanRSHAXYZ. The nucleotide sequences of all the genes, except the gene related to the vanS gene on Tn1546, were completely identical to the genes encoded on Tn1546. Three amino acid substitutions in the N-terminal region of the deduced VanS were detected in the nucleotide sequence of vanS encoded on pMG2. There were also three amino acid substitutions in the vanS gene of the GV1 and GV3 strains in the same positions as in the vanS gene of pMG2. Vancomycin induced the increased teicoplanin resistance in these strains.

  14. Van der Waals epitaxy of functional MoO{sub 2} film on mica for flexible electronics

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Ma, Chun-Hao; Department of Materials Science and Engineering, National Chiao Tung University, Hsinchu 30010, Taiwan; Lin, Jheng-Cyuan

    Flexible electronics have a great potential to impact consumer electronics and with that our daily life. Currently, no direct growth of epitaxial functional oxides on commercially available flexible substrates is possible. In this study, in order to address this challenge, muscovite, a common layered oxide, is used as a flexible substrate that is chemically similar to typical functional oxides. We fabricated epitaxial MoO{sub 2} films on muscovite via pulsed laser deposition technique. A combination of X-ray diffraction and transmission electron microscopy confirms van der Waals epitaxy of the heterostructures. The electrical transport properties of MoO{sub 2} films are similar tomore » those of the bulk. Flexible or free-standing MoO{sub 2} thin film can be obtained and serve as a template to integrate additional functional oxide layers. Our study demonstrates a remarkable concept to create flexible electronics based on functional oxides.« less

  15. Electromagnetic van Kampen waves

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Ignatov, A. M., E-mail: aign@fpl.gpi.ru

    2017-01-15

    The theory of van Kampen waves in plasma with an arbitrary anisotropic distribution function is developed. The obtained solutions are explicitly expressed in terms of the permittivity tensor. There are three types of perturbations, one of which is characterized by the frequency dependence on the wave vector, while for the other two, the dispersion relation is lacking. Solutions to the conjugate equations allowing one to solve the initial value problem are analyzed.

  16. 19 CFR 10.41a - Lift vans, cargo vans, shipping tanks, skids, pallets, and similar instruments of international...

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 19 Customs Duties 1 2011-04-01 2011-04-01 false Lift vans, cargo vans, shipping tanks, skids... Traffic § 10.41a Lift vans, cargo vans, shipping tanks, skids, pallets, and similar instruments of international traffic; repair components. (a)(1) Lift vans, cargo vans, shipping tanks, skids, pallets, caul...

  17. 19 CFR 10.41a - Lift vans, cargo vans, shipping tanks, skids, pallets, and similar instruments of international...

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 19 Customs Duties 1 2010-04-01 2010-04-01 false Lift vans, cargo vans, shipping tanks, skids... Traffic § 10.41a Lift vans, cargo vans, shipping tanks, skids, pallets, and similar instruments of international traffic; repair components. (a)(1) Lift vans, cargo vans, shipping tanks, skids, pallets, caul...

  18. The Economics of van der Waals Force Engineering

    NASA Astrophysics Data System (ADS)

    Pinto, Fabrizio

    2008-01-01

    As micro-electro-mechanical system (MEMS) fabrication continues on an ever-decreasing scale, new technological challenges must be successfully negotiated if Moore's Law is to be an even approximately valid model of the future of device miniaturization. Among the most significant obstacles is the existence of strong surface forces related to quantum mechanical van der Waals interatomic interactions, which rapidly diverge as the distance between any two neutral boundaries decreases. The van der Waals force is a contributing factor in several device failures and limitations, including, for instance, stiction and oscillator non-linearities. In the last decade, however, it has been conclusively shown that van der Waals forces are not just a MEMS limitation but can be engineered in both magnitude and sign so as to enable classes of proprietary inventions which either deliver novel capabilities or improve upon existing ones. The evolution of van der Waals force research from an almost exclusively theoretical field in quantum-electro-dynamics to an enabling nanotechnology discipline represents a useful example of the ongoing paradigm shift from government-centered to private-capital funded R&D in cutting-edge physics leading to potentially profitable products. In this paper, we discuss the reasons van der Waals force engineering may lead to the creation of thriving markets both in the short and medium terms by highlighting technical challenges that can be competitively addressed by this novel approach. We also discuss some notable obstacles to the cultural transformation of the academic research community required for the emergence of a functional van der Waals force engineering industry worldwide.

  19. Arthur van Gehuchten takes neurology to the movies.

    PubMed

    Aubert, Geneviève

    2002-11-26

    To present the cinematographic production of Arthur Van Gehuchten (1861-1914) and to put this collection into its medical and sociocultural context. The arrival of Edison's Kinetoscope (1891) and Lumière's Cinématographe (1895) provoked the immediate interest of neurologists who foresaw the potential of motion pictures for illustration, research, and teaching. Arthur Van Gehuchten, professor of anatomy and neurology at the Catholic University of Louvain, was trained as a microscopist and a cytologist. From neuroanatomy, he progressively broadened his interest to neurology. Van Gehuchten was an avant-garde teacher, eager to adopt new visual aids. In 1895, he attended the first cinematographic screenings. Medical cinematography was soon brought into disrepute in European academic circles, when films made by the French surgeon Doyen were copied and shown on fairgrounds. Nevertheless, in 1905, Van Gehuchten began to film neurologic patients. He used this technique extensively to demonstrate clinical signs, to illustrate neurologic diseases, and to document functional evolution following surgery. For decades, these films were screened for medical students by Van Gehuchten's successors to the chair of neurology. The original nitrate films (more than 2 hours) have been recently rediscovered. They have been restored by the Royal Belgian Film Archive, where they are the oldest Belgian films. At the beginning of the 20th century, Van Gehuchten built up a collection of moving pictures for teaching purposes. This was one of the first such undertakings. This unique set of films has miraculously survived, and serves as an important archive of nervous diseases and their manifestations prior to the advent of modern therapies.

  20. Dynamic Structure Factor: An Introduction

    NASA Astrophysics Data System (ADS)

    Sturm, K.

    1993-02-01

    The doubly differential cross-section for weak inelastic scattering of waves or particles by manybody systems is derived in Born approximation and expressed in terms of the dynamic structure factor according to van Hove. The application of this very general scheme to scattering of neutrons, x-rays and high-energy electrons is discussed briefly. The dynamic structure factor, which is the space and time Fourier transform of the density-density correlation function, is a property of the many-body system independent of the external probe and carries information on the excitation spectrum of the system. The relation of the electronic structure factor to the density-density response function defined in linear-response theory is shown using the fluctuation-dissipation theorem. This is important for calculations, since the response function can be calculated approximately from the independent-particle response function in self-consistent field approximations, such as the random-phase approximation or the local-density approximation of the density functional theory. Since the density-density response function also determines the dielectric function, the dynamic structure can be expressed by the dielectric function.

  1. Defending commercial surrogate motherhood against Van Niekerk and Van Zyl.

    PubMed Central

    McLachlan, H V

    1997-01-01

    The arguments of Van Niekerk and Van Zyl that, on the grounds that it involves an inappropriate commodification and alienation of women's labour, commercial surrogate motherhood (CSM) is morally suspect are discussed and considered to be defective. In addition, doubt is cast on the notion that CSM should be illegal. PMID:9451602

  2. Atomic Dynamics in Simple Liquid: de Gennes Narrowing Revisited

    DOE PAGES

    Wu, Bin; Iwashita, Takuya; Egami, Takeshi

    2018-03-27

    The de Gennes narrowing phenomenon is frequently observed by neutron or x-ray scattering measurements of the dynamics of complex systems, such as liquids, proteins, colloids, and polymers. The characteristic slowing down of dynamics in the vicinity of the maximum of the total scattering intensity is commonly attributed to enhanced cooperativity. In this Letter, we present an alternative view on its origin through the examination of the time-dependent pair correlation function, the van Hove correlation function, for a model liquid in two, three, and four dimensions. We find that the relaxation time increases monotonically with distance and the dependence on distancemore » varies with dimension. We propose a heuristic explanation of this dependence based on a simple geometrical model. Furthermore, this finding sheds new light on the interpretation of the de Gennes narrowing phenomenon and the α-relaxation time.« less

  3. Atomic Dynamics in Simple Liquid: de Gennes Narrowing Revisited

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Wu, Bin; Iwashita, Takuya; Egami, Takeshi

    The de Gennes narrowing phenomenon is frequently observed by neutron or x-ray scattering measurements of the dynamics of complex systems, such as liquids, proteins, colloids, and polymers. The characteristic slowing down of dynamics in the vicinity of the maximum of the total scattering intensity is commonly attributed to enhanced cooperativity. In this Letter, we present an alternative view on its origin through the examination of the time-dependent pair correlation function, the van Hove correlation function, for a model liquid in two, three, and four dimensions. We find that the relaxation time increases monotonically with distance and the dependence on distancemore » varies with dimension. We propose a heuristic explanation of this dependence based on a simple geometrical model. Furthermore, this finding sheds new light on the interpretation of the de Gennes narrowing phenomenon and the α-relaxation time.« less

  4. Dynamic Structure of a Molecular Liquid S0.5Cl0.5: Ab initio Molecular-Dynamics Simulations

    NASA Astrophysics Data System (ADS)

    Ohmura, Satoshi; Shimakura, Hironori; Kawakita, Yukinobu; Shimojo, Fuyuki; Yao, Makoto

    2013-07-01

    The static and dynamic structures of a molecular liquid S0.5Cl0.5 consisting of Cl--S--S--Cl (S2Cl2) type molecules are studied by means of ab initio molecular dynamics simulations. Both the calculated static and dynamic structure factors are in good agreement with experimental results. The dynamic structures are discussed based on van-Hove distinct correlation functions, molecular translational mean-square displacements (TMSD) and rotational mean-square displacements (RMSD). In the TMSD and RMSD, there are ballistic and diffusive regimes in the sub-picosecond and picosecond time regions, respectively. These time scales are consistent with the decay time observed experimentally. The interaction between molecules in the liquid is also discussed in comparison with that in another liquid chalcogen--halogen system Se0.5Cl0.5.

  5. Space Van system update

    NASA Astrophysics Data System (ADS)

    Cormier, Len

    1992-07-01

    The Space Van is a proposed commercial launch vehicle that is designed to carry 1150 kg to a space-station orbit for a price of $1,900,000 per flight in 1992 dollars. This price includes return on preoperational investment. Recurring costs are expected to be about $840,000 per flight. The Space Van is a fully reusable, assisted-single-stage-to orbit system. The most innovative new feature of the Space Van system is the assist-stage concept. The assist stage uses only airbreathing engines for vertical takeoff and vertical landing in the horizontal attitude and for launching the rocket-powered orbiter stage at mach 0.8 and an altitude of about 12 km. The primary version of the orbiter is designed for cargo-only without a crew. However, a passenger version of the Space Van should be able to carry a crew of two plus six passengers to a space-station orbit. Since the Space Van is nearly single-stage, performance to polar orbit drops off significantly. The cargo version should be capable of carrying 350 kg to a 400-km polar orbit. In the passenger version, the Space Van should be able to carry two crew members - or one crew member plus a passenger.

  6. Dirac points, spinons and spin liquid in twisted bilayer graphene

    NASA Astrophysics Data System (ADS)

    Irkhin, V. Yu.; Skryabin, Yu. N.

    2018-05-01

    Twisted bilayer graphene is an excellent example of highly correlated system demonstrating a nearly flat electron band, the Mott transition and probably a spin liquid state. Besides the one-electron picture, analysis of Dirac points is performed in terms of spinon Fermi surface in the limit of strong correlations. Application of gauge field theory to describe deconfined spin liquid phase is treated. Topological quantum transitions, including those from small to large Fermi surface in the presence of van Hove singularities, are discussed.

  7. Meeting Jentschke

    ScienceCinema

    None

    2018-05-18

    After an introduction about the latest research and news at CERN, the DG W. Jentschke speaks about future management of CERN with two new general managers, who will be in charge for the next 5 years: Dr. J.B. Adams who will focus on the administration of CERN and also the construction of buildings and equipment, and Dr. L. Van Hove who will be responsible for research activities. The DG speaks about expected changes, shared services, different divisions and their leaders, etc.

  8. Genomic and expression analysis of the vanG-like gene cluster of Clostridium difficile.

    PubMed

    Peltier, Johann; Courtin, Pascal; El Meouche, Imane; Catel-Ferreira, Manuella; Chapot-Chartier, Marie-Pierre; Lemée, Ludovic; Pons, Jean-Louis

    2013-07-01

    Primary antibiotic treatment of Clostridium difficile intestinal diseases requires metronidazole or vancomycin therapy. A cluster of genes homologous to enterococcal glycopeptides resistance vanG genes was found in the genome of C. difficile 630, although this strain remains sensitive to vancomycin. This vanG-like gene cluster was found to consist of five ORFs: the regulatory region consisting of vanR and vanS and the effector region consisting of vanG, vanXY and vanT. We found that 57 out of 83 C. difficile strains, representative of the main lineages of the species, harbour this vanG-like cluster. The cluster is expressed as an operon and, when present, is found at the same genomic location in all strains. The vanG, vanXY and vanT homologues in C. difficile 630 are co-transcribed and expressed to a low level throughout the growth phases in the absence of vancomycin. Conversely, the expression of these genes is strongly induced in the presence of subinhibitory concentrations of vancomycin, indicating that the vanG-like operon is functional at the transcriptional level in C. difficile. Hydrophilic interaction liquid chromatography (HILIC-HPLC) and MS analysis of cytoplasmic peptidoglycan precursors of C. difficile 630 grown without vancomycin revealed the exclusive presence of a UDP-MurNAc-pentapeptide with an alanine at the C terminus. UDP-MurNAc-pentapeptide [d-Ala] was also the only peptidoglycan precursor detected in C. difficile grown in the presence of vancomycin, corroborating the lack of vancomycin resistance. Peptidoglycan structures of a vanG-like mutant strain and of a strain lacking the vanG-like cluster did not differ from the C. difficile 630 strain, indicating that the vanG-like cluster also has no impact on cell-wall composition.

  9. Effect of van der Waals interactions on the structural and binding properties of GaSe

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Sarkisov, Sergey Y., E-mail: sarkisov@mail.tsu.ru; Kosobutsky, Alexey V., E-mail: kosobutsky@kemsu.ru; Kemerovo State University, Krasnaya 6, 650043 Kemerovo

    The influence of van der Waals interactions on the lattice parameters, band structure, elastic moduli and binding energy of layered GaSe compound has been studied using projector-augmented wave method within density functional theory. We employed the conventional local/semilocal exchange-correlation functionals and recently developed van der Waals functionals which are able to describe dispersion forces. It is found that application of van der Waals density functionals allows to substantially increase the accuracy of calculations of the lattice constants a and c and interlayer distance in GaSe at ambient conditions and under hydrostatic pressure. The pressure dependences of the a-parameter, Ga–Ga, Ga–Semore » bond lengths and Ga–Ga–Se bond angle are characterized by a relatively low curvature, while c(p) has a distinct downward bowing due to nonlinear shrinking of the interlayer spacing. From the calculated binding energy curves we deduce the interlayer binding energy of GaSe, which is found to be in the range 0.172–0.197 eV/layer (14.2–16.2 meV/Å{sup 2}). - Highlights: • Effects of van der Waals interactions are analyzed using advanced density functionals. • Calculations with vdW-corrected functionals closely agree with experiment. • Interlayer binding energy of GaSe is estimated to be 14.2–16.2 meV/Å{sup 2}.« less

  10. Effects of van der Waals density functional corrections on trends in furfural adsorption and hydrogenation on close-packed transition metal surfaces

    NASA Astrophysics Data System (ADS)

    Liu, Bin; Cheng, Lei; Curtiss, Larry; Greeley, Jeffrey

    2014-04-01

    The hydrogenation of furfural to furfuryl alcohol on Pd(111), Cu(111) and Pt(111) is studied with both standard Density Functional Theory (DFT)-GGA functionals and with van der Waals-corrected density functionals. VdW-DF functionals, including optPBE, optB88, optB86b, and Grimme's method, are used to optimize the adsorption configurations of furfural, furfuryl alcohol, and related intermediates resulting from hydrogenation of furfural, and the results are compared to corresponding values determined with GGA functionals, including PW91 and PBE. On Pd(111) and Pt(111), the adsorption geometries of the intermediates are not noticeably different between the two classes of functionals, while on Cu(111), modest changes are seen in both the perpendicular distance and the orientation of the aromatic ring with respect to the planar surface. In general, the binding energies increase substantially in magnitude as a result of van der Waals contributions on all metals. In contrast, however, dispersion effects on the kinetics of hydrogenation are relatively small. It is found that activation barriers are not significantly affected by the inclusion of dispersion effects, and a Brønsted-Evans-Polanyi relationship developed solely from PW91 calculations on Pd(111) is capable of describing corresponding results on Cu(111) and Pt(111), even when the dispersion effects are included. Finally, the reaction energies and barriers derived from the dispersion-corrected and pure GGA calculations are used to plot simple potential energy profiles for furfural hydrogenation to furfuryl alcohol on the three considered metals, and an approximately constant downshift of the energetics due to the dispersion corrections is observed.

  11. Van der Waals equation of state revisited: importance of the dispersion correction.

    PubMed

    de Visser, Sam P

    2011-04-28

    One of the most basic equations of state describing nonideal gases and liquids is the van der Waals equation of state, and as a consequence, it is generally taught in most first year undergraduate chemistry courses. In this work, we show that the constants a and b in the van der Waals equation of state are linearly proportional to the polarizability volume of the molecules in a gas or liquid. Using this information, a new thermodynamic one-parameter equation of state is derived that contains experimentally measurable variables and physics constants only. This is the first equation of state apart from the Ideal Gas Law that contains experimentally measurable variables and physics constants only, and as such, it may be a very useful and practical equation for the description of dilute gases and liquids. The modified van der Waals equation of state describes pV as the sum of repulsive and attractive intermolecular interaction energies that are represented by an exponential repulsion function between the electron clouds of the molecules and a London dispersion component, respectively. The newly derived equation of state is tested against experimental data for several gas and liquid examples, and the agreement is satisfactory. The description of the equation of state as a one-parameter function also has implications on other thermodynamic functions, such as critical parameters, virial coefficients, and isothermal compressibilities. Using our modified van der Waals equation of state, we show that all of these properties are a function of the molecular polarizability volume. Correlations of experimental data confirm the derived proportionalities.

  12. Use of Two-Body Correlated Basis Functions with van der Waals Interaction to Study the Shape-Independent Approximation for a Large Number of Trapped Interacting Bosons

    NASA Astrophysics Data System (ADS)

    Lekala, M. L.; Chakrabarti, B.; Das, T. K.; Rampho, G. J.; Sofianos, S. A.; Adam, R. M.; Haldar, S. K.

    2017-05-01

    We study the ground-state and the low-lying excitations of a trapped Bose gas in an isotropic harmonic potential for very small (˜ 3) to very large (˜ 10^7) particle numbers. We use the two-body correlated basis functions and the shape-dependent van der Waals interaction in our many-body calculations. We present an exhaustive study of the effect of inter-atomic correlations and the accuracy of the mean-field equations considering a wide range of particle numbers. We calculate the ground-state energy and the one-body density for different values of the van der Waals parameter C6. We compare our results with those of the modified Gross-Pitaevskii results, the correlated Hartree hypernetted-chain equations (which also utilize the two-body correlated basis functions), as well as of the diffusion Monte Carlo for hard sphere interactions. We observe the effect of the attractive tail of the van der Waals potential in the calculations of the one-body density over the truly repulsive zero-range potential as used in the Gross-Pitaevskii equation and discuss the finite-size effects. We also present the low-lying collective excitations which are well described by a hydrodynamic model in the large particle limit.

  13. Mentale Inzetbaarheid van Teams: Ontwikkeling van een Moden van Teamfunctioneren als Module voor SCOPE (Mental Readiness of Teams - Development of a Team Model as Module for SCOPE)

    DTIC Science & Technology

    2007-04-01

    inzetbaarheid van teams: ontwikkeling van een model van teamfunctioneren als module voor SCOPE Datumn april 2007 Auteur (s) R. de B~ruin C’. Vervvijs A.J...Datum april 2007 Programmaleider Projectleider Auteur (s) dr. W.A. Lotens, TNO Defensie en A.]. van Vijet, TNO Defensie en R. de Bruin Veiligheid...Deelnemers verwachten wel, in lijn met de theorie , dat een lage cohesie samenhangt met een lage effectiviteit. Een hoge cohesie, daarentegen, zou

  14. Members of the Genera Paenibacillus and Rhodococcus Harbor Genes Homologous to Enterococcal Glycopeptide Resistance Genes vanA and vanB

    PubMed Central

    Guardabassi, L.; Christensen, H.; Hasman, H.; Dalsgaard, A.

    2004-01-01

    Genes homologous to enterococcal glycopeptide resistance genes vanA and vanB were found in glycopeptide-resistant Paenibacillus and Rhodococcus strains from soil. The putative d-Ala:d-Lac ligase genes in Paenibacillus thiaminolyticus PT-2B1 and Paenibacillus apiarius PA-B2B were closely related to vanA (92 and 87%) and flanked by genes homologous to vanH and vanX in vanA operons. PMID:15561881

  15. Members of the genera Paenibacillus and Rhodococcus harbor genes homologous to enterococcal glycopeptide resistance genes vanA and vanB.

    PubMed

    Guardabassi, L; Christensen, H; Hasman, H; Dalsgaard, A

    2004-12-01

    Genes homologous to enterococcal glycopeptide resistance genes vanA and vanB were found in glycopeptide-resistant Paenibacillus and Rhodococcus strains from soil. The putative D-Ala:D-Lac ligase genes in Paenibacillus thiaminolyticus PT-2B1 and Paenibacillus apiarius PA-B2B were closely related to vanA (92 and 87%) and flanked by genes homologous to vanH and vanX in vanA operons.

  16. 19 CFR 10.41a - Lift vans, cargo vans, shipping tanks, skids, pallets, and similar instruments of international...

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... for inspection by Customs officials upon reasonable notice. (3) If the container does not exit the U.S... 19 Customs Duties 1 2014-04-01 2014-04-01 false Lift vans, cargo vans, shipping tanks, skids... Traffic § 10.41a Lift vans, cargo vans, shipping tanks, skids, pallets, and similar instruments of...

  17. 19 CFR 10.41a - Lift vans, cargo vans, shipping tanks, skids, pallets, and similar instruments of international...

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... for inspection by Customs officials upon reasonable notice. (3) If the container does not exit the U.S... 19 Customs Duties 1 2012-04-01 2012-04-01 false Lift vans, cargo vans, shipping tanks, skids... Traffic § 10.41a Lift vans, cargo vans, shipping tanks, skids, pallets, and similar instruments of...

  18. 19 CFR 10.41a - Lift vans, cargo vans, shipping tanks, skids, pallets, and similar instruments of international...

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... for inspection by Customs officials upon reasonable notice. (3) If the container does not exit the U.S... 19 Customs Duties 1 2013-04-01 2013-04-01 false Lift vans, cargo vans, shipping tanks, skids... Traffic § 10.41a Lift vans, cargo vans, shipping tanks, skids, pallets, and similar instruments of...

  19. A unique Austin Chalk reservoir, Van field, Van Zandt County, Texas

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Lowe, J.T.

    1990-09-01

    Significant shallow oil production from the Austin Chalk was established in the Van field, Van Zandt County, in East Texas in the late 1980s. The Van field structure is a complexly faulted domal anticline created by salt intrusion. The Woodbine sands, which underlie the Austin Chalk, have been and continue to be the predominant reservoir rocks in the field. Evidence indicates that faults provided vertical conduits for migration of Woodbine oil into the Austin Chalk where it was trapped along the structural crest. The most prolific Austin Chalk production is on the upthrown side of the main field fault, asmore » is the Woodbine. The Austin Chalk is a soft, white to light gray limestone composed mostly of coccoliths with some pelecypods. Unlike the Austin Chalk in the Giddings and Pearsall fields, the chalk at Van was not as deeply buried and therefore did not become brittle and susceptible to tensional or cryptic fracturing. The shallow burial in the Van field was also important in that it allowed the chalk to retain primary microporosity. The production comes entirely from this primary porosity. In addition to the structural position and underlying oil source from the Woodbine, the depositional environment and associated lithofacies are also keys to the reservoir quality in the Van field as demonstrated by cores from the upthrown and downthrown (less productive) sides of the main field fault. It appears that at the time of Austin Chalk deposition, the main field fault was active and caused the upthrown side to be a structural high and a more agreeable environment for benthonic organisms such as pelecypods and worms. The resulting bioturbation enhanced the reservoir's permeability enough to allow migration and entrapment of the oil. Future success in exploration for analogous Austin Chalk reservoirs will require the combination of a favorable environment of deposition, a nearby Woodbine oil source, and a faulted trap that will provide the conduit for migration.« less

  20. Seeing real-space dynamics of liquid water through inelastic x-ray scattering

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Iwashita, Takuya; Wu, Bin; Chen, Wei-Ren

    Water is ubiquitous on earth, but we know little about the real-space motion of molecules in liquid water. We demonstrate that high-resolution inelastic x-ray scattering measurement over a wide range of momentum and energy transfer makes it possible to probe real-space, real-time dynamics of water molecules through the so-called Van Hove function. Water molecules are found to be strongly correlated in space and time with coupling between the first and second nearest-neighbor molecules. The local dynamic correlation of molecules observed here is crucial to a fundamental understanding of the origin of the physical properties of water, including viscosity. The resultsmore » also suggest that the quantum-mechanical nature of hydrogen bonds could influence its dynamics. Finally, the approach used here offers a powerful experimental method for investigating real-space dynamics of liquids.« less

  1. Seeing real-space dynamics of liquid water through inelastic x-ray scattering

    DOE PAGES

    Iwashita, Takuya; Wu, Bin; Chen, Wei-Ren; ...

    2017-12-22

    Water is ubiquitous on earth, but we know little about the real-space motion of molecules in liquid water. We demonstrate that high-resolution inelastic x-ray scattering measurement over a wide range of momentum and energy transfer makes it possible to probe real-space, real-time dynamics of water molecules through the so-called Van Hove function. Water molecules are found to be strongly correlated in space and time with coupling between the first and second nearest-neighbor molecules. The local dynamic correlation of molecules observed here is crucial to a fundamental understanding of the origin of the physical properties of water, including viscosity. The resultsmore » also suggest that the quantum-mechanical nature of hydrogen bonds could influence its dynamics. Finally, the approach used here offers a powerful experimental method for investigating real-space dynamics of liquids.« less

  2. Seeing real-space dynamics of liquid water through inelastic x-ray scattering.

    PubMed

    Iwashita, Takuya; Wu, Bin; Chen, Wei-Ren; Tsutsui, Satoshi; Baron, Alfred Q R; Egami, Takeshi

    2017-12-01

    Water is ubiquitous on earth, but we know little about the real-space motion of molecules in liquid water. We demonstrate that high-resolution inelastic x-ray scattering measurement over a wide range of momentum and energy transfer makes it possible to probe real-space, real-time dynamics of water molecules through the so-called Van Hove function. Water molecules are found to be strongly correlated in space and time with coupling between the first and second nearest-neighbor molecules. The local dynamic correlation of molecules observed here is crucial to a fundamental understanding of the origin of the physical properties of water, including viscosity. The results also suggest that the quantum-mechanical nature of hydrogen bonds could influence its dynamics. The approach used here offers a powerful experimental method for investigating real-space dynamics of liquids.

  3. Stirling Powered Van Progam overview

    NASA Technical Reports Server (NTRS)

    Shaltens, R. K.

    1986-01-01

    The Stirling Powered Van Program (SPVP) is a multiyear, multiphase program to evaluate the automotive Stirling engine (ASE) in Air Force vans under realistic conditions. The objective of the SPVP is to transfer to manufacturer and end user(s) (i.e., on the path to commercialization) the second-generation Mod 2 ASE upon completion of the Automotive Stirling Engine Program in 1987. In order to meet this objective, the SPVP must establish Stirling performance, integrity, reliability, durability and maintainability. The ASE program background leading to the van program is reviewed and plans for evaluating the kinematic Stirling engine in Air Force vans examined. Also discussed are the NASA technology transfers to industry that have been accomplished and those which are currently being developed.

  4. Manipulation of spontaneous emission in a tapered photonic crystal fibre

    NASA Astrophysics Data System (ADS)

    Myers, S. J.; Fussell, D. P.; Dawes, J. M.; Mägi, E.; McPhedran, R. C.; Eggleton, B. J.; de Sterke, C. Martijn

    2006-12-01

    We characterize the spontaneous emission of dye that is introduced into the central core of a tapered photonic crystal fiber. Since the photonic crystal period in the fibre cladding varies along the taper, the transmission and spontaneous emission spectra over a wide range of relative frequencies can be observed. The spontaneous emission spectra of the fibre transverse to the fiber axis show suppression due to partial band-gaps of the structure, and also enhancement of spontaneous emission near the band edges. We associate these with van Hove features, as well as finite cluster size effects.

  5. Van der Waals interactions and the limits of isolated atom models at interfaces

    PubMed Central

    Kawai, Shigeki; Foster, Adam S.; Björkman, Torbjörn; Nowakowska, Sylwia; Björk, Jonas; Canova, Filippo Federici; Gade, Lutz H.; Jung, Thomas A.; Meyer, Ernst

    2016-01-01

    Van der Waals forces are among the weakest, yet most decisive interactions governing condensation and aggregation processes and the phase behaviour of atomic and molecular matter. Understanding the resulting structural motifs and patterns has become increasingly important in studies of the nanoscale regime. Here we measure the paradigmatic van der Waals interactions represented by the noble gas atom pairs Ar–Xe, Kr–Xe and Xe–Xe with a Xe-functionalized tip of an atomic force microscope at low temperature. Individual rare gas atoms were fixed at node sites of a surface-confined two-dimensional metal–organic framework. We found that the magnitude of the measured force increased with the atomic radius, yet detailed simulation by density functional theory revealed that the adsorption induced charge redistribution strengthened the van der Waals forces by a factor of up to two, thus demonstrating the limits of a purely atomic description of the interaction in these representative systems. PMID:27174162

  6. Biochemical and Genetic Characterization of the vanC-2 Vancomycin Resistance Gene Cluster of Enterococcus casseliflavus ATCC 25788

    PubMed Central

    Dutta, Ireena; Reynolds, Peter E.

    2002-01-01

    The vanC-2 cluster of Enterococcus casseliflavus ATCC 25788 consisted of five genes (vanC-2, vanXYC-2, vanTC-2, vanRC-2, and vanSC-2) and shared the same organization as the vanC cluster of E. gallinarum BM4174. The proteins encoded by these genes displayed a high degree of amino acid identity to the proteins encoded within the vanC gene cluster. The putative d,d-dipeptidase-d,d-carboxypeptidase, VanXYC-2, exhibited 81% amino acid identity to VanXYC, and VanTC-2 displayed 65% amino acid identity to the serine racemase, VanT. VanRC-2 and VanSC-2 displayed high degrees of identity to VanRC and VanSC, respectively, and contained the conserved residues identified as important to their function as a response regulator and histidine kinase, respectively. Resistance to vancomycin was expressed inducibly in E. casseliflavus ATCC 25788 and required an extended period of induction. Analysis of peptidoglycan precursors revealed that UDP-N-acetylmuramyl-l-Ala-δ-d-Glu-l-Lys-d-Ala-d-Ser could not be detected until several hours after the addition of vancomycin, and its appearance coincided with the resumption of growth. The introduction of additional copies of the vanTC-2 gene, encoding a putative serine racemase, and the presence of supplementary d-serine in the growth medium both significantly reduced the period before growth resumed after addition of vancomycin. This suggested that the availability of d-serine plays an important role in the induction process. PMID:12234834

  7. Characterisation of the selective binding of antibiotics vancomycin and teicoplanin by the VanS receptor regulating type A vancomycin resistance in the enterococci.

    PubMed

    Hughes, C S; Longo, E; Phillips-Jones, M K; Hussain, R

    2017-08-01

    A-type resistance towards "last-line" glycopeptide antibiotic vancomycin in the leading hospital acquired infectious agent, the enterococci, is the most common in the UK. Resistance is regulated by the VanR A S A two-component system, comprising the histidine sensor kinase VanS A and the partner response regulator VanR A . The nature of the activating ligand for VanS A has not been identified, therefore this work sought to identify and characterise ligand(s) for VanS A . In vitro approaches were used to screen the structural and activity effects of a range of potential ligands with purified VanS A protein. Of the screened ligands (glycopeptide antibiotics vancomycin and teicoplanin, and peptidoglycan components N-acetylmuramic acid, D-Ala-D-Ala and Ala-D-y-Glu-Lys-D-Ala-D-Ala) only glycopeptide antibiotics vancomycin and teicoplanin were found to bind VanS A with different affinities (vancomycin 70μM; teicoplanin 30 and 170μM), and were proposed to bind via exposed aromatic residues tryptophan and tyrosine. Furthermore, binding of the antibiotics induced quicker, longer-lived phosphorylation states for VanS A , proposing them as activators of type A vancomycin resistance in the enterococci. Copyright © 2017 Diamond Light Source Ltd. Published by Elsevier B.V. All rights reserved.

  8. Biochemical and genetic characterization of the vanC-2 vancomycin resistance gene cluster of Enterococcus casseliflavus ATCC 25788.

    PubMed

    Dutta, Ireena; Reynolds, Peter E

    2002-10-01

    The vanC-2 cluster of Enterococcus casseliflavus ATCC 25788 consisted of five genes (vanC-2, vanXY(C-2), vanT(C-2), vanR(C-2), and vanS(C-2)) and shared the same organization as the vanC cluster of E. gallinarum BM4174. The proteins encoded by these genes displayed a high degree of amino acid identity to the proteins encoded within the vanC gene cluster. The putative D,D-dipeptidase-D,D-carboxypeptidase, VanXY(C-2), exhibited 81% amino acid identity to VanXY(C), and VanT(C-2) displayed 65% amino acid identity to the serine racemase, VanT. VanR(C-2) and VanS(C-2) displayed high degrees of identity to VanR(C) and VanS(C), respectively, and contained the conserved residues identified as important to their function as a response regulator and histidine kinase, respectively. Resistance to vancomycin was expressed inducibly in E. casseliflavus ATCC 25788 and required an extended period of induction. Analysis of peptidoglycan precursors revealed that UDP-N-acetylmuramyl-L-Ala-delta-D-Glu-L-Lys-D-Ala-D-Ser could not be detected until several hours after the addition of vancomycin, and its appearance coincided with the resumption of growth. The introduction of additional copies of the vanT(C-2) gene, encoding a putative serine racemase, and the presence of supplementary D-serine in the growth medium both significantly reduced the period before growth resumed after addition of vancomycin. This suggested that the availability of D-serine plays an important role in the induction process.

  9. Critical lines for an unequal size of molecules in a binary gas-liquid mixture around the van Laar point using the combination of the Tompa model and the van der Waals equation.

    PubMed

    Gençaslan, Mustafa; Keskin, Mustafa

    2012-02-14

    We combine the modified Tompa model with the van der Waals equation to study critical lines for an unequal size of molecules in a binary gas-liquid mixture around the van Laar point. The van Laar point is coined by Meijer and it is the only point at which the mathematical double point curve is stable. It is the intersection of the tricritical point and the double critical end point. We calculate the critical lines as a function of χ(1) and χ(2), the density of type I molecules and the density of type II molecules for various values of the system parameters; hence the global phase diagrams are presented and discussed in the density-density plane. We also investigate the connectivity of critical lines at the van Laar point and its vicinity and discuss these connections according to the Scott and van Konynenburg classifications. It is also found that the critical lines and phase behavior are extremely sensitive to small modifications in the system parameters. © 2012 American Institute of Physics

  10. Dynamic Determination of Some Optical and Electrical Properties of Galena Natural Mineral: Potassium Ethyl Xanthate Solution Interface

    NASA Astrophysics Data System (ADS)

    Todoran, D.; Todoran, R.; Anitas, E. M.; Szakacs, Zs.

    2017-12-01

    This paper presents results concerning optical and electrical properties of galena natural mineral and of the interface layer formed between it and the potassium ethyl xanthate solution. The applied experimental method was differential optical reflectance spectroscopy over the UV-Vis/NIR spectral domain. Computations were made using the Kramers-Kronig formalism. Spectral dependencies of the electron loss functions, determined from the reflectance data obtained from the polished mineral surface, display van Hove singularities, leading to the determination of its valence band gap and electron plasma energy. Time dependent measurement of the spectral dispersion of the relative reflectance of the film formed at the interface, using the same computational formalism, leads to the dynamical determination of the spectral variation of its optical and electrical properties. We computed behaviors of the dielectric constant (dielectric permittivity), the dielectric loss function, refractive index and extinction coefficient, effective valence number and of the electron loss functions. The measurements tend to stabilize when the dynamic adsorption-desorption equilibrium is reached at the interface level.

  11. On the accuracy of van der Waals inclusive density-functional theory exchange-correlation functionals for ice at ambient and high pressures.

    PubMed

    Santra, Biswajit; Klimes, Jirí; Tkatchenko, Alexandre; Alfè, Dario; Slater, Ben; Michaelides, Angelos; Car, Roberto; Scheffler, Matthias

    2013-10-21

    Density-functional theory (DFT) has been widely used to study water and ice for at least 20 years. However, the reliability of different DFT exchange-correlation (xc) functionals for water remains a matter of considerable debate. This is particularly true in light of the recent development of DFT based methods that account for van der Waals (vdW) dispersion forces. Here, we report a detailed study with several xc functionals (semi-local, hybrid, and vdW inclusive approaches) on ice Ih and six proton ordered phases of ice. Consistent with our previous study [B. Santra, J. Klimeš, D. Alfè, A. Tkatchenko, B. Slater, A. Michaelides, R. Car, and M. Scheffler, Phys. Rev. Lett. 107, 185701 (2011)] which showed that vdW forces become increasingly important at high pressures, we find here that all vdW inclusive methods considered improve the relative energies and transition pressures of the high-pressure ice phases compared to those obtained with semi-local or hybrid xc functionals. However, we also find that significant discrepancies between experiment and the vdW inclusive approaches remain in the cohesive properties of the various phases, causing certain phases to be absent from the phase diagram. Therefore, room for improvement in the description of water at ambient and high pressures remains and we suggest that because of the stern test the high pressure ice phases pose they should be used in future benchmark studies of simulation methods for water.

  12. Softwaremodule voor het Simuleren van de Gevolgen van Raketonderschepping (The Dutch Program for the Simulation of Missile Intercept Effects)

    DTIC Science & Technology

    2007-07-01

    effects (Softwaremodule voor het simuleren van de gevolgen van raketonderschepping) 11 . AUTHOR(S) Dr E. Abadjieva, MSc R.P. Sterkenburg, MSc F. Bouquet...Softwaremnodule voor het simuleren van de gevolgen van raketonderschepping D)attini Juli 2007 Auteur(s) dr. F. Abadjicva ir. R.P Sterkenburg ir. F. Bouquet ir...P.W. D)ouip Rubricering rapport O)ngerubri ceerd Vastgesteld door Maj R. 11 . Jongkinid Vastgesteld d.d. 12 juni 2007 (Deze nitining mizil-4 sict

  13. Beslisbevoegdheden en Verantwoordelijkheden van de Uitgestegen Soldaat. Deel A: Verplaatsen van Beslisbevoegdheden (Authority and Responsibility of the Dismounted Soldier. Part A. Empowering the Dismounted Soldier)

    DTIC Science & Technology

    2007-04-01

    en verantwoordelijkheden van de uitgestegen soldaat Deel A: verplaatsen van beslisbevoegdheden Datumn april 2007 Auteur (s) R. de Bruin ITE. van Bernmel...Admiraal, Bureau SMP Auteur (s) R. de Bruin Program maleider Projectleider I.E. van Bemnmel dr. W.A. Lotens, A.J. van Vliet, A.J. van Vijet TNO Defensie en...Leadership Theory en wordt relevant geacht voor de ontvangers van aanvullende beslisbevoegdheden. 2.1.3 Het oogmerk van de hogere commandant Een ander

  14. The phosphotransferase VanU represses expression of four qrr genes antagonizing VanO-mediated quorum-sensing regulation in Vibrio anguillarum

    PubMed Central

    Weber, Barbara; Lindell, Kristoffer; El Qaidi, Samir; Hjerde, Erik; Willassen, Nils-Peder

    2011-01-01

    Vibrio anguillarum utilizes quorum sensing to regulate stress responses required for survival in the aquatic environment. Like other Vibrio species, V. anguillarum contains the gene qrr1, which encodes the ancestral quorum regulatory RNA Qrr1, and phosphorelay quorum-sensing systems that modulate the expression of small regulatory RNAs (sRNAs) that destabilize mRNA encoding the transcriptional regulator VanT. In this study, three additional Qrr sRNAs were identified. All four sRNAs were positively regulated by σ54 and the σ54-dependent response regulator VanO, and showed a redundant activity. The Qrr sRNAs, together with the RNA chaperone Hfq, destabilized vanT mRNA and modulated expression of VanT-regulated genes. Unexpectedly, expression of all four qrr genes peaked at high cell density, and exogenously added N-acylhomoserine lactone molecules induced expression of the qrr genes at low cell density. The phosphotransferase VanU, which phosphorylates and activates VanO, repressed expression of the Qrr sRNAs and stabilized vanT mRNA. A model is presented proposing that VanU acts as a branch point, aiding cross-regulation between two independent phosphorelay systems that activate or repress expression of the Qrr sRNAs, giving flexibility and precision in modulating VanT expression and inducing a quorum-sensing response to stresses found in a constantly changing aquatic environment. PMID:21948044

  15. The phosphotransferase VanU represses expression of four qrr genes antagonizing VanO-mediated quorum-sensing regulation in Vibrio anguillarum.

    PubMed

    Weber, Barbara; Lindell, Kristoffer; El Qaidi, Samir; Hjerde, Erik; Willassen, Nils-Peder; Milton, Debra L

    2011-12-01

    Vibrio anguillarum utilizes quorum sensing to regulate stress responses required for survival in the aquatic environment. Like other Vibrio species, V. anguillarum contains the gene qrr1, which encodes the ancestral quorum regulatory RNA Qrr1, and phosphorelay quorum-sensing systems that modulate the expression of small regulatory RNAs (sRNAs) that destabilize mRNA encoding the transcriptional regulator VanT. In this study, three additional Qrr sRNAs were identified. All four sRNAs were positively regulated by σ(54) and the σ(54)-dependent response regulator VanO, and showed a redundant activity. The Qrr sRNAs, together with the RNA chaperone Hfq, destabilized vanT mRNA and modulated expression of VanT-regulated genes. Unexpectedly, expression of all four qrr genes peaked at high cell density, and exogenously added N-acylhomoserine lactone molecules induced expression of the qrr genes at low cell density. The phosphotransferase VanU, which phosphorylates and activates VanO, repressed expression of the Qrr sRNAs and stabilized vanT mRNA. A model is presented proposing that VanU acts as a branch point, aiding cross-regulation between two independent phosphorelay systems that activate or repress expression of the Qrr sRNAs, giving flexibility and precision in modulating VanT expression and inducing a quorum-sensing response to stresses found in a constantly changing aquatic environment.

  16. A Polarimetric Extension of the van Cittert-Zernike Theorem for Use with Microwave Interferometers

    NASA Technical Reports Server (NTRS)

    Piepmeier, J. R.; Simon, N. K.

    2004-01-01

    The van Cittert-Zernike theorem describes the Fourier-transform relationship between an extended source and its visibility function. Developments in classical optics texts use scalar field formulations for the theorem. Here, we develop a polarimetric extension to the van Cittert-Zernike theorem with applications to passive microwave Earth remote sensing. The development provides insight into the mechanics of two-dimensional interferometric imaging, particularly the effects of polarization basis differences between the scene and the observer.

  17. Synthetic Minor NSR Permit: Van Hook Crude Terminal, LLC - Van Hook Crude Terminal/Rail Loading Facility

    EPA Pesticide Factsheets

    This page contains the current effective synthetic minor NSR permit for the Van Hook Crude Terminal, LLC, Van Hook Crude Terminal/Rail Loading Facility, located on the Fort Berthold Indian Reservation in Mountrail County, ND.

  18. Glycopeptide Resistance vanA Operons in Paenibacillus Strains Isolated from Soil

    PubMed Central

    Guardabassi, Luca; Perichon, Bruno; van Heijenoort, Jean; Blanot, Didier; Courvalin, Patrice

    2005-01-01

    The sequence and gene organization of the van operons in vancomycin (MIC of >256 μg/ml)- and teicoplanin (MIC of ≥32 μg/ml)-resistant Paenibacillus thiaminolyticus PT-2B1 and Paenibacillus apiarius PA-B2B isolated from soil were determined. Both operons had regulatory (vanR and vanS), resistance (vanH, vanA, and vanX), and accessory (vanY, vanZ, and vanW) genes homologous to the corresponding genes in enterococcal vanA and vanB operons. The vanAPT operon in P. thiaminolyticus PT-2B1 had the same gene organization as that of vanA operons whereas vanAPA in P. apiarius PA-B2B resembled vanB operons due to the presence of vanW upstream from the vanHAX cluster but was closer to vanA operons in sequence. Reference P. apiarius strains NRRL B-4299 and NRRL B-4188 were found to harbor operons indistinguishable from vanAPA by PCR mapping, restriction fragment length polymorphism, and partial sequencing, suggesting that this operon was species specific. As in enterococci, resistance was inducible by glycopeptides and associated with the synthesis of pentadepsipeptide peptidoglycan precursors ending in d-Ala-d-Lac, as demonstrated by d,d-dipeptidase activities, high-pressure liquid chromatography, and mass spectrometry. The precursors differed from those in enterococci by the presence of diaminopimelic acid instead of lysine in the peptide chain. Altogether, the results are compatible with the notion that van operons in soil Paenibacillus strains and in enterococci have evolved from a common ancestor. PMID:16189102

  19. Glycopeptide resistance vanA operons in Paenibacillus strains isolated from soil.

    PubMed

    Guardabassi, Luca; Perichon, Bruno; van Heijenoort, Jean; Blanot, Didier; Courvalin, Patrice

    2005-10-01

    The sequence and gene organization of the van operons in vancomycin (MIC of >256 microg/ml)- and teicoplanin (MIC of > or =32 microg/ml)-resistant Paenibacillus thiaminolyticus PT-2B1 and Paenibacillus apiarius PA-B2B isolated from soil were determined. Both operons had regulatory (vanR and vanS), resistance (vanH, vanA, and vanX), and accessory (vanY, vanZ, and vanW) genes homologous to the corresponding genes in enterococcal vanA and vanB operons. The vanA(PT) operon in P. thiaminolyticus PT-2B1 had the same gene organization as that of vanA operons whereas vanA(PA) in P. apiarius PA-B2B resembled vanB operons due to the presence of vanW upstream from the vanHAX cluster but was closer to vanA operons in sequence. Reference P. apiarius strains NRRL B-4299 and NRRL B-4188 were found to harbor operons indistinguishable from vanA(PA) by PCR mapping, restriction fragment length polymorphism, and partial sequencing, suggesting that this operon was species specific. As in enterococci, resistance was inducible by glycopeptides and associated with the synthesis of pentadepsipeptide peptidoglycan precursors ending in D-Ala-D-Lac, as demonstrated by D,D-dipeptidase activities, high-pressure liquid chromatography, and mass spectrometry. The precursors differed from those in enterococci by the presence of diaminopimelic acid instead of lysine in the peptide chain. Altogether, the results are compatible with the notion that van operons in soil Paenibacillus strains and in enterococci have evolved from a common ancestor.

  20. Atomically thin p-n junctions with van der Waals heterointerfaces.

    PubMed

    Lee, Chul-Ho; Lee, Gwan-Hyoung; van der Zande, Arend M; Chen, Wenchao; Li, Yilei; Han, Minyong; Cui, Xu; Arefe, Ghidewon; Nuckolls, Colin; Heinz, Tony F; Guo, Jing; Hone, James; Kim, Philip

    2014-09-01

    Semiconductor p-n junctions are essential building blocks for electronic and optoelectronic devices. In conventional p-n junctions, regions depleted of free charge carriers form on either side of the junction, generating built-in potentials associated with uncompensated dopant atoms. Carrier transport across the junction occurs by diffusion and drift processes influenced by the spatial extent of this depletion region. With the advent of atomically thin van der Waals materials and their heterostructures, it is now possible to realize a p-n junction at the ultimate thickness limit. Van der Waals junctions composed of p- and n-type semiconductors--each just one unit cell thick--are predicted to exhibit completely different charge transport characteristics than bulk heterojunctions. Here, we report the characterization of the electronic and optoelectronic properties of atomically thin p-n heterojunctions fabricated using van der Waals assembly of transition-metal dichalcogenides. We observe gate-tunable diode-like current rectification and a photovoltaic response across the p-n interface. We find that the tunnelling-assisted interlayer recombination of the majority carriers is responsible for the tunability of the electronic and optoelectronic processes. Sandwiching an atomic p-n junction between graphene layers enhances the collection of the photoexcited carriers. The atomically scaled van der Waals p-n heterostructures presented here constitute the ultimate functional unit for nanoscale electronic and optoelectronic devices.

  1. Jao Van De Lagemaat | NREL

    Science.gov Websites

    Jao Van De Lagemaat Photo of Jao Vandelagemaat. Jao Van De Lagemaat Center Director: Chemistry and Lagemaat is currently the Center Director of the Chemistry and Nanoscience Center at NREL. He received his university. Education Ph.D. Physical Chemistry, University of Utrecht Featured Publications View all NREL

  2. Temperature-Dependent and Gate-Tunable Rectification in a Black Phosphorus/WS2 van der Waals Heterojunction Diode.

    PubMed

    Dastgeer, Ghulam; Khan, Muhammad Farooq; Nazir, Ghazanfar; Afzal, Amir Muhammad; Aftab, Sikandar; Naqvi, Bilal Abbas; Cha, Janghwan; Min, Kyung-Ah; Jamil, Yasir; Jung, Jongwan; Hong, Suklyun; Eom, Jonghwa

    2018-04-18

    Heterostructures comprising two-dimensional (2D) semiconductors fabricated by individual stacking exhibit interesting characteristics owing to their 2D nature and atomically sharp interface. As an emerging 2D material, black phosphorus (BP) nanosheets have drawn much attention because of their small band gap semiconductor characteristics along with high mobility. Stacking structures composed of p-type BP and n-type transition metal dichalcogenides can produce an atomically sharp interface with van der Waals interaction which leads to p-n diode functionality. In this study, for the first time, we fabricated a heterojunction p-n diode composed of BP and WS 2 . The rectification effects are examined for monolayer, bilayer, trilayer, and multilayer WS 2 flakes in our BP/WS 2 van der Waals heterojunction diodes and also verified by density function theory calculations. We report superior functionalities as compared to other van der Waals heterojunction, such as efficient gate-dependent static rectification of 2.6 × 10 4 , temperature dependence, thickness dependence of rectification, and ideality factor of the device. The temperature dependence of Zener breakdown voltage and avalanche breakdown voltage were analyzed in the same device. Additionally, superior optoelectronic characteristics such as photoresponsivity of 500 mA/W and external quantum efficiency of 103% are achieved in the BP/WS 2 van der Waals p-n diode, which is unprecedented for BP/transition metal dichalcogenides heterostructures. The BP/WS 2 van der Waals p-n diodes have a profound potential to fabricate rectifiers, solar cells, and photovoltaic diodes in 2D semiconductor electronics and optoelectronics.

  3. Structure and properties of fullerene molecular crystals with linear-scaling van der Waals density functional theory

    NASA Astrophysics Data System (ADS)

    Mostofi, Arash; Andrinopoulos, Lampros; Hine, Nicholas

    2014-03-01

    Fullerene molecular crystals are of technological promise for their use in heterojunction photovoltaic cells. An improved theoretical understanding of their structure and properties would be a step towards the rational design of new devices. Simulations based on density-functional theory (DFT) are invaluable for developing such insight, but standard semi-local functionals do not capture the important inter-molecular van der Waals (vdW) interactions in fullerene crystals. Furthermore the computational cost associated with the large unit cells needed are at the limit or beyond the capabilities of traditional DFT methods. In this work we overcome these limitations by using our implementation of a number of vdW-DFs in the ONETEP linear-scaling DFT code to study the structural properties of C60 molecular crystals. Powder neutron diffraction shows that the low-temperature Pa-3 phase is orientationally ordered with individual C60 units rotated around the [111] direction. We fully explore the energy landscape associated with the rotation angle and find two stable structures that are energetically very close, one of which corresponds to the experimentally observed structure. We further consider the effect of orientational disorder in very large supercells of thousands of atoms.

  4. New solar selective coating based on carbon nanotubes

    NASA Astrophysics Data System (ADS)

    Abendroth, Thomas; Leupolt, Beate; Mäder, Gerrit; Härtel, Paul; Grählert, Wulf; Althues, Holger; Kaskel, Stefan; Beyer, Eckhard

    2016-05-01

    Carbon nanotubes (CNTs) can be applied to assemble a new type of solar selective coating system for solar thermal applications. In this work the predominant absorption processes occurring by interaction with π-plasmon and Van Hove singularities (VHS) were investigated by UV-VIS-NIR spectroscopy and ellipsometry. Not only optical properties for as deposited SWCNT thin films itself, but also the potential for systematic tailoring will be presented. Besides low cost technologies required, the adjustability of optical properties, as well as their thermal stability render CNT based solar selective coatings as promising alternative to commercially available coating systems.

  5. Ion-ion dynamic structure factor, acoustic modes, and equation of state of two-temperature warm dense aluminum

    NASA Astrophysics Data System (ADS)

    Harbour, L.; Förster, G. D.; Dharma-wardana, M. W. C.; Lewis, Laurent J.

    2018-04-01

    The ion-ion dynamical structure factor and the equation of state of warm dense aluminum in a two-temperature quasiequilibrium state, with the electron temperature higher than the ion temperature, are investigated using molecular-dynamics simulations based on ion-ion pair potentials constructed from a neutral pseudoatom model. Such pair potentials based on density functional theory are parameter-free and depend directly on the electron temperature and indirectly on the ion temperature, enabling efficient computation of two-temperature properties. Comparison with ab initio simulations and with other average-atom calculations for equilibrium aluminum shows good agreement, justifying a study of quasiequilibrium situations. Analyzing the van Hove function, we find that ion-ion correlations vanish in a time significantly smaller than the electron-ion relaxation time so that dynamical properties have a physical meaning for the quasiequilibrium state. A significant increase in the speed of sound is predicted from the modification of the dispersion relation of the ion acoustic mode as the electron temperature is increased. The two-temperature equation of state including the free energy, internal energy, and pressure is also presented.

  6. Equivalence of Brownian dynamics and dynamic Monte Carlo simulations in multicomponent colloidal suspensions.

    PubMed

    Cuetos, Alejandro; Patti, Alessandro

    2015-08-01

    We propose a simple but powerful theoretical framework to quantitatively compare Brownian dynamics (BD) and dynamic Monte Carlo (DMC) simulations of multicomponent colloidal suspensions. By extending our previous study focusing on monodisperse systems of rodlike colloids, here we generalize the formalism described there to multicomponent colloidal mixtures and validate it by investigating the dynamics in isotropic and liquid crystalline phases containing spherical and rodlike particles. In order to investigate the dynamics of multicomponent colloidal systems by DMC simulations, it is key to determine the elementary time step of each species and establish a unique timescale. This is crucial to consistently study the dynamics of colloidal particles with different geometry. By analyzing the mean-square displacement, the orientation autocorrelation functions, and the self part of the van Hove correlation functions, we show that DMC simulation is a very convenient and reliable technique to describe the stochastic dynamics of any multicomponent colloidal system. Our theoretical formalism can be easily extended to any colloidal system containing size and/or shape polydisperse particles.

  7. From elemental tellurium to Ge2Sb2Te5 melts: High temperature dynamic and relaxation properties in relationship with the possible fragile to strong transition

    NASA Astrophysics Data System (ADS)

    Flores-Ruiz, H.; Micoulaut, M.

    2018-01-01

    We investigate the dynamic properties of Ge-Sb-Te phase change melts using first principles molecular dynamics with a special emphasis on the effect of tellurium composition on melt dynamics. From structural models and trajectories established previously [H. Flores-Ruiz et al., Phys. Rev. B 92, 134205 (2015)], we calculate the diffusion coefficients for the different species, the activation energies for diffusion, the Van Hove correlation, and the intermediate scattering functions able to substantiate the dynamics and relaxation behavior of the liquids as a function of temperature and composition that is also compared to experiment whenever possible. We find that the diffusion is mostly Arrhenius-like and that the addition of Ge/Sb atoms leads to a global decrease of the jump probability and to an increase in activated dynamics for diffusion. Relaxation behavior is analyzed and used in order to evaluate the possibility of a fragile to strong transition that is evidenced from the calculated high fragility (M = 129) of Ge2Sb2Te5 at high temperatures.

  8. Obituary: James Alfred Van Allen, 1914-2006

    NASA Astrophysics Data System (ADS)

    Ludwig, George H.; McIlwain, Carl Edwin

    2006-12-01

    James Alfred Van Allen, world-renowned space scientist, died 9 August 2006 at the age of ninety-one. He succumbed to heart failure after a ten-week period of declining health. Van Allen served for his entire sixty-seven-year professional career as an amazingly productive researcher, space science spokesman, inspired teacher, and valued colleague. The realization by him and his associates that charged particles are trapped by the Earth's magnetic field began a whole new field of research, magnetospheric physics. Following that initial discovery, he and his associates quickly extended their observations, first to the inner planets, and then to the rest of the planets and beyond. During his tenure at Iowa, he and his group flew instruments on more than sixty successful Earth satellites and planetary spacecraft, including the first missions to the planets Venus, Mars, Jupiter, Saturn, Uranus, and Neptune. Van Allen's lifetime publication list numbers more than 275, of which many are widely-cited, seminal papers. He was the sole author of more than 125 of those papers. Beyond the research laboratory, Van Allen worked energetically throughout his career in establishing space research as a new branch of human inquiry. He was among the most sought-after as a committee member and adviser, working at the highest levels of government, including the White House and Congress, and at all levels of the national and international research establishments. Many presentations in the non-scientific arena helped to bring the exciting discoveries and challenges of space research to the attention of the general public. James Van Allen (Van to his many friends and colleagues) was born on 7 September 1914 on a small farm near Mount Pleasant, Iowa, the second of four sons of Alfred Morris Van Allen and Alma Olney Van Allen. After high school in Mount Pleasant, he entered Iowa Wesleyan College, majoring in physics and graduating summa cum laude. While there, he was introduced to geophysics

  9. Van Allen Probes Science Gateway: A Centralized Data Access Point

    NASA Astrophysics Data System (ADS)

    Romeo, G.; Barnes, R. J.; Ukhorskiy, A. Y.; Sotirelis, T.; Stephens, G. K.; Kessel, R.; Potter, M.

    2015-12-01

    The Van Allen Probes Science Gateway acts a centralized interface to the instrument Science Operation Centers (SOCs), provides mission planning tools, and hosts a number of science related activities such as the mission bibliography. Most importantly, the Gateway acts as the primary site for processing and delivering the Van Allen Probes Space Weather data to users. Over the past years, the web-site has been completely redesigned with the focus on easier navigation and improvements of the existing tools such as the orbit plotter, position calculator and magnetic footprint tool. In addition, a new data plotting facility has been added. Based on HTML5, which allows users to interactively plot Van Allen Probes science and space weather data. The user can tailor the tool to display exactly the plot they wish to see and then share this with other users via either a URL or by QR code. Various types of plots can be created, including, simple time series, data plotted as a function of orbital location, and time versus L-Shell, capability of visualizing data from both probes (A & B) on the same plot. In cooperation with all Van Allen Probes Instrument SOCs, the Science Gateway will soon be able to serve higher level data products (Level 3), and to visualize them via the above mentioned HTML5 interface. Users will also be able to create customized CDF files on the fly.

  10. Holographic Van der Waals phase transition of the higher-dimensional electrically charged hairy black hole

    NASA Astrophysics Data System (ADS)

    Li, Hui-Ling; Feng, Zhong-Wen; Zu, Xiao-Tao

    2018-01-01

    With motivation by holography, employing black hole entropy, two-point connection function and entanglement entropy, we show that, for the higher-dimensional Anti-de Sitter charged hairy black hole in the fixed charged ensemble, a Van der Waals-like phase transition can be observed. Furthermore, based on the Maxwell equal-area construction, we check numerically the equal-area law for a first order phase transition in order to further characterize the Van der Waals-like phase transition.

  11. The nonlinear effect of resistive inhomogeneities on van der Pauw measurements

    NASA Astrophysics Data System (ADS)

    Koon, Daniel W.

    2005-03-01

    The resistive weighting function [D. W. Koon and C. J. Knickerbocker, Rev. Sci. Instrum. 63, 207 (1992)] quantifies the effect of small local inhomogeneities on van der Pauw resistivity measurements, but assumes such effects to be linear. This talk will describe deviations from linearity for a square van der Pauw geometry, modeled using a 5 x 5 grid network of discrete resistors and introducing both positive and negative perturbations to local resistors, covering nearly two orders of magnitude in -δρ/ρ or -δσ/σ. While there is a relatively modest quadratic nonlinearity for inhomogeneities of decreasing conductivity, the nonlinear term for inhomogeneities of decreasing resistivity is approximately cubic and can exceed the linear term.

  12. Dancing bunches as Van Kampen modes

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Burov, A.; /Fermilab

    2011-03-01

    Van Kampen modes are eigen-modes of Jeans-Vlasov equation [1-3]. Their spectrum consists of continuous and, possibly, discrete parts. Onset of a discrete van Kampen mode means emergence of a coherent mode without any Landau damping; thus, even a tiny couple-bunch wake is sufficient to drive instability. Longitudinal instabilities observed at Tevatron [4], RHIC [5] and SPS [6] can be explained as loss of Landau damping (LLD), which is shown here to happen at fairly low impedances. For repulsive wakes and single-harmonic RF, LLD is found to be extremely sensitive to steepness of the bunch distribution function at small amplitudes. Basedmore » on that, a method of beam stabilization is suggested. Emergence of a discrete van Kampen mode means either loss of Landau damping or instability. Longitudinal bunch stability is analysed in weak head-tail approximation for inductive impedance and single-harmonic RF. The LLD threshold intensities are found to be rather low: for cases under study all of them do not exceed a few percent of the zero-amplitude incoherent synchrotron frequency shift, strongly decreasing for shorter bunches. Because of that, LLD can explain longitudinal instabilities happened at fairly low impedances at Tevatron [4], and possibly for RHIC [5] and SPS [6], being in that sense an alternative to the soliton explanation [5, 20]. Although LLD itself results in many cases in emergence of a mode with zero growth rate, any couple-bunch (and sometimes multi-turn) wake would drive instability for that mode, however small this wake is. LLD is similar to a loss of immune system of a living cell, when any microbe becomes fatal for it. The emerging discrete mode is normally very different from the rigid-bunch motion; thus the rigid-mode model significantly overestimates the LLD threshold. The power low of LLD predicted in Ref. [17] agrees with results of this paper. However, the numerical factor in that scaling low strongly depends on the bunch distribution

  13. Consequences of the Introduction of Insensitive Munitions on Safety, Collateral Damage and Operations (consequenties van de invoering van mkm-munitie op veiligheid, gevolgschade en (internationaal) opereren

    DTIC Science & Technology

    2006-06-01

    van de werkzaamheden In dit rapport worden de gevolgen van initiatie van munitie door een ongewilde externe stimulus beschouwd aan de hand van reele...operationele scenario’s. Dit wordt vergeleken met de gevolgen in dezelfde scenario’s, waarin gebruik is gemaakt van Minder Kwetsbare Munitie (MKM). Naast...de historie van MKM wordt uitgelegd wat Inleiding of terroristische activiteiten, maar ook door MKM is. Vervolgens worden de gevolgen Munitie en de

  14. Van Allen Probes Science Gateway and Space Weather Data Processing

    NASA Astrophysics Data System (ADS)

    Romeo, G.; Barnes, R. J.; Weiss, M.; Fox, N. J.; Mauk, B.; Potter, M.; Kessel, R.

    2014-12-01

    The Van Allen Probes Science Gateway acts as a centralized interface to the instrument Science Operation Centers (SOCs), provides mission planning tools, and hosts a number of science related activities such as the mission bibliography. Most importantly, the Gateway acts as the primary site for processing and delivering the VAP Space Weather data to users. Over the past year, the web-site has been completely redesigned with the focus on easier navigation and improvements of the existing tools such as the orbit plotter, position calculator and magnetic footprint tool. In addition, a new data plotting facility has been added. Based on HTML5, which allows users to interactively plot Van Allen Probes summary and space weather data. The user can tailor the tool to display exactly the plot they wish to see and then share this with other users via either a URL or by QR code. Various types of plots can be created, including simple time series, data plotted as a function of orbital location, and time versus L-Shell. We discuss the new Van Allen Probes Science Gateway and the Space Weather Data Pipeline.

  15. Dispersive Sachdev-Ye-Kitaev model: Band structure and quantum chaos

    NASA Astrophysics Data System (ADS)

    Zhang, Pengfei

    2017-11-01

    The Sachdev-Ye-Kitaev (SYK) model is a concrete model for a non-Fermi liquid with maximally chaotic behavior in (0 +1 ) dimensions. In order to gain some insights into real materials in higher dimensions where fermions could hop between different sites, here we consider coupling a SYK lattice by constant hopping. We call this the dispersive SYK model. Focusing on (1 +1 ) -dimensional homogeneous hopping, by either tuning the temperature or the relative strength of the random interaction (hopping) and constant hopping, we find a crossover between a dispersive metal to an incoherent metal, where the dynamic exponent z changes from 1 to ∞ . We study the crossover by calculating the spectral function, charge density correlator, and the Lyapunov exponent. We further find the Lyapunov exponent becomes larger when the chemical potential is tuned to approach a van Hove singularity because of the large density of states near the Fermi surface. The effect of the topological nontrivial bands is also discussed.

  16. Structural ordering at solid-liquid interfaces in Al-Sm system: A molecular-dynamics study

    DOE PAGES

    Sun, Yang; Zhang, Feng; Ye, Zhuo; ...

    2016-07-12

    The structural ordering at solid-liquid interfaces far from equilibrium is studied with molecular dynamics simulations for the Al-Sm system. Using the van-Hove self-correlation function as the criterion to identify attachment/detachment events that occur at the interface, we are able to determine the time-dependent interface position, and characterize the detailed interfacial structure ordering surrounding the attached atoms. For the interface between an undercooled Al90Sm10 liquid and a metastable cubic structure, the solid induces the crystalline order of the cubic phase in the liquid layers, promoting the continuous growth of the crystal phase. When the same liquid is put in contact withmore » f.c.c. Al, Sm from the liquid can still attach to the solid interface despite its insolubility in the Al lattice. Non-f.c.c. order is revealed surrounding the attached Sm atoms. Lastly, we show that the local structure ordering at interface is highly correlated to solid packing and liquid ordering.« less

  17. Diverse magnetic quantization in bilayer silicene

    NASA Astrophysics Data System (ADS)

    Do, Thi-Nga; Shih, Po-Hsin; Gumbs, Godfrey; Huang, Danhong; Chiu, Chih-Wei; Lin, Ming-Fa

    2018-03-01

    The generalized tight-binding model is developed to investigate the rich and unique electronic properties of A B -bt (bottom-top) bilayer silicene under uniform perpendicular electric and magnetic fields. The first pair of conduction and valence bands, with an observable energy gap, displays unusual energy dispersions. Each group of conduction/valence Landau levels (LLs) is further classified into four subgroups, i.e., the sublattice- and spin-dominated LL subgroups. The magnetic-field-dependent LL energy spectra exhibit irregular behavior corresponding to the critical points of the band structure. Moreover, the electric field can induce many LL anticrossings. The main features of the LLs are uncovered with many van Hove singularities in the density-of-states and nonuniform delta-function-like peaks in the magnetoabsorption spectra. The feature-rich magnetic quantization directly reflects the geometric symmetries, intralayer and interlayer atomic interactions, spin-orbital couplings, and field effects. The results of this work can be applied to novel designs of Si-based nanoelectronics and nanodevices with enhanced mobilities.

  18. Chlorhexidine Induces VanA-Type Vancomycin Resistance Genes in Enterococci

    PubMed Central

    Bhardwaj, Pooja; Ziegler, Elizabeth

    2016-01-01

    Chlorhexidine is a bisbiguanide antiseptic used for infection control. Vancomycin-resistant E. faecium (VREfm) is among the leading causes of hospital-acquired infections. VREfm may be exposed to chlorhexidine at supra- and subinhibitory concentrations as a result of chlorhexidine bathing and chlorhexidine-impregnated central venous catheter use. We used RNA sequencing to investigate how VREfm responds to chlorhexidine gluconate exposure. Among the 35 genes upregulated ≥10-fold after 15 min of exposure to the MIC of chlorhexidine gluconate were those encoding VanA-type vancomycin resistance (vanHAX) and those associated with reduced daptomycin susceptibility (liaXYZ). We confirmed that vanA upregulation was not strain or species specific by querying other VanA-type VRE. VanB-type genes were not induced. The vanH promoter was found to be responsive to subinhibitory chlorhexidine gluconate in VREfm, as was production of the VanX protein. Using vanH reporter experiments with Bacillus subtilis and deletion analysis in VREfm, we found that this phenomenon is VanR dependent. Deletion of vanR did not result in increased chlorhexidine susceptibility, demonstrating that vanHAX induction is not protective against chlorhexidine. As expected, VanA-type VRE is more susceptible to ceftriaxone in the presence of sub-MIC chlorhexidine. Unexpectedly, VREfm is also more susceptible to vancomycin in the presence of subinhibitory chlorhexidine, suggesting that chlorhexidine-induced gene expression changes lead to additional alterations in cell wall synthesis. We conclude that chlorhexidine induces expression of VanA-type vancomycin resistance genes and genes associated with daptomycin nonsusceptibility. Overall, our results indicate that the impacts of subinhibitory chlorhexidine exposure on hospital-associated pathogens should be further investigated in laboratory studies. PMID:26810654

  19. Emergence of vanA Enterococcus faecium in Denmark, 2005-15.

    PubMed

    Hammerum, Anette M; Baig, Sharmin; Kamel, Yasmin; Roer, Louise; Pinholt, Mette; Gumpert, Heidi; Holzknecht, Barbara; Røder, Bent; Justesen, Ulrik S; Samulioniené, Jurgita; Kjærsgaard, Mona; Østergaard, Claus; Holm, Anette; Dzajic, Esad; Søndergaard, Turid Snekloth; Gaini, Shahin; Edquist, Petra; Alm, Erik; Lilje, Berit; Westh, Henrik; Stegger, Marc; Hasman, Henrik

    2017-08-01

    To describe the changing epidemiology of vancomycin-resistant Enterococcus faecium and Enterococcus faecalis in clinical samples in Denmark 2005-15 according to species and van type, and, furthermore, to investigate the genetic relatedness of the clinical E. faecium isolates from 2015. During 2005-14, all clinical VRE isolates were tested for the presence of vanA/B/C genes by PCR. In 2015, all clinical VRE isolates were whole-genome sequenced. From the WGS data, the presence of van genes and MLST STs were extracted in silico . Core-genome MLST (cgMLST) analysis was performed for the vancomycin-resistant E. faecium isolates. During 2005-15, 1043 vanA E. faecium , 25 vanB E. faecium , 4 vanA E. faecalis and 28 vanB E. faecalis were detected. The number of VRE was <50 isolates/year until 2012 to > 200 isolates/year in 2013-15. In 2015, 368 vanA E. faecium and 1 vanB E. faecium were detected along with 1 vanA E. faecalis and 1 vanB E. faecalis . cgMLST subdivided the 368 vanA E. faecium isolates into 33 cluster types (CTs), whereas the vanB E. faecium isolate belonged to a different CT. ST203-CT859 was most prevalent (51%), followed by ST80-CT14 (22%), ST117-CT24 (6%), ST80-CT866 (4%) and ST80-CT860 (2%). Comparison with the cgMLST.org database, previous studies and personal communications with neighbouring countries revealed that the novel cluster ST203-CT859 emerged in December 2014 and spread to the south of Sweden and the Faroe Islands during 2015. VRE increased in Denmark during 2005-15 due to the emergence of several vanA E. faecium clones. © The Author 2017. Published by Oxford University Press on behalf of the British Society for Antimicrobial Chemotherapy. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

  20. van der Waals criticality in AdS black holes: A phenomenological study

    NASA Astrophysics Data System (ADS)

    Bhattacharya, Krishnakanta; Majhi, Bibhas Ranjan; Samanta, Saurav

    2017-10-01

    Anti-de Sitter black holes exhibit van der Waals-type phase transition. In the extended phase-space formalism, the critical exponents for any spacetime metric are identical to the standard ones. Motivated by this fact, we give a general expression for the Helmholtz free energy near the critical point, which correctly reproduces these exponents. The idea is similar to the Landau model, which gives a phenomenological description of the usual second-order phase transition. Here, two main inputs are taken into account for the analysis: (a) black holes should have van der Waals-like isotherms, and (b) free energy can be expressed solely as a function of thermodynamic volume and horizon temperature. Resulting analysis shows that the form of Helmholtz free energy correctly encapsulates the features of the Landau function. We also discuss the isolated critical point accompanied by nonstandard values of critical exponents. The whole formalism is then extended to two other criticalities, namely, Y -X and T -S (based on the standard; i.e., nonextended phase space), where X and Y are generalized force and displacement, whereas T and S are the horizon temperature and entropy. We observe that in the former case Gibbs free energy plays the role of Landau function, whereas in the later case, that role is played by the internal energy (here, it is the black hole mass). Our analysis shows that, although the existence of a van der Waals phase transition depends on the explicit form of the black hole metric, the values of the critical exponents are universal in nature.

  1. A Conversation with William Van Til.

    ERIC Educational Resources Information Center

    Beineke, John A.

    1989-01-01

    Reports an interview with William Van Til, Coffman Distinguished Professor Emeritus of Education at Indiana State University (Terre Haute). Van Til reviews his career as a social studies teacher and his writings on curriculum and social foundations. Presents his opinions on progressive education, famous educators, educational history and reform,…

  2. Additional Value from Road Mapping in Defense Policy Making (meerwaarde van roadmapping bij beleidsontwikkeling van de koninklijke landmacht)

    DTIC Science & Technology

    2006-05-01

    van zogonaamde strategische reserves tot bijvaarbeeld lakaal boschikbare gevechtscapacitoit. 9 11 Joint. Do Nederlandse krijgsmacht ontwikkelt zich tot...8 2 W erkwijze van de KL tot nu toe ............................................................................... 9 2.1 O...ntwikkeling visiedocurnent ....................................................................................... 9 2.2 Opzet beleid- en deelstudies

  3. Redox levels in aqueous solution: Effect of van der Waals interactions and hybrid functionals

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Ambrosio, Francesco, E-mail: Francesco.Ambrosio@epfl.ch; Miceli, Giacomo; Pasquarello, Alfredo

    2015-12-28

    We investigate redox levels in aqueous solution using a combination of ab initio molecular dynamics (MD) simulations and thermodynamic integration methods. The molecular dynamics are performed with both the semilocal Perdew-Burke-Ernzerhof functional and a nonlocal functional (rVV10) accounting for van der Waals (vdW) interactions. The band edges are determined through three different schemes, namely, from the energy of the highest occupied and of the lowest unoccupied Kohn-Sham states, from total-energy differences, and from a linear extrapolation of the density of states. It is shown that the latter does not depend on the system size while the former two are subjectmore » to significant finite-size effects. For the redox levels, we provide a formulation in analogy to the definition of charge transition levels for defects in crystalline materials. We consider the H{sup +}/H{sub 2} level defining the standard hydrogen electrode, the OH{sup −}/OH{sup ∗} level corresponding to the oxidation of the hydroxyl ion, and the H{sub 2}O/OH{sup ∗} level for the dehydrogenation of water. In spite of the large structural modifications induced in liquid water, vdW interactions do not lead to any significant structural effect on the calculated band gap and band edges. The effect on the redox levels is also small since the solvation properties of ionic species are little affected by vdW interactions. Since the electronic properties are not significantly affected by the underlying structural properties, it is justified to perform hybrid functional calculations on the configurations of our MD simulations. The redox levels calculated as a function of the fraction α of Fock exchange are found to remain constant, reproducing a general behavior previously observed for charge transition levels of defects. Comparison with experimental values shows very good agreement. At variance, the band edges and the band gap evolve linearly with α. For α ≃ 0.40, we achieve a band gap

  4. Redox levels in aqueous solution: Effect of van der Waals interactions and hybrid functionals.

    PubMed

    Ambrosio, Francesco; Miceli, Giacomo; Pasquarello, Alfredo

    2015-12-28

    We investigate redox levels in aqueous solution using a combination of ab initio molecular dynamics (MD) simulations and thermodynamic integration methods. The molecular dynamics are performed with both the semilocal Perdew-Burke-Ernzerhof functional and a nonlocal functional (rVV10) accounting for van der Waals (vdW) interactions. The band edges are determined through three different schemes, namely, from the energy of the highest occupied and of the lowest unoccupied Kohn-Sham states, from total-energy differences, and from a linear extrapolation of the density of states. It is shown that the latter does not depend on the system size while the former two are subject to significant finite-size effects. For the redox levels, we provide a formulation in analogy to the definition of charge transition levels for defects in crystalline materials. We consider the H(+)/H2 level defining the standard hydrogen electrode, the OH(-)/OH(∗) level corresponding to the oxidation of the hydroxyl ion, and the H2O/OH(∗) level for the dehydrogenation of water. In spite of the large structural modifications induced in liquid water, vdW interactions do not lead to any significant structural effect on the calculated band gap and band edges. The effect on the redox levels is also small since the solvation properties of ionic species are little affected by vdW interactions. Since the electronic properties are not significantly affected by the underlying structural properties, it is justified to perform hybrid functional calculations on the configurations of our MD simulations. The redox levels calculated as a function of the fraction α of Fock exchange are found to remain constant, reproducing a general behavior previously observed for charge transition levels of defects. Comparison with experimental values shows very good agreement. At variance, the band edges and the band gap evolve linearly with α. For α ≃ 0.40, we achieve a band gap, band-edge positions, and redox levels in

  5. Redox levels in aqueous solution: Effect of van der Waals interactions and hybrid functionals

    NASA Astrophysics Data System (ADS)

    Ambrosio, Francesco; Miceli, Giacomo; Pasquarello, Alfredo

    2015-12-01

    We investigate redox levels in aqueous solution using a combination of ab initio molecular dynamics (MD) simulations and thermodynamic integration methods. The molecular dynamics are performed with both the semilocal Perdew-Burke-Ernzerhof functional and a nonlocal functional (rVV10) accounting for van der Waals (vdW) interactions. The band edges are determined through three different schemes, namely, from the energy of the highest occupied and of the lowest unoccupied Kohn-Sham states, from total-energy differences, and from a linear extrapolation of the density of states. It is shown that the latter does not depend on the system size while the former two are subject to significant finite-size effects. For the redox levels, we provide a formulation in analogy to the definition of charge transition levels for defects in crystalline materials. We consider the H+/H2 level defining the standard hydrogen electrode, the OH-/OH∗ level corresponding to the oxidation of the hydroxyl ion, and the H2O/OH∗ level for the dehydrogenation of water. In spite of the large structural modifications induced in liquid water, vdW interactions do not lead to any significant structural effect on the calculated band gap and band edges. The effect on the redox levels is also small since the solvation properties of ionic species are little affected by vdW interactions. Since the electronic properties are not significantly affected by the underlying structural properties, it is justified to perform hybrid functional calculations on the configurations of our MD simulations. The redox levels calculated as a function of the fraction α of Fock exchange are found to remain constant, reproducing a general behavior previously observed for charge transition levels of defects. Comparison with experimental values shows very good agreement. At variance, the band edges and the band gap evolve linearly with α. For α ≃ 0.40, we achieve a band gap, band-edge positions, and redox levels in overall

  6. Transient aerodynamic characteristics of vans during the accelerated overtaking process

    NASA Astrophysics Data System (ADS)

    Liu, Li-ning; Wang, Xing-shen; Du, Guang-sheng; Liu, Zheng-gang; Lei, Li

    2018-04-01

    This paper studies the influence of the accelerated overtaking process on the vehicles' transient aerodynamic characteristics, through 3-D numerical simulations with dynamic meshes and sliding interface technique. Numerical accuracy is verified by experimental results. The aerodynamic characteristics of vehicles in the uniform overtaking process and the accelerated overtaking process are compared. It is shown that the speed variation of the overtaking van would influence the aerodynamic characteristics of the two vans, with greater influence on the overtaken van than on the overtaking van. The simulations of three different accelerated overtaking processes show that the greater the acceleration of the overtaking van, the larger the aerodynamic coefficients of the overtaken van. When the acceleration of the overtaking van increases by 1 m/s2, the maximum drag force, side force and yawing moment coefficients of the overtaken van all increase by more than 6%, to seriously affect the power performance and the stability of the vehicles. The analysis of the pressure fields under different accelerated conditions reveals the cause of variations of the aerodynamic characteristics of vehicles.

  7. Phosphorus allotropes: Stability of black versus red phosphorus re-examined by means of the van der Waals inclusive density functional method

    NASA Astrophysics Data System (ADS)

    Aykol, Muratahan; Doak, Jeff W.; Wolverton, C.

    2017-06-01

    We evaluate the energetic stabilities of white, red, and black allotropes of phosphorus using density functional theory (DFT) and hybrid functional methods, van der Waals (vdW) corrections (DFT+vdW and hybrid+vdW), vdW density functionals, and random phase approximation (RPA). We find that stability of black phosphorus over red-V (i.e., the violet form) is not ubiquitous among these methods, and the calculated enthalpies for the reaction phosphorus (red-V)→phosphorus (black) are scattered between -20 and 40 meV/atom. With local density and generalized gradient approximations, and hybrid functionals, mean absolute errors (MAEs) in densities of P allotropes relative to experiments are found to be around 10%-25%, whereas with vdW-inclusive methods, MAEs in densities drop below ˜5 %. While the inconsistency among the density functional methods could not shed light on the stability puzzle of black versus red phosphorus, comparison of their accuracy in predicting densities and the supplementary RPA results on relative stabilities indicate that opposite to the common belief, black and red phosphorus are almost degenerate, or the red-V (violet) form of phosphorus might even be the ground state.

  8. Extent of Fock-exchange mixing for a hybrid van der Waals density functional?

    NASA Astrophysics Data System (ADS)

    Jiao, Yang; Schröder, Elsebeth; Hyldgaard, Per

    2018-05-01

    The vdW-DF-cx0 exchange-correlation hybrid design [K. Berland et al., J. Chem. Phys. 146, 234106 (2017)] has a truly nonlocal correlation component and aims to facilitate concurrent descriptions of both covalent and non-covalent molecular interactions. The vdW-DF-cx0 design mixes a fixed ratio, a, of the Fock exchange into the consistent-exchange van der Waals density functional, vdW-DF-cx [K. Berland and P. Hyldgaard, Phys. Rev. B 89, 035412 (2014)]. The mixing value a is sometimes taken as a semi-empirical parameter in hybrid formulations. Here, instead, we assert a plausible optimum average a value for the vdW-DF-cx0 design from a formal analysis; A new, independent determination of the mixing a is necessary since the Becke fit [A. D. Becke, J. Chem. Phys. 98, 5648 (1993)], yielding a' = 0.2, is restricted to semilocal correlation and does not reflect non-covalent interactions. To proceed, we adapt the so-called two-legged hybrid construction [K. Burke et al., Chem. Phys. Lett. 265, 115 (1997)] to a starting point in the vdW-DF-cx functional. For our approach, termed vdW-DF-tlh, we estimate the properties of the adiabatic-connection specification of the exact exchange-correlation functional, by combining calculations of the Fock exchange and of the coupling-constant variation in vdW-DF-cx. We find that such vdW-DF-tlh hybrid constructions yield accurate characterizations of molecular interactions (even if they lack self-consistency). The accuracy motivates trust in the vdW-DF-tlh determination of system-specific values of the Fock-exchange mixing. We find that an average value a' = 0.2 best characterizes the vdW-DF-tlh description of covalent and non-covalent interactions, although there exists some scatter. This finding suggests that the original Becke value, a' = 0.2, also represents an optimal average Fock-exchange mixing for the new, truly nonlocal-correlation hybrids. To enable self-consistent calculations, we furthermore define and test a zero

  9. Engineered circuit QED with dense resonant modes

    NASA Astrophysics Data System (ADS)

    Wilhelm, Frank; Egger, Daniel

    2013-03-01

    In circuit quantum electrodynamics even in the ultrastrong coupling regime, strong quasi-resonant interaction typically involves only one mode of the resonator as the mode spacing is comparable to the frequency of the mode. We are going to present an engineered hybrid transmission line consisting of a left-handed and a right-handed portion that has a low-frequency van-Hove singularity hence showing a dense mode spectrum at an experimentally accessible point. This gives rise to strong multi-mode coupling and can be utilized in multiple ways to create strongly correlated microwave photons. Supported by DARPA through the QuEST program and by NSERC Discovery grants

  10. Van der Waals interaction in uniaxial anisotropic media.

    PubMed

    Kornilovitch, Pavel E

    2013-01-23

    Van der Waals interactions between flat surfaces in uniaxial anisotropic media are investigated in the nonretarded limit. The main focus is the effect of nonzero tilt between the optical axis and the surface normal on the strength of the van der Waals attraction. General expressions for the van der Waals free energy are derived using the surface mode method and the transfer-matrix formalism. To facilitate numerical calculations a temperature-dependent three-band parameterization of the dielectric tensor of the liquid crystal 5CB is developed. A solid slab immersed in a liquid crystal experiences a van der Waals torque that aligns the surface normal relative to the optical axis of the medium. The preferred orientation is different for different materials. Two solid slabs in close proximity experience a van der Waals attraction that is strongest for homeotropic alignment of the intervening liquid crystal for all the materials studied. The results have implications for the stability of plate-like colloids in liquid crystal hosts.

  11. Spectral asymmetry of atoms in the van der Waals potential of an optical nanofiber

    NASA Astrophysics Data System (ADS)

    Patterson, B. D.; Solano, P.; Julienne, P. S.; Orozco, L. A.; Rolston, S. L.

    2018-03-01

    We measure the modification of the transmission spectra of cold 87Rb atoms in the proximity of an optical nanofiber (ONF). Van der Waals interactions between the atoms an the ONF surface decrease the resonance frequency of atoms closer to the surface. An asymmetric spectra of the atoms holds information of their spatial distribution around the ONF. We use a far-detuned laser beam coupled to the ONF to thermally excite atoms at the ONF surface. We study the change of transmission spectrum of these atoms as a function of heating laser power. A semiclassical phenomenological model for the thermal excitation of atoms in the atom-surface van der Waals bound states is in good agreement with the measurements. This result suggests that van der Waals potentials could be used to trap and probe atoms at few nanometers from a dielectric surface, a key tool for hybrid photonic-atomic quantum systems.

  12. Margaret Cavendish's materialist critique of van Helmontian chymistry.

    PubMed

    Clucas, Stephen

    2011-03-01

    A striking omission in the scholarship on the reception of the chymical philosophy of Jan Baptista van Helmont in England in the seventeenth century is the work of the mid-seventeenth-century natural philosopher Margaret Cavendish, Duchess of Newcastle. In her Philosophical Letters (1664), Cavendish offers an extended critique of Van Helmont's work (whose Ortus Medicince had recently been translated into English by John Sadler). In this paper, I compare Cavendish's criticisms with those of Robert Boyle in his Sceptical Chymist (1661). Both Boyle and Cavendish attacked Van Helmont for the obscurity of his chymical vocabulary and concepts, and attacked his seminalism. Although their critiques had much in common, they diverged in their attitudes to Van Helmont's experiments. As an opponent of the experimental philosophy, Cavendish had little interest in the quality of Van Helmont's experimental claims, whereas Boyle was critical of their unreplicability. I also try to show that the two writers had very different polemical agendas, with Boyle defending his vision of chymistry based on a corpuscularian natural philosophy, and Cavendish being as much concerned with establishing her religious orthodoxy as with defending the truth claims of her own materialist vitalism. For Cavendish, Van Helmont was an example of the dangers of mingling theology and natural philosophy.

  13. Van Go: A Labor of Love

    ERIC Educational Resources Information Center

    Williams, Jennifer

    2012-01-01

    Like a tapestry woven with one outstanding thread from beginning to end, the author's forty-year tenure as an art educator has its golden thread in her Van Go art outreach project. Quite literally, she takes students in a "van" and they "go," mostly on dirt roads, taking art to rural schools in Idaho, some of which have no more…

  14. Isobaric first-principles molecular dynamics of liquid water with nonlocal van der Waals interactions

    NASA Astrophysics Data System (ADS)

    Miceli, Giacomo; de Gironcoli, Stefano; Pasquarello, Alfredo

    2015-01-01

    We investigate the structural properties of liquid water at near ambient conditions using first-principles molecular dynamics simulations based on a semilocal density functional augmented with nonlocal van der Waals interactions. The adopted scheme offers the advantage of simulating liquid water at essentially the same computational cost of standard semilocal functionals. Applied to the water dimer and to ice Ih, we find that the hydrogen-bond energy is only slightly enhanced compared to a standard semilocal functional. We simulate liquid water through molecular dynamics in the NpH statistical ensemble allowing for fluctuations of the system density. The structure of the liquid departs from that found with a semilocal functional leading to more compact structural arrangements. This indicates that the directionality of the hydrogen-bond interaction has a diminished role as compared to the overall attractions, as expected when dispersion interactions are accounted for. This is substantiated through a detailed analysis comprising the study of the partial radial distribution functions, various local order indices, the hydrogen-bond network, and the selfdiffusion coefficient. The explicit treatment of the van der Waals interactions leads to an overall improved description of liquid water.

  15. Genetics Home Reference: van der Woude syndrome

    MedlinePlus

    ... What is the prognosis of a genetic condition? Genetic and Rare Diseases Information Center Frequency Van der Woude syndrome is believed to occur in 1 in 35,000 to 1 in 100,000 people, based on data from Europe and Asia. Van der Woude syndrome ...

  16. UPS Hybrid Electric Delivery Van Testing | Transportation Research | NREL

    Science.gov Websites

    conventional diesel vans. Publications The following documents provide detailed information about the study the conventional vans during the on-road portion of the study. The two vehicle groups switched route assignments during the study period to provide a balanced review of the vans on the same routes. During

  17. Multiple hot-carrier collection in photo-excited graphene Moiré superlattices

    PubMed Central

    Wu, Sanfeng; Wang, Lei; Lai, You; Shan, Wen-Yu; Aivazian, Grant; Zhang, Xian; Taniguchi, Takashi; Watanabe, Kenji; Xiao, Di; Dean, Cory; Hone, James; Li, Zhiqiang; Xu, Xiaodong

    2016-01-01

    In conventional light-harvesting devices, the absorption of a single photon only excites one electron, which sets the standard limit of power-conversion efficiency, such as the Shockley-Queisser limit. In principle, generating and harnessing multiple carriers per absorbed photon can improve efficiency and possibly overcome this limit. We report the observation of multiple hot-carrier collection in graphene/boron-nitride Moiré superlattice structures. A record-high zero-bias photoresponsivity of 0.3 A/W (equivalently, an external quantum efficiency exceeding 50%) is achieved using graphene’s photo-Nernst effect, which demonstrates a collection of at least five carriers per absorbed photon. We reveal that this effect arises from the enhanced Nernst coefficient through Lifshtiz transition at low-energy Van Hove singularities, which is an emergent phenomenon due to the formation of Moiré minibands. Our observation points to a new means for extremely efficient and flexible optoelectronics based on van der Waals heterostructures. PMID:27386538

  18. Genetics Home Reference: Ellis-van Creveld syndrome

    MedlinePlus

    ... CREVELD SYNDROME Sources for This Page Baujat G, Le Merrer M. Ellis-van Creveld syndrome. Orphanet J Rare Dis. 2007 Jun ... CB, Kochilas L, Schimmenti LA, Moller JH. Ellis-van Creveld syndrome and congenital heart defects: presentation of an additional 32 cases. Pediatr Cardiol. 2011 Oct;32( ...

  19. Heath Van Essen

    EPA Pesticide Factsheets

    The EPA is providing notice of a proposed Administrative Penalty Assessment against Heath Van Essen, Respondent, an individual who owns or operates an animal feeding operation (“Facility”) that is located in Section 27 of Township 98 North, Range 47 West,

  20. 77 FR 14583 - Notice to Manufacturers of Alternative Fuel Vans

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-03-12

    ... Alternative Fuel Vans AGENCY: Federal Aviation Administration (FAA), U.S. DOT. ACTION: Notice to Manufacturers of Alternative Fuel Vans. SUMMARY: Projects funded under the Airport Improvement Program (AIP) must... (FAA) is considering issuing waivers to foreign manufacturers of alternative fuel vans. This notice...

  1. Obituary: Thomas C. Van Flandern (1940-2009)

    NASA Astrophysics Data System (ADS)

    Dunham, David; Slabinski, Victor

    2011-12-01

    Dr. Thomas Charles Van Flandern, an expert in celestial mechanics and cosmology, died January 9, 2009 in Seattle, Washington, of colon cancer. He was 68. Van Flandern was an astronomer at the U.S. Naval Observatory from 1963 to 1983. He developed software to predict and analyze lunar occultations to improve lunar orbital and fundamental star catalog data. In later years he championed increasingly controversial theories. But his 1978 prediction that some asteroids have natural satellites, which was almost universally rejected, was verified when the Galileo spacecraft photographed Dactyl, a satellite of (243) Ida, during its flyby in 1993. Besides astronomy and computers, he had strong interests in biochemistry and nutrition, and he ran a business selling personal computers in the 1980s. Tom Van Flandern was born June 26, 1940 in Cleveland, Ohio, the first child of Robert F. Van Flandern and Anna Mary Haley. His father, a police officer, left the family when Tom Van Flandern was 5. His mother died when he was 16; he and his siblings then lived with their grandmother, Margery Jobe, until he went to college. Tom Van Flandern became interested in astronomy as a child. He used his first telescope, purchased with newspaper delivery earnings, to observe lunar occultations, and then learned how to predict them, sparking a life-long passion for dynamical astronomy. While attending St. Ignatius High School, Van Flandern and fellow student Thomas Petrie organized the Cleveland Moonwatch team to observe the first artificial satellites, the only team without an adult organizer. In 1958, Tom Van Flandern entered Xavier University where he led the Cincinnati Moonwatch team. He learned computer programming at a summer job with General Electric and wrote software to calculate "look angles" from orbital elements. The Cincinnati team became a top producer of observations using these predictions. Tom obtained a B.S. in mathematics from Xavier in 1962. He spent the next year at

  2. The effects of van der Waals attractions on cloud droplet growth by coalescence

    NASA Technical Reports Server (NTRS)

    Rogers, Jan R.; Davis, Robert H.

    1990-01-01

    The inclusion of van der Waals attractions in the interaction between cloud droplets has been recently shown to significantly increase the collision efficiencies of the smaller droplets. In the current work, these larger values for the collision efficiencies are used in a population dynamics model of the droplet size distribution evolution with time, in hopes of at least partially resolving the long-standing paradox in cloud microphysics that predicted rates of the onset of precipitation are generally much lower than those which are observed. Evolutions of several initial cloud droplet spectra have been tracked in time. Size evolutions are compared as predicted from the use of collision efficiencies computed using two different models to allow for droplet-droplet contact: one which considers slip flow effects only, and one which considers the combined effects of van der Waals forces and slip flow. The rate at which the droplet mass density function shifts to larger droplet sizes is increased by typically 20-25 percent, when collision efficiencies which include van der Waals forces are used.

  3. Van der Waals model for phase transitions in thermoresponsive surface films.

    PubMed

    McCoy, John D; Curro, John G

    2009-05-21

    Phase transitions in polymeric surface films are studied with a simple model based on the van der Waals equation of state. Each chain is modeled by a single bead attached to the surface by an entropic-Hooke's law spring. The surface coverage is controlled by adjusting the chemical potential, and the equilibrium density profile is calculated with density functional theory. The interesting feature of this model is the multivalued nature of the density profile seen at low temperature. This van der Waals loop behavior is resolved with a Maxwell construction between a high-density phase near the wall and a low-density phase in a "vertical" phase transition. Signatures of the phase transition in experimentally measurable quantities are then found. Numerical calculations are presented for isotherms of surface pressure, for the Poisson ratio, and for the swelling ratio.

  4. Fabrication of functional ultrathin single-crystal nanowires from quasi-one dimensional van der Waals crystals Ta2(Pd or Pt)3Se8

    NASA Astrophysics Data System (ADS)

    Liu, Xue; Liu, Jinyu; Hu, Jin; Yue, Chunlei; Mao, Zhiqiang; Wei, Jiang; Zhu, Yibo; Sanchez, Ana; Antipina, Liubov; Sorokin, Pavel

    Micromechanical exfoliation or wet exfoliation of two-dimensional van der Waals materials has triggered an explosive interest in 2D material research. In our work, we extend this idea to 1D van der Waals material. By using micromechanical exfoliation or wet exfoliation, 1D nanowire with size as small as six molecular ribbons can be readily achieved in the Ta2(Pd or Pt)3Se8 system. The semiconducting properties of exfoliated Ta2Pd3Se8 nanowires show n-type, whereas Ta2Pt3Se8 nanowires are p-type. Our electronic band structure calculation for Ta2Pd3Se8 nanowire reveals that from multi-ribbon to single-ribbon the band gap evolves from indirect 0.5eV in bulk to direct 1eV in single-ribbon. A functional ``NOT'' gate consisting of field-effect transistors based on these two types of complementary nanowires has also been successfully realized. Moreover, the photocurrent response of Ta2Pd3Se8 nanowire transistors has been studied as well. Ta2(Pd or Pt)3Se8 system, as an intrinsic quasi-1D material, provides a viable platform for the study of low dimensional condensed matter physics. We acknowledge the financial support from DOE and BoRSF.

  5. Moment tensor inversion of recent local moderate sized Van Earthquakes: seismicity and active tectonics of the Van region : Eastern Turkey

    NASA Astrophysics Data System (ADS)

    Kalafat, D.; Suvarikli, M.; Ogutcu, Z.; Kekovali, K.; Ocal, M. F.; Gunes, Y.; Pinar, A.

    2013-12-01

    The study area of the present research, the Van Region is located at the norththern end of the collision zone between the Anatolia and Arabian plates. Therefore, the southeast border of the Anatolian plate collides with the Arabian plate along the Bitlis Suture Zone. This zone is formed by collision of Arabian and in large scale Eurasian plates at mid-Miocen age. This type of thrust generation as a result of compressional regime extends east-west. The largest recorded earthquakes have all taken place along Southern Turkey (e.g. Lice, 1971; Varto, 1966; Caldiran, 1976). On the 23th of October 2011, an earthquake shook the Van Lake, Eastern Turkey, following a seismic sequence of more than three months in an unprecedented episode for this region characterized by null or low seismicity. The October 23, 2011 Van-Ercis Earthquake (Mw=7.1) was the most devastating resulting in loss of life and destruction. In order to study the aftershocks' activity of this main event, we installed and kept a seismic network of 10 broad-band (BB) stations in the area for an interval of nearly fifteen months. We characterized the seismogenic structure of the zone by calculating a minimum 1-D local velocity model and obtaining precise hypocentre locations. We also calculated fault plane solutions for more than 200 moderate sized earthquakes based on first motion polarities and commonly Moment Tensor Inversion Methods. The seismogenic zone would be localized at aproximately 10 km depth. Generally, the distribution of the important moderate earthquakes and the aftershock distribution shows that the E-W and NE-SW oriented fault segments cause the earthquake activities. Aftershock events are located along the eastern border of Lake Van and mainly between 5 and 10 km depth and disposed in two alignments: a ~E-W-trending alignment that matches with the trace of the Van Trust fault Zone and a NE-trending which could correspond to an structure not previously seen. Selected focal mechanisms show a

  6. [Implementation of vanA and vanB genes by PCR technique research interest in system (Xpert vanA/vanB CepheidR) closed in a laboratory of microbiology in managing an outbreak to Enterococcus faecium resistant glycopeptide (EfRG)].

    PubMed

    Dekeyser, S; Beclin, E; Descamps, D

    2011-04-01

    The closed system PCR for the rapid detection of vanA and vanB genes (Xpert vanA/vanB Cepheid(®)) was evaluated in our laboratory, to improve the rapidity of the response and thus the management of patients and isolation measures during two GRE outbreaks. From March to December2009, 565 samples were analysed by PCR associated to bacterial culture initially for all samples for 2months (n = 75), and thereafter for PCR-positive samples only. In this study, sensitivity and negative predictive values of the PCR were 100%. Specificity was evaluated in the presence and absence of outbreak: 69.3 and 76.8% respectively. The variability of false positive rates between units were lower in nonepidemic than during epidemic phase. The global false positive rate was 23.9%. This easy-to-use technology provides rapid results… four samples are tested in 1h versus 72h for culture. Despite its reagent cost, it represents an important hospital diagnostic tool: improvement of the management of cohorting areas and patient transfer between units, adaptation of isolation measures and treatments. However, culture remains necessary to confirm any positive result obtained by PCR and for epidemiological surveillance. Copyright © 2010 Elsevier Masson SAS. All rights reserved.

  7. DdlN from Vancomycin-Producing Amycolatopsis orientalis C329.2 Is a VanA Homologue with d-Alanyl-d-Lactate Ligase Activity

    PubMed Central

    Marshall, C. Gary; Wright, Gerard D.

    1998-01-01

    Vancomycin-resistant enterococci acquire high-level resistance to glycopeptide antibiotics through the synthesis of peptidoglycan terminating in d-alanyl-d-lactate. A key enzyme in this process is a d-alanyl-d-alanine ligase homologue, VanA or VanB, which preferentially catalyzes the synthesis of the depsipeptide d-alanyl-d-lactate. We report the overexpression, purification, and enzymatic characterization of DdlN, a VanA and VanB homologue encoded by a gene of the vancomycin-producing organism Amycolatopsis orientalis C329.2. Evaluation of kinetic parameters for the synthesis of peptides and depsipeptides revealed a close relationship between VanA and DdlN in that depsipeptide formation was kinetically preferred at physiologic pH; however, the DdlN enzyme demonstrated a narrower substrate specificity and commensurately increased affinity for d-lactate in the C-terminal position over VanA. The results of these functional experiments also reinforce the results of previous studies that demonstrated that glycopeptide resistance enzymes from glycopeptide-producing bacteria are potential sources of resistance enzymes in clinically relevant bacteria. PMID:9791137

  8. Effective field theories for van der Waals interactions

    NASA Astrophysics Data System (ADS)

    Brambilla, Nora; Shtabovenko, Vladyslav; Tarrús Castellà, Jaume; Vairo, Antonio

    2017-06-01

    Van der Waals interactions between two neutral but polarizable systems at a separation R much larger than the typical size of the systems are at the core of a broad sweep of contemporary problems in settings ranging from atomic, molecular and condensed matter physics to strong interactions and gravity. In this paper, we reexamine the dispersive van der Waals interactions between two hydrogen atoms. The novelty of the analysis resides in the usage of nonrelativistic effective field theories of quantum electrodynamics. In this framework, the van der Waals potential acquires the meaning of a matching coefficient in an effective field theory, dubbed van der Waals effective field theory, suited to describe the low-energy dynamics of an atom pair. It may be computed systematically as a series in R times some typical atomic scale and in the fine-structure constant α . The van der Waals potential gets short-range contributions and radiative corrections, which we compute in dimensional regularization and renormalize here for the first time. Results are given in d space-time dimensions. One can distinguish among different regimes depending on the relative size between 1 /R and the typical atomic bound-state energy, which is of order m α2. Each regime is characterized by a specific hierarchy of scales and a corresponding tower of effective field theories. The short-distance regime is characterized by 1 /R ≫m α2 and the leading-order van der Waals potential is the London potential. We also compute next-to-next-to-next-to-leading-order corrections. In the long-distance regime we have 1 /R ≪m α2. In this regime, the van der Waals potential contains contact terms, which are parametrically larger than the Casimir-Polder potential that describes the potential at large distances. In the effective field theory, the Casimir-Polder potential counts as a next-to-next-to-next-to-leading-order effect. In the intermediate-distance regime, 1 /R ˜m α2, a significantly more complex

  9. Observation of Chorus Waves by the Van Allen Probes: Dependence on Solar Wind Parameters and Scale Size

    NASA Technical Reports Server (NTRS)

    Aryan, Homayon; Sibeck, David; Balikhin, Michael; Agapitov, Oleksiy; Kletzing, Craig

    2016-01-01

    Highly energetic electrons in the Earths Van Allen radiation belts can cause serious damage to spacecraft electronic systems and affect the atmospheric composition if they precipitate into the upper atmosphere. Whistler mode chorus waves have attracted significant attention in recent decades for their crucial role in the acceleration and loss of energetic electrons that ultimately change the dynamics of the radiation belts. The distribution of these waves in the inner magnetosphere is commonly presented as a function of geomagnetic activity. However, geomagnetic indices are nonspecific parameters that are compiled from imperfectly covered ground based measurements. The present study uses wave data from the two Van Allen Probes to present the distribution of lower band chorus waves not only as functions of single geomagnetic index and solar wind parameters but also as functions of combined parameters. Also the current study takes advantage of the unique equatorial orbit of the Van Allen Probes to estimate the average scale size of chorus wave packets, during close separations between the two spacecraft, as a function of radial distance, magnetic latitude, and geomagnetic activity, respectively. Results show that the average scale size of chorus wave packets is approximately 13002300 km. The results also show that the inclusion of combined parameters can provide better representation of the chorus wave distributions in the inner magnetosphere and therefore can further improve our knowledge of the acceleration and loss of radiation belt electrons.

  10. Thermodynamic scaling in ionically conducting glasses and melts

    NASA Astrophysics Data System (ADS)

    Habasaki, Junko

    2013-02-01

    Molecular dynamics simulations have been performed to learn temperature, composition, pressure dependencies of the diffusivity and structures in the system having ion channels and network formers. Validity of the thermodynamic scaling in the lithium silicate glasses and melts is shown, where the scaling concept is extended with an aid of a percolation aspect of the ion channels. All diffusion coefficients of ions of different compositions, temperatures, pressures are successfully represented by a single master curve as a function of system volumes, temperatures and volume fraction of M2O part. It enables us to predict the diffusivity in different conditions. Furthermore, it suggests an applicability of scaling concept for the sub-structures in more complex systems. Nearby points on the master curve have the comparable MSD as well as self-part of the van Hove functions. Similarity is observed from an early term region. This observation is consistent to our previous claims [K. L. Ngai, J. Habasaki, D. Prevosto, S. Capaccioli, Marian Paluch, J. Chem. Phys. 137, 034511 (2012)] that the thermodynamic scaling of α-Relaxation time stems from the Johari-Goldstein β-relaxation or the primitive relaxation of the coupling model.

  11. Nodal Statistics for the Van Vleck Polynomials

    NASA Astrophysics Data System (ADS)

    Bourget, Alain

    The Van Vleck polynomials naturally arise from the generalized Lamé equation as the polynomials of degree for which Eq. (1) has a polynomial solution of some degree k. In this paper, we compute the limiting distribution, as well as the limiting mean level spacings distribution of the zeros of any Van Vleck polynomial as N --> ∞.

  12. Vehicle test report: Jet Industries Electra Van 600

    NASA Technical Reports Server (NTRS)

    Price, T. W.; Wirth, V. A., Jr.

    1982-01-01

    The Electra Van 600, an electric vehicle, was tested. Tests were performed to characterize parameters of the Electra Van 600 and to provide baseline data to be used for comparison of improved batteries and to which will be incorporated into the vehicle. The vehicle tests concentrated on the electrical drive subsystem, the batteries, controller, and motor; coastdowns to characterize the road load and range evaluation for cyclic and constant speed conditions; and qualitative performance was evaluated. It is found that the Electra Van 600 range performance is approximately equal to the majority of the vehicles tested previously.

  13. Including screening in van der Waals corrected density functional theory calculations: the case of atoms and small molecules physisorbed on graphene.

    PubMed

    Silvestrelli, Pier Luigi; Ambrosetti, Alberto

    2014-03-28

    The Density Functional Theory (DFT)/van der Waals-Quantum Harmonic Oscillator-Wannier function (vdW-QHO-WF) method, recently developed to include the vdW interactions in approximated DFT by combining the quantum harmonic oscillator model with the maximally localized Wannier function technique, is applied to the cases of atoms and small molecules (X=Ar, CO, H2, H2O) weakly interacting with benzene and with the ideal planar graphene surface. Comparison is also presented with the results obtained by other DFT vdW-corrected schemes, including PBE+D, vdW-DF, vdW-DF2, rVV10, and by the simpler Local Density Approximation (LDA) and semilocal generalized gradient approximation approaches. While for the X-benzene systems all the considered vdW-corrected schemes perform reasonably well, it turns out that an accurate description of the X-graphene interaction requires a proper treatment of many-body contributions and of short-range screening effects, as demonstrated by adopting an improved version of the DFT/vdW-QHO-WF method. We also comment on the widespread attitude of relying on LDA to get a rough description of weakly interacting systems.

  14. Single-particle properties of the Hubbard model in a novel three-pole approximation

    NASA Astrophysics Data System (ADS)

    Di Ciolo, Andrea; Avella, Adolfo

    2018-05-01

    We study the 2D Hubbard model using the Composite Operator Method within a novel three-pole approximation. Motivated by the long-standing experimental puzzle of the single-particle properties of the underdoped cuprates, we include in the operatorial basis, together with the usual Hubbard operators, a field describing the electronic transitions dressed by the nearest-neighbor spin fluctuations, which play a crucial role in the unconventional behavior of the Fermi surface and of the electronic dispersion. Then, we adopt this approximation to study the single-particle properties in the strong coupling regime and find an unexpected behavior of the van Hove singularity that can be seen as a precursor of a pseudogap regime.

  15. Rater Biases in Genetically Informative Research Designs: Comment on Bartels, Boomsma, Hudziak, van Beijsterveldt, and van den Oord (2007)

    ERIC Educational Resources Information Center

    Hoyt, William T.

    2007-01-01

    Rater biases are of interest to behavior genetic researchers, who often use ratings data as a basis for studying heritability. Inclusion of multiple raters for each sibling pair (M. Bartels, D. I. Boomsma, J. J. Hudziak, T. C. E. M. van Beijsterveldt, & E. J. C. G. van den Oord, 2007) is a promising strategy for controlling bias variance and may…

  16. RpoS induces expression of the Vibrio anguillarum quorum-sensing regulator VanT.

    PubMed

    Weber, Barbara; Croxatto, Antony; Chen, Chang; Milton, Debra L

    2008-03-01

    In vibrios, regulation of the Vibrio harveyi-like LuxR transcriptional activators occurs post-transcriptionally via small regulatory RNAs (sRNAs) that destabilize the luxR mRNA at a low cell population, eliminating expression of LuxR. Expression of the sRNAs is modulated by the vibrio quorum-sensing phosphorelay systems. However, vanT mRNA, which encodes a LuxR homologue in Vibrio anguillarum, is abundant at low and high cell density, indicating that VanT expression may be regulated via additional mechanisms. In this study, Western analyses showed that VanT was expressed throughout growth with a peak of expression during late exponential growth. VanO induced partial destabilization of vanT mRNA via activation of at least one Qrr sRNA. Interestingly, the sigma factor RpoS significantly stabilized vanT mRNA and induced VanT expression during late exponential growth. This induction was in part due to RpoS repressing expression of Hfq, an RNA chaperone. RpoS is not part of the quorum-sensing regulatory cascade since RpoS did not regulate expression or activity of VanO, and RpoS was not regulated by VanO or VanT. VanT and RpoS were needed for survival following UV irradiation and for pigment and metalloprotease production, suggesting that RpoS works with the quorum-sensing systems to modulate expression of VanT, which regulates survival and stress responses.

  17. Polymorphism and thermodynamic ground state of silver fulminate studied from van der Waals density functional calculations

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Yedukondalu, N.; Vaitheeswaran, G., E-mail: gvsp@uohyd.ernet.in

    2014-06-14

    Silver fulminate (AgCNO) is a primary explosive, which exists in two polymorphic phases, namely, orthorhombic (Cmcm) and trigonal (R3{sup ¯}) forms at ambient conditions. In the present study, we have investigated the effect of pressure and temperature on relative phase stability of the polymorphs using planewave pseudopotential approaches based on Density Functional Theory (DFT). van der Waals interactions play a significant role in predicting the phase stability and they can be effectively captured by semi-empirical dispersion correction methods in contrast to standard DFT functionals. Based on our total energy calculations using DFT-D2 method, the Cmcm structure is found to bemore » the preferred thermodynamic equilibrium phase under studied pressure and temperature range. Hitherto Cmcm and R3{sup ¯} phases denoted as α- and β-forms of AgCNO, respectively. Also a pressure induced polymorphic phase transition is seen using DFT functionals and the same was not observed with DFT-D2 method. The equation of state and compressibility of both polymorphic phases were investigated. Electronic structure and optical properties were calculated using full potential linearized augmented plane wave method within the Tran-Blaha modified Becke-Johnson potential. The calculated electronic structure shows that α, β phases are indirect bandgap insulators with a bandgap values of 3.51 and 4.43 eV, respectively. The nature of chemical bonding is analyzed through the charge density plots and partial density of states. Optical anisotropy, electric-dipole transitions, and photo sensitivity to light of the polymorphs are analyzed from the calculated optical spectra. Overall, the present study provides an early indication to experimentalists to avoid the formation of unstable β-form of AgCNO.« less

  18. van Manen's method and reduction in a phenomenological hermeneutic study.

    PubMed

    Heinonen, Kristiina

    2015-03-01

    To describe van Manen's method and concept of reduction in a study that used a phenomenological hermeneutic approach. Nurse researchers have used van Manen's method in different ways. Participants' lifeworlds are described in depth, but descriptions of reduction have been brief. The literature and knowledge review and manual search of research articles. Databases Web Science, PubMed, CINAHL and PsycINFO, without applying a time period, to identify uses of van Manen's method. This paper shows how van Manen's method has been used in nursing research and gives some examples of van Manen's reduction. Reduction enables us to conduct in-depth phenomenological hermeneutic research and understand people's lifeworlds. As there are many variations in adapting reduction, it is complex and confusing. This paper contributes to the discussion of phenomenology, hermeneutic study and reduction. It opens up reduction as a method for researchers to exploit.

  19. Van der waals forces on thin liquid films in capillary tubes

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Herdt, G.C.; Swanson, L.W.

    1993-10-01

    A theory of the van der Waals attraction between a thin liquid films and a capillary tube is presented assuming the presence of a vapor-liquid interface. The model is based on the surface mode analysis method of van Kampen et al. Values for the van der Waals interaction energy per unit area were calculated for liquid films of pentane on a gold substrate assuming a thin liquid film. Results indicate that the effect of capillary curvature on the van der Waals interaction increases as the ratio of the liquid film thickness to the capillary radius is increased. This trend ismore » consistent with predictions based on the Hamaker theory. Deviations from results based on the Hamaker theory are easily explained in terms of retardation of the van der Waals interaction. Because the effect of capillary curvature increases in the regime where retardation effects become important, curvature effects constitute a small correction to the van der Waals forces in a capillary tube.« less

  20. Waardering en Analyse van Simulatieresultaten (Valuation and Analysis of Simulation Results)

    DTIC Science & Technology

    1991-12-01

    is uit de tabel van de Students T-verdeling te halen . Deze wordt aangeduid met t,(v), waarin a de overschrijdingskans en v bet aantal vrijheidsgraden...2 vrijheidsgraden. Uit de tabol van de Student’s t-verdeling zija nu de kritieke waardon R, on R2 to halen zodanig dat P(t >R2 ) = i Wordt or eon...analyse van simnulatieresultaten - TDCnaK RAPPORTE1CENTRALE Frederikkazerne, Geb. 140 AD-A25 470van den Burchlaan 31AD-A25 470Telefoon: 070-3166394

  1. Exotic ferromagnetism in the two-dimensional quantum material C3N

    NASA Astrophysics Data System (ADS)

    Huang, Wen-Cheng; Li, Wei; Liu, Xiaosong

    2018-04-01

    The search for and study of exotic quantum states in novel low-dimensional quantum materials have triggered extensive research in recent years. Here, we systematically study the electronic and magnetic structures in the newly discovered two-dimensional quantum material C3N within the framework of density functional theory. The calculations demonstrate that C3N is an indirect-band semiconductor with an energy gap of 0.38 eV, which is in good agreement with experimental observations. Interestingly, we find van Hove singularities located at energies near the Fermi level, which is half that of graphene. Thus, the Fermi energy easily approaches that of the singularities, driving the system to ferromagnetism, under charge carrier injection, such as electric field gating or hydrogen doping. These findings not only demonstrate that the emergence of magnetism stems from the itinerant electron mechanism rather than the effects of local magnetic impurities, but also open a new avenue to designing field-effect transistor devices for possible realization of an insulator-ferromagnet transition by tuning an external electric field.

  2. Martin Van Buren National Historic Site transportation analysis report

    DOT National Transportation Integrated Search

    2010-10-01

    The Volpe Transportation Systems Center (Volpe Center) is providing transportation support to Martin Van Buren National Historic Site's (NHS) first General Management Plan (GMP), which will be complete in 2010 or 2011. Currently, Martin Van Buren NHS...

  3. A. E. van Vogt: In Search of Meaning.

    ERIC Educational Resources Information Center

    Drake, H. L.

    A general semantics perspective of science fiction writer A. E. van Vogt is presented in this paper. The first major section of the paper contains a biographical sketch of van Vogt and traces the influence of A. Korzybski's work on general semantics, "Science and Sanity," on his writing, while the second major section provides an…

  4. Van Driest transformation and compressible wall-bounded flows

    NASA Technical Reports Server (NTRS)

    Huang, P. G.; Coleman, G. N.

    1994-01-01

    The transformation validity question utilizing resulting data from direct numerical simulations (DNS) of supersonic, isothermal cold wall channel flow was investigated. The DNS results stood for a wide scope of parameter and were suitable for the purpose of examining the generality of Van Driest transformation. The Van Driest law of the wall can be obtained from the inner-layer similarity arguments. It was demonstrated that the Van Driest transformation cannot be incorporated to collapse the sublayer and log-layer velocity profiles simultaneously. Velocity and temperature predictions according to the preceding composite mixing-length model were presented. Despite satisfactory congruity with the DNS data, the model must be perceived as an engineering guide and not as a rigorous analysis.

  5. Alternative Fuels Data Center: Natural Gas Delivery Vans Support McShan

    Science.gov Websites

    FloristA> Natural Gas Delivery Vans Support McShan Florist to someone by E-mail Share Alternative Natural Gas Delivery Vans Support McShan Florist Watch how a Dallas, Texas, florist reduces emissions and saves money fueling delivery vans with compressed natural gas. For information about this project

  6. Van de Hulst Essay: Light Scattering, Aerosols, Clouds, Climate, Hendrik van de Hulst, and I

    DOE PAGES

    Chylek, Petr

    2017-12-06

    It is not often that I have the opportunity to write something that is not a scientific study, and I am thankful for this opportunity to express my thoughts with regard to pursuits that are greater than those of science. In this van de Hulst assay, to honor Hendrik van de Hulst, I briefly summarize a few points from Hendrik's life that I find especially interesting, including his interests in spiritual (or religious) aspects of life, and his decision to avoid involvement in nucleation problems, a critical and basic uncertainty of current climate models. Finally, after that, I present brieflymore » a few episodes from my own experiences as an apprentice of science and life.« less

  7. Van de Hulst Essay: Light Scattering, Aerosols, Clouds, Climate, Hendrik van de Hulst, and I

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Chylek, Petr

    It is not often that I have the opportunity to write something that is not a scientific study, and I am thankful for this opportunity to express my thoughts with regard to pursuits that are greater than those of science. In this van de Hulst assay, to honor Hendrik van de Hulst, I briefly summarize a few points from Hendrik's life that I find especially interesting, including his interests in spiritual (or religious) aspects of life, and his decision to avoid involvement in nucleation problems, a critical and basic uncertainty of current climate models. Finally, after that, I present brieflymore » a few episodes from my own experiences as an apprentice of science and life.« less

  8. Multiple Voices in Charles Van Riper's Desensitization Therapy

    ERIC Educational Resources Information Center

    Leahy, Margaret M.

    2008-01-01

    Background: Charles Van Riper (1905-94) author, researcher and practitioner, was one of the major contributors to the field of stuttering in the 20th century. His series of Action Therapy videotapes provide a useful model of how therapy was implemented by a master clinician. Aims: Van Riper's session with a client is analysed to reveal how voices…

  9. Militaire Toepassingen Van Adaptieve Optiek (Military Applications of Adaptive Optics)

    DTIC Science & Technology

    2006-09-01

    dat op dit moment met de beschikbare theorie mogelijk is. Een ander interessant aspect is de mate waarin de turbulentie effecten het jam patroon...systemen In WEAG studie JP8. 11 is aangetoond dat in theorie adaptieve technieken een verbetering van de prestaties van een DIRCM systeem kunnen...Molenaar; Theorie van de laserscintillometer; TNO repot PHL 1978-16 (1978). TNO-rapport I TNO-DV 2006 A336 35/35 6 Ondertekening Den Haag, september 2006

  10. Interlayer excitons in a bulk van der Waals semiconductor.

    PubMed

    Arora, Ashish; Drüppel, Matthias; Schmidt, Robert; Deilmann, Thorsten; Schneider, Robert; Molas, Maciej R; Marauhn, Philipp; Michaelis de Vasconcellos, Steffen; Potemski, Marek; Rohlfing, Michael; Bratschitsch, Rudolf

    2017-09-21

    Bound electron-hole pairs called excitons govern the electronic and optical response of many organic and inorganic semiconductors. Excitons with spatially displaced wave functions of electrons and holes (interlayer excitons) are important for Bose-Einstein condensation, superfluidity, dissipationless current flow, and the light-induced exciton spin Hall effect. Here we report on the discovery of interlayer excitons in a bulk van der Waals semiconductor. They form due to strong localization and spin-valley coupling of charge carriers. By combining high-field magneto-reflectance experiments and ab initio calculations for 2H-MoTe 2 , we explain their salient features: the positive sign of the g-factor and the large diamagnetic shift. Our investigations solve the long-standing puzzle of positive g-factors in transition metal dichalcogenides, and pave the way for studying collective phenomena in these materials at elevated temperatures.Excitons, quasi-particles of bound electron-hole pairs, are at the core of the optoelectronic properties of layered transition metal dichalcogenides. Here, the authors unveil the presence of interlayer excitons in bulk van der Waals semiconductors, arising from strong localization and spin-valley coupling of charge carriers.

  11. Generation of EMIC Waves Observed by Van Allen Probes at Low L-shells of Earth's Magnetosphere

    NASA Astrophysics Data System (ADS)

    Gamayunov, K. V.; Zhang, J.; Saikin, A.; Rassoul, H.

    2017-12-01

    In a multi-ion magnetospheric plasma, where the major species are H+, He+, and O+, the He-band of electromagnetic ion cyclotron (EMIC) waves is the dominant band observed in the inner magnetosphere, and waves are generally quasi-field-aligned inside the geostationary orbit. Almost all the satellite-based studies of EMIC waves before Van Allen Probes, however, have not reported waves below L 3.5. There is probably only one exception from the Akebono satellite where both the H-band and He-band EMIC waves were observed at L 2. The situation has changed dramatically after two Van Allen Probes spacecraft were launched on 30 August, 2012, and many EMIC wave events have been observed below L=4. The Van Allen Probes observations confirm that the He-band of EMIC waves is a dominant band in the inner magnetosphere, but the observation of the He-band waves below L=4 is a new and quite unexpected result compared to our knowledge about EMIC waves before the Van Allen Probes era. In addition, observations show that almost all the He-band EMIC waves are linearly polarized in the region L < 4. This result is also new and unexpected. Here we will present an observational test of the generation mechanism for the He-band EMIC waves observed by Van Allen Probes at L 2.8 on 18 March, 2013. All the plasma parameters, DC magnetic field, and energetic ion distribution functions will be taken from the Van Allen Probes observations during the EMIC wave event to calculate growth rates of EMIC waves. We will then identify the energetic ions responsible for instability, frequencies and normals generated, and physical mechanism of instability.

  12. Van Gogh from Space

    NASA Image and Video Library

    2017-12-08

    Van Gogh from Space - July 13th, 2005 Description: In the style of Van Gogh's painting "Starry Night," massive congregations of greenish phytoplankton swirl in the dark water around Gotland, a Swedish island in the Baltic Sea. Phytoplankton are microscopic marine plants that form the first link in nearly all ocean food chains. Population explosions, or blooms, of phytoplankton, like the one shown here, occur when deep currents bring nutrients up to sunlit surface waters, fueling the growth and reproduction of these tiny plants. Credit: USGS/NASA/Landsat 7 To learn more about the Landsat satellite go to: landsat.gsfc.nasa.gov/ NASA Goddard Space Flight Center enables NASA’s mission through four scientific endeavors: Earth Science, Heliophysics, Solar System Exploration, and Astrophysics. Goddard plays a leading role in NASA’s accomplishments by contributing compelling scientific knowledge to advance the Agency’s mission. Follow us on Twitter Join us on Facebook

  13. A review on data and predictions of water dielectric spectra for calculations of van der Waals surface forces.

    PubMed

    Wang, Jianlong; Nguyen, Anh V

    2017-12-01

    Van der Waals forces are one of the important components of intermolecular, colloidal and surface forces governing many phenomena and processes. The latest examples include the colloidal interactions between hydrophobic colloids and interfaces in ambient (non-degassed) water in which dissolved gases and nanobubbles are shown to affect the van der Waals attractions significantly. The advanced computation of van der Waals forces in aqueous systems by the Lifshitz theory requires reliable data for water dielectric spectra. In this paper we review the available predictions of water dielectric spectra for calculating colloidal and surface van der Waals forces. Specifically, the available experimental data for the real and imaginary parts of the complex dielectric function of liquid water in the microwave, IR and UV regions and various corresponding predictions of the water spectra are critically reviewed. The data in the UV region are critical, but the available predictions are still based on the outdated data obtained in 1974 (for frequency only up to 25.5eV). We also reviewed and analysed the experimental data obtained for the UV region in 2000 (for frequency up to 50eV) and 2015 (for frequency up to 100eV). The 1974 and 2000 data require extrapolations to higher frequencies needed for calculating the van der Waals forces but remain inaccurate. Our analysis shows that the latest data of 2015 do not require the extrapolation and can be used to reliably calculate van der Waals forces. The most recent water dielectric spectra gives the (non-retarded) Hamaker constant, A=5.20×10 -20 J, for foam films of liquid water. This review provides the most updated and reliable water dielectric spectra to compute van der Waals forces in aqueous systems. Copyright © 2017 Elsevier B.V. All rights reserved.

  14. Multilevel population genetic analysis of vanA and vanB Enterococcus faecium causing nosocomial outbreaks in 27 countries (1986-2012).

    PubMed

    Freitas, Ana R; Tedim, Ana P; Francia, Maria V; Jensen, Lars B; Novais, Carla; Peixe, Luísa; Sánchez-Valenzuela, Antonio; Sundsfjord, Arnfinn; Hegstad, Kristin; Werner, Guido; Sadowy, Ewa; Hammerum, Anette M; Garcia-Migura, Lourdes; Willems, Rob J; Baquero, Fernando; Coque, Teresa M

    2016-12-01

    Vancomycin-resistant Enterococcus faecium (VREfm) have been increasingly reported since the 1980s. Despite the high number of published studies about VRE epidemiology, the dynamics and evolvability of these microorganisms are still not fully understood. A multilevel population genetic analysis of VREfm outbreak strains since 1986, representing the first comprehensive characterization of plasmid content in E. faecium, was performed to provide a detailed view of potential transmissible units. From a comprehensive MeSH search, we identified VREfm strains causing hospital outbreaks (1986-2012). In total, 53 VanA and 18 VanB isolates (27 countries, 5 continents) were analysed and 82 vancomycin-susceptible E. faecium (VSEfm) were included for comparison. Clonal relatedness was established by PFGE and MLST (goeBURST/Bayesian Analysis of Population Structure, BAPS). Characterization of van transposons (PCR mapping, RFLP, sequencing), plasmids (transfer, ClaI-RFLP, PCR typing of relaxases, replication-initiation proteins and toxin-antitoxin systems, hybridization, sequencing), bacteriocins and virulence determinants (PCR, hybridization, sequencing) was performed. VREfm were mainly associated with major human lineages ST17, ST18 and ST78. VREfm and VSEfm harboured plasmids of different families [RCR, small theta plasmids, RepA_N (pRUM/pLG1) and Inc18] able to yield mosaic elements. Tn1546-vanA was mainly located on pRUM/Axe-Txe (USA) and Inc18-pIP186 (Europe) plasmids. The VanB2 type (Tn5382/Tn1549) was predominant among VanB strains (chromosome and plasmids). Both strains and plasmids contributed to the spread and persistence of vancomycin resistance among E. faecium. Horizontal gene transfer events among genetic elements from different clonal lineages (same or different species) result in chimeras with different stability and host range, complicating the surveillance of epidemic plasmids. © The Author 2016. Published by Oxford University Press on behalf of the British

  15. Electrons at the monkey saddle: a multicritical Lifshitz point

    NASA Astrophysics Data System (ADS)

    Shtyk, Alex; Goldstein, Garry; Chamon, Claudio

    We consider 2D interacting electrons at a monkey saddle with dispersion px3 - 3pxpy2 . Such a dispersion naturally arises at the multicritical Lifshitz point when three van Hove saddles merge in an elliptical umbilic elementary catastrophe, which we show can be realized in biased bilayer graphene. A multicritical Lifshitz point of this kind can be identified by its signature Landau level behavior Em (Bm) 3 / 2 and related oscillations in thermodynamic and transport properties, such as de Haas-van Alphen and Shubnikov-de Haas oscillations, whose period triples as the system crosses the singularity. We show, in the case of a single monkey saddle, that the non-interacting electron fixed point is unstable to interactions under the renormalization group flow, developing either a superconducting instability or non-Fermi liquid features. Biased bilayer graphene, where there are two non-nested monkey saddles at the K and K' points, exhibits an interplay of competing many-body instabilities, namely s-wave superconductivity, ferromagnetism, and spin- and charge-density wave. DOE DE-FG02-06ER46316.

  16. Electrons at the monkey saddle: A multicritical Lifshitz point

    NASA Astrophysics Data System (ADS)

    Shtyk, A.; Goldstein, G.; Chamon, C.

    2017-01-01

    We consider two-dimensional interacting electrons at a monkey saddle with dispersion ∝px3-3 pxpy2 . Such a dispersion naturally arises at the multicritical Lifshitz point when three Van Hove saddles merge in an elliptical umbilic elementary catastrophe, which we show can be realized in biased bilayer graphene. A multicritical Lifshitz point of this kind can be identified by its signature Landau level behavior Em∝(Bm ) 3 /2 and related oscillations in thermodynamic and transport properties, such as de Haas-Van Alphen and Shubnikov-de Haas oscillations, whose period triples as the system crosses the singularity. We show, in the case of a single monkey saddle, that the noninteracting electron fixed point is unstable to interactions under the renormalization-group flow, developing either a superconducting instability or non-Fermi-liquid features. Biased bilayer graphene, where there are two non-nested monkey saddles at the K and K' points, exhibits an interplay of competing many-body instabilities, namely, s -wave superconductivity, ferromagnetism, and spin- and charge-density waves.

  17. MATE (Mentale Aspecten van Team Effectiviteit) (MATE (Mental Aspects of Team Effectiveness))

    DTIC Science & Technology

    2008-05-01

    0 Auteur (s) drs. J.P. van Meer drs. MI. 1 ’ IIart0 drs. 1. van der 16. Rubricering rapport Ongerubriceerd Vastgesteld door Ikol drs. L.A. de Vos...team Auteur (s) Teamntraining drs. J.P. van Meer drs. M.H.E. I Hart Programmanummer Projectnummer drs. 1. van der Beijl V406 015.34095 Rubricering...Murphy & Cleveland (1995) geven inzicht in de tearngedragingen die meetbaar zijn en de theorie over Shared Mental Models (Espevik et al, 2006) laat zien

  18. Isotope separation by photodissociation of Van der Waal's molecules

    DOEpatents

    Lee, Yuan T.

    1977-01-01

    A method of separating isotopes based on the dissociation of a Van der Waal's complex. A beam of molecules of a Van der Waal's complex containing, as one partner of the complex, a molecular species in which an element is present in a plurality of isotopes is subjected to radiation from a source tuned to a frequency which will selectively excite vibrational motion by a vibrational transition or through electronic transition of those complexed molecules of the molecular species which contain a desired isotope. Since the Van der Waal's binding energy is much smaller than the excitational energy of vibrational motion, the thus excited Van der Waal's complex dissociate into molecular components enriched in the desired isotope. The recoil velocity associated with vibrational to translational and rotational relaxation will send the separated molecules away from the beam whereupon the product enriched in the desired isotope can be separated from the constituents of the beam.

  19. Adsorption of thiophene on transition metal surfaces with the inclusion of van der Waals effects

    NASA Astrophysics Data System (ADS)

    Malone, Walter; Matos, Jeronimo; Kara, Abdelkader

    2018-03-01

    We use density functional theory with the inclusion of the van der Waals interaction to study the adsorption of thiophene, C4H4S, on Pt, Rh, Pd, Au, and Ag (100) surfaces. The five van der Waals (vdW) inclusive functionals we employ are optB86b-vdW, optB88-vdW, optPBE-vdW, revPBE-vdW, and rPW86-vdW2. For comparison we also run calculations with the GGA- Perdew Burke and Ernzerhof (PBE) functional. We examine several adsorption sites with the plane of the molecule parallel or perpendicular to the surface. The most stable configuration on all metals was the site where the center of the thiophene lies over a 4-fold hollow site with the sulfur atom lying close to a top site. Furthermore, we examine several electronic and geometric properties of the adsorbate including charge transfer, modification of the d-band, adsorption energy, tilt angle, and adsorption height. For the coinage metals PBE gives the lowest adsorption energy. For reactive transition metal substrates, revPBE-vdW and rPW86-vdW2 give lower adsorption energies than PBE.

  20. De Ontwikkeling van een PBPK Model voor VX; Stand van Zaken V013-813 en 207C (The Development of a PBPK Model for VX: Status Report)

    DTIC Science & Technology

    2006-02-01

    ing. H.C. Trap, dr. ir. M.J. van der werd zes maal gesproken over de Schans, ing. L.F. Chau, B.). Lander, invulling en de voortgang van het I.A. Cordia ...dr. ir. M.J. van der Schans, ing. L.F. Chau, J.P. Oostdijk, B.J. Lander, l.A. Cordia 25 TNO Defensie en Veiligheid, vestiging Rijswijk, Marketing en

  1. Electrons in the Inner Van Allen Belt

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Reeves, Geoff

    A recent study shows that the inner Van Allen belt has less radiation than previously believed. Observations from NASA’s Van Allen probes show the fastest, most energetic electrons in the inner radiation belt are actually much rarer and harder to find than scientists expected. This is good news for spacecraft that are orbiting in the region and can be damaged by high levels of radiation. The results will also help scientists better understand—and detect—effects from high-altitude nuclear explosions.

  2. Energy Sources for Soldier Modernisation Programme Systems (Overzicht van Ontwikkelingen op het Gebied van Draagbare Energieopslag en Energieopwekking)

    DTIC Science & Technology

    1999-12-01

    9 . http://home.earthlink.net/-fradella/homepage.htm 10. http ://web.mit.edu/aeroastro/www/labs/GTL/research/micro/micro.html 11 . http://www.ecr.co.il...Meijer 7 LAS/DB&P/BO/OB&T taxv. aooi Jansen 8 LAS/DB&PIBO/OB 9 LAS/DB&P/BO/CIV 10 OGMAN/Externe plannen Infanterie 11 DM/C31 12 DM/COM 13 KPU-bedrijf 14...detailed specifications mentioned before. TNO-rapport TNO-MEP - R 99/490 9 van 51 Samenvatting In dit rapport wordt een eerste globale selectie gemaakt: van

  3. Density, structure, and dynamics of water: The effect of van der Waals interactions

    NASA Astrophysics Data System (ADS)

    Wang, Jue; Román-Pérez, G.; Soler, Jose M.; Artacho, Emilio; Fernández-Serra, M.-V.

    2011-01-01

    It is known that ab initio molecular dynamics (AIMD) simulations of liquid water at ambient conditions, based on the generalized gradient approximation (GGA) to density functional theory (DFT), with commonly used functionals fail to produce structural and diffusive properties in reasonable agreement with experiment. This is true for canonical, constant temperature simulations where the density of the liquid is fixed to the experimental density. The equilibrium density, at ambient conditions, of DFT water has recently been shown by Schmidt et al. [J. Phys. Chem. B, 113, 11959 (2009)] to be underestimated by different GGA functionals for exchange and correlation, and corrected by the addition of interatomic pair potentials to describe van der Waals (vdW) interactions. In this contribution we present a DFT-AIMD study of liquid water using several GGA functionals as well as the van der Waals density functional (vdW-DF) of Dion et al. [Phys. Rev. Lett. 92, 246401 (2004)]. As expected, we find that the density of water is grossly underestimated by GGA functionals. When a vdW-DF is used, the density improves drastically and the experimental diffusivity is reproduced without the need of thermal corrections. We analyze the origin of the density differences between all the functionals. We show that the vdW-DF increases the population of non-H-bonded interstitial sites, at distances between the first and second coordination shells. However, it excessively weakens the H-bond network, collapsing the second coordination shell. This structural problem is partially associated to the choice of GGA exchange in the vdW-DF. We show that a different choice for the exchange functional is enough to achieve an overall improvement both in structure and diffusivity.

  4. The research contributions of Dr. Paul Van Deusen

    Treesearch

    Thomas B. Lynch; Francis A. Roesch; John Paul McTague; Jeffrey H. Gove; Gregory A. Reams; Aaron R. Weiskittel

    2015-01-01

    Dr. Paul Van Deusen’s recent passing concluded a rich 30+-year research career dedicated to development and implementation of quantitative methods for forestry and natural resources. Since the early part of his career as a biometrician with the USDA Forest Service Southern Research Station in the 1980s-1990s and continuing with his later employment at NCASI, Dr. Van...

  5. Mapping Van

    NASA Technical Reports Server (NTRS)

    1994-01-01

    A NASA Center for the Commercial Development of Space (CCDS) - developed system for satellite mapping has been commercialized for the first time. Global Visions, Inc. maps an area while driving along a road in a sophisticated mapping van equipped with satellite signal receivers, video cameras and computer systems for collecting and storing mapping data. Data is fed into a computerized geographic information system (GIS). The resulting amps can be used for tax assessment purposes, emergency dispatch vehicles and fleet delivery companies as well as other applications.

  6. Novel type of VanB2 teicoplanin-resistant hospital-associated Enterococcus faecium.

    PubMed

    Santona, Antonella; Paglietti, Bianca; Al-Qahtani, Ahmed A; Bohol, Marie Fe F; Senok, Abiola; Deligios, Massimo; Rubino, Salvatore; Al-Ahdal, Mohammed N

    2014-08-01

    Seven high-risk clones of vancomycin-resistant Enterococcus faecium (VREF) belonging to clonal complex 17 were identified using multilocus sequence typing (MLST) among clinical isolates from Saudi Arabia. Among these isolates, a new hospital-associated sequence type (ST795), VanB(2)-type teicoplanin-resistant strain was detected. Its unusual phenotype resulted from a new combination of mutations in the ddl, vanS and vanW genes, which confirmed the trend of evolution in VanB-type resistance. Furthermore, characteristics of adaptation and persistence in the hospital environment of ST795 were emphasised by the presence of genes and clusters recognised to be specific for hospital-associated VREF. Copyright © 2014 Elsevier B.V. and the International Society of Chemotherapy. All rights reserved.

  7. Strong 3D and 1D magnetism in hexagonal Fe-chalcogenides FeS and FeSe vs. weak magnetism in hexagonal FeTe

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Parker, David S.

    2017-06-13

    We present a comparative theoretical study of the hexagonal forms of the Fe-chalcogenides FeS, FeSe and FeTe with their better known tetragonal forms. While the tetragonal forms exhibit only an incipient antiferromagnetism and experimentally show superconductivity when doped, the hexagonal forms of FeS and FeSe display a robust magnetism. We show that this strong magnetism arises from a van Hove singularity associated with the direct Fe-Fe c-axis chains in the generally more three-dimensional NiAs structure. We also find that hexagonal FeTe is much less magnetic than the other two hexagonal materials, so that unconventional magnetically-mediated superconductivity is possible, although amore » large T c value is unlikely.« less

  8. Spin and charge transport through 1D Moire Crystals

    NASA Astrophysics Data System (ADS)

    Barraud, Clement; Bonnet, Romeo; Martin, Pascal; Della Rocca, Maria Luisa; Lafarge, Philippe; Laboratoire Matériaux Et Phénomènes Quantiques Team; Laboratoire Itodys Team

    Multiwall carbon nanotubes are good candidates for propagating spin information over large distances due to the large mobility of the carriers and to the weak spin-orbit coupling and hyperfine interactions. In this talk, I will present an experimental study concerning charge and spin transport through large diameter multiwall carbon nanotubes presenting intershell interactions leading to superlattice effects (1D Moire). After a description of 1D Moire crystals and to the implication of such superlattices in quantum transport, I will show that spin transport seems to be very efficient close to the new van Hove singularities. Clear magnetoresistance signals of the order of 40 % are reported at low temperatures. We acknowledge financial supports from the Labex SEAM and DIM NANO-K.

  9. Investigation of local modification and luminescence of a carbon nanotube by scanning tunneling microscopy

    NASA Astrophysics Data System (ADS)

    Katano, Satoshi; Fujita, Hiroto; Uehara, Yoichi

    2018-01-01

    We have studied the nanoscale luminescence from a multiwalled carbon nanotube (CNT) adsorbed on Au(111) using a scanning tunneling microscope (STM). STM images revealed that a number of isolated chains of CNTs can be deposited by dry contact transfer while keeping the surface clean. By injecting tunneling electrons from the STM tip to the CNT, we observed STM light emission (STM-LE) from the CNT in the visible-light range, showing electronic transitions between the bands associated with the van Hove singularity in the density of states of the CNT. The STM-LE spectrum was obviously changed after introducing the local defect created by the STM tip, indicating the controllability of the nanoscale luminescence within a single chain of a CNT.

  10. Quasiparticle self-consistent GW study of cuprates: electronic structure, model parameters, and the two-band theory for Tc

    PubMed Central

    Jang, Seung Woo; Kotani, Takao; Kino, Hiori; Kuroki, Kazuhiko; Han, Myung Joon

    2015-01-01

    Despite decades of progress, an understanding of unconventional superconductivity still remains elusive. An important open question is about the material dependence of the superconducting properties. Using the quasiparticle self-consistent GW method, we re-examine the electronic structure of copper oxide high-Tc materials. We show that QSGW captures several important features, distinctive from the conventional LDA results. The energy level splitting between and is significantly enlarged and the van Hove singularity point is lowered. The calculated results compare better than LDA with recent experimental results from resonant inelastic xray scattering and angle resolved photoemission experiments. This agreement with the experiments supports the previously suggested two-band theory for the material dependence of the superconducting transition temperature, Tc. PMID:26206417

  11. Van der Woude syndrome: Management in the mixed dentition.

    PubMed

    Agarwal, Sonahita; Dinesh, M R; Dharma, R M; Amarnath, B C

    2013-01-01

    This article presents the case of a patient with Van der Woude syndrome treated with orthodontic and orthopedic intervention in the mixed dentition stage. The patient had a bilateral cleft of the lip and alveolus accompanied by lip pits on the lower lip. Intra-orally, there was bilateral anterior and posterior cross-bite with a collapsed maxilla. The maxillary transverse deficiency was managed with orthopedic expansion and the second phase of treatment involved secondary alveolar bone grafting followed by retention with functional regulator-3. The mild maxillary retrognathia and deficient lip support was managed with dental compensation.

  12. Van der Woude syndrome: Management in the mixed dentition

    PubMed Central

    Agarwal, Sonahita; Dinesh, M. R.; Dharma, R. M.; Amarnath, B. C.

    2013-01-01

    This article presents the case of a patient with Van der Woude syndrome treated with orthodontic and orthopedic intervention in the mixed dentition stage. The patient had a bilateral cleft of the lip and alveolus accompanied by lip pits on the lower lip. Intra-orally, there was bilateral anterior and posterior cross-bite with a collapsed maxilla. The maxillary transverse deficiency was managed with orthopedic expansion and the second phase of treatment involved secondary alveolar bone grafting followed by retention with functional regulator-3. The mild maxillary retrognathia and deficient lip support was managed with dental compensation. PMID:23853466

  13. Materials perspective on Casimir and van der Waals interactions

    NASA Astrophysics Data System (ADS)

    Woods, L. M.; Dalvit, D. A. R.; Tkatchenko, A.; Rodriguez-Lopez, P.; Rodriguez, A. W.; Podgornik, R.

    2016-10-01

    Interactions induced by electromagnetic fluctuations, such as van der Waals and Casimir forces, are of universal nature present at any length scale between any types of systems. Such interactions are important not only for the fundamental science of materials behavior, but also for the design and improvement of micro- and nanostructured devices. In the past decade, many new materials have become available, which has stimulated the need for understanding their dispersive interactions. The field of van der Waals and Casimir forces has experienced an impetus in terms of developing novel theoretical and computational methods to provide new insights into related phenomena. The understanding of such forces has far reaching consequences as it bridges concepts in materials, atomic and molecular physics, condensed-matter physics, high-energy physics, chemistry, and biology. This review summarizes major breakthroughs and emphasizes the common origin of van der Waals and Casimir interactions. Progress related to novel ab initio modeling approaches and their application in various systems, interactions in materials with Dirac-like spectra, force manipulations through nontrivial boundary conditions, and applications of van der Waals forces in organic and biological matter are examined. The outlook of the review is to give the scientific community a materials perspective of van der Waals and Casimir phenomena and stimulate the development of experimental techniques and applications.

  14. Materials perspective on Casimir and van der Waals interactions

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Woods, L. M.; Dalvit, D. A. R.; Tkatchenko, A.

    Interactions induced by electromagnetic fluctuations, such as van der Waals and Casimir forces, are of universal nature present at any length scale between any types of systems. In such interactions these are important not only for the fundamental science of materials behavior, but also for the design and improvement of micro- and nanostructured devices. In the past decade, many new materials have become available, which has stimulated the need for understanding their dispersive interactions. The field of van der Waals and Casimir forces has experienced an impetus in terms of developing novel theoretical and computational methods to provide new insightsmore » into related phenomena. The understanding of such forces has far reaching consequences as it bridges concepts in materials, atomic and molecular physics, condensed-matter physics, high-energy physics, chemistry, and biology. Our review summarizes major breakthroughs and emphasizes the common origin of van der Waals and Casimir interactions. Progress related to novel ab initio modeling approaches and their application in various systems, interactions in materials with Dirac-like spectra, force manipulations through nontrivial boundary conditions, and applications of van der Waals forces in organic and biological matter are examined. Finally, the outlook of the review is to give the scientific community a materials perspective of van der Waals and Casimir phenomena and stimulate the development of experimental techniques and applications.« less

  15. Materials perspective on Casimir and van der Waals interactions

    DOE PAGES

    Woods, L. M.; Dalvit, D. A. R.; Tkatchenko, A.; ...

    2016-11-02

    Interactions induced by electromagnetic fluctuations, such as van der Waals and Casimir forces, are of universal nature present at any length scale between any types of systems. In such interactions these are important not only for the fundamental science of materials behavior, but also for the design and improvement of micro- and nanostructured devices. In the past decade, many new materials have become available, which has stimulated the need for understanding their dispersive interactions. The field of van der Waals and Casimir forces has experienced an impetus in terms of developing novel theoretical and computational methods to provide new insightsmore » into related phenomena. The understanding of such forces has far reaching consequences as it bridges concepts in materials, atomic and molecular physics, condensed-matter physics, high-energy physics, chemistry, and biology. Our review summarizes major breakthroughs and emphasizes the common origin of van der Waals and Casimir interactions. Progress related to novel ab initio modeling approaches and their application in various systems, interactions in materials with Dirac-like spectra, force manipulations through nontrivial boundary conditions, and applications of van der Waals forces in organic and biological matter are examined. Finally, the outlook of the review is to give the scientific community a materials perspective of van der Waals and Casimir phenomena and stimulate the development of experimental techniques and applications.« less

  16. Ab-initio study of structural and electronic properties of WS2/h-BN van der Waals heterostructure

    NASA Astrophysics Data System (ADS)

    Ghasemi majd, Zahra; Amiri, Peiman; Taghizadeh, Seyed Fardin

    2018-06-01

    First-principle calculations with different exchange-correlation functionals, including LDA, GGA, semi-empirical and ab-initio van der Waals in the forms of vdW-DF2B86R and vdW-DF2 were performed to evaluate the performance of different functionals in describing the bonding mechanism, adsorption energy and interlayer distance of WS2 monolayer on and between h-BN layers. The finding was that the vdW-DF2B86R seems to be the approach best lending itself to this purpose. In order to include the van der Waals (vdW) interactions in our calculations, we used the DFT-D2 and vdW methods, which gave rise to a physical adsorption with no net charge transfer between the WS2 layer and the corresponding substrates. In addition, we investigated the electronic and structural properties of WS2 and h-BN heterolayers, using vdW-DF2B86R functional. Based on density functional theory calculations, WS2 on and between h-BN layers showed a direct band gap at the K-point, which was experimentally observed.

  17. Modified Van der Waals equation and law of corresponding states

    NASA Astrophysics Data System (ADS)

    Zhong, Wei; Xiao, Changming; Zhu, Yongkai

    2017-04-01

    It is well known that the Van der Waals equation is a modification of the ideal gas law, yet it can be used to describe both gas and liquid, and some important messages can be obtained from this state equation. However, the Van der Waals equation is not a precise state equation, and it does not give a good description of the law of corresponding states. In this paper, we expand the Van der Waals equation into its Taylor's series form, and then modify the fourth order expansion by changing the constant Virial coefficients into their analogous ones. Via this way, a more precise result about the law of corresponding states has been obtained, and the law of corresponding states can then be expressed as: in terms of the reduced variables, all fluids should obey the same equation with the analogous Virial coefficients. In addition, the system of 3 He with quantum effects has also been taken into consideration with our modified Van der Waals equation, and it is found that, for a normal system without quantum effect, the modification on ideal gas law from the Van der Waals equation is more significant than the real case, however, for a system with quantum effect, this modification is less significant than the real case, thus a factor is introduced in this paper to weaken or strengthen the modification of the Van der Waals equation, respectively.

  18. Huntsville, Alabama, Volunteer Van Demonstration

    DOT National Transportation Integrated Search

    1988-04-01

    The Huntsville Volunteer Van Demonstration, operational since November of 1980, provides transportation service to the traditional transit-dependent community in an unconventional way. The city of Huntsville is not served by a conventional public tra...

  19. The Selection of a Van Lift or a Scooter.

    ERIC Educational Resources Information Center

    Stevens, John H.

    1990-01-01

    This newsletter issue describes 3-wheeled scooters and van lifts that can assist a person with a disability to drive independently or have access to transportation. The section on van lifts compares hydraulic lifts and electric lifts, lists manufacturers, and offers an "assessment quiz" outlining factors to consider in selecting a van…

  20. Thickened boundary layer theory for air film drag reduction on a van body surface

    NASA Astrophysics Data System (ADS)

    Xie, Xiaopeng; Cao, Lifeng; Huang, Heng

    2018-05-01

    To elucidate drag reduction mechanism on a van body surface under air film condition, a thickened boundary layer theory was proposed and a frictional resistance calculation model of the van body surface was established. The frictional resistance on the van body surface was calculated with different parameters of air film thickness. In addition, the frictional resistance of the van body surface under the air film condition was analyzed by computational fluid dynamics (CFD) simulation and different air film states that influenced the friction resistance on the van body surface were discussed. As supported by the CFD simulation results, the thickened boundary layer theory may provide reference for practical application of air film drag reduction on a van body surface.

  1. van der Waals Heterostructures with High Accuracy Rotational Alignment.

    PubMed

    Kim, Kyounghwan; Yankowitz, Matthew; Fallahazad, Babak; Kang, Sangwoo; Movva, Hema C P; Huang, Shengqiang; Larentis, Stefano; Corbet, Chris M; Taniguchi, Takashi; Watanabe, Kenji; Banerjee, Sanjay K; LeRoy, Brian J; Tutuc, Emanuel

    2016-03-09

    We describe the realization of van der Waals (vdW) heterostructures with accurate rotational alignment of individual layer crystal axes. We illustrate the approach by demonstrating a Bernal-stacked bilayer graphene formed using successive transfers of monolayer graphene flakes. The Raman spectra of this artificial bilayer graphene possess a wide 2D band, which is best fit by four Lorentzians, consistent with Bernal stacking. Scanning tunneling microscopy reveals no moiré pattern on the artificial bilayer graphene, and tunneling spectroscopy as a function of gate voltage reveals a constant density of states, also in agreement with Bernal stacking. In addition, electron transport probed in dual-gated samples reveals a band gap opening as a function of transverse electric field. To illustrate the applicability of this technique to realize vdW heterostructuctures in which the functionality is critically dependent on rotational alignment, we demonstrate resonant tunneling double bilayer graphene heterostructures separated by hexagonal boron-nitride dielectric.

  2. Combination Rules for Morse-Based van der Waals Force Fields.

    PubMed

    Yang, Li; Sun, Lei; Deng, Wei-Qiao

    2018-02-15

    In traditional force fields (FFs), van der Waals interactions have been usually described by the Lennard-Jones potentials. Conventional combination rules for the parameters of van der Waals (VDW) cross-termed interactions were developed for the Lennard-Jones based FFs. Here, we report that the Morse potentials were a better function to describe VDW interactions calculated by highly precise quantum mechanics methods. A new set of combination rules was developed for Morse-based FFs, in which VDW interactions were described by Morse potentials. The new set of combination rules has been verified by comparing the second virial coefficients of 11 noble gas mixtures. For all of the mixed binaries considered in this work, the combination rules work very well and are superior to all three other existing sets of combination rules reported in the literature. We further used the Morse-based FF by using the combination rules to simulate the adsorption isotherms of CH 4 at 298 K in four covalent-organic frameworks (COFs). The overall agreement is great, which supports the further applications of this new set of combination rules in more realistic simulation systems.

  3. Hybrid, Gate-Tunable, van der Waals p–n Heterojunctions from Pentacene and MoS 2

    DOE PAGES

    Jariwala, Deep; Howell, Sarah L.; Chen, Kan-Sheng; ...

    2015-12-18

    The recent emergence of a wide variety of two-dimensional (2D) materials has created new opportunities for device concepts and applications. In particular, the availability of semiconducting transition metal dichalcogenides, in addition to semimetallic graphene and insulating boron nitride, has enabled the fabrication of “all 2D” van der Waals heterostructure devices. Furthermore, the concept of van der Waals heterostructures has the potential to be significantly broadened beyond layered solids. For example, molecular and polymeric organic solids, whose surface atoms possess saturated bonds, are also known to interact via van der Waals forces and thus offer an alternative for scalable integration withmore » 2D materials. Here, we demonstrate the integration of an organic small molecule p-type semiconductor, pentacene, with a 2D n-type semiconductor, MoS2. The resulting p–n heterojunction is gate-tunable and shows asymmetric control over the antiambipolar transfer characteristic. In addition, the pentacene/MoS2 heterojunction exhibits a photovoltaic effect attributable to type II band alignment, which suggests that MoS2 can function as an acceptor in hybrid solar cells.« less

  4. Hybrid, Gate-Tunable, van der Waals p–n Heterojunctions from Pentacene and MoS 2

    DOE PAGES

    Jariwala, Deep; Howell, Sarah L.; Chen, Kan -Sheng; ...

    2015-12-10

    Here, the recent emergence of a wide variety of two-dimensional (2D) materials has created new opportunities for device concepts and applications. In particular, the availability of semiconducting transition metal dichalcogenides, in addition to semimetallic graphene and insulating boron nitride, has enabled the fabrication of “all 2D” van der Waals heterostructure devices. Furthermore, the concept of van der Waals heterostructures has the potential to be significantly broadened beyond layered solids. For example, molecular and polymeric organic solids, whose surface atoms possess saturated bonds, are also known to interact via van der Waals forces and thus offer an alternative for scalable integrationmore » with 2D materials. Here, we demonstrate the integration of an organic small molecule p-type semiconductor, pentacene, with a 2D n-type semiconductor, MoS 2. The resulting p–n heterojunction is gate-tunable and shows asymmetric control over the antiambipolar transfer characteristic. In addition, the pentacene/MoS 2 heterojunction exhibits a photovoltaic effect attributable to type II band alignment, which suggests that MoS 2 can function as an acceptor in hybrid solar cells.« less

  5. Hybrid, Gate-Tunable, van der Waals p–n Heterojunctions from Pentacene and MoS 2

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Jariwala, Deep; Howell, Sarah L.; Chen, Kan -Sheng

    Here, the recent emergence of a wide variety of two-dimensional (2D) materials has created new opportunities for device concepts and applications. In particular, the availability of semiconducting transition metal dichalcogenides, in addition to semimetallic graphene and insulating boron nitride, has enabled the fabrication of “all 2D” van der Waals heterostructure devices. Furthermore, the concept of van der Waals heterostructures has the potential to be significantly broadened beyond layered solids. For example, molecular and polymeric organic solids, whose surface atoms possess saturated bonds, are also known to interact via van der Waals forces and thus offer an alternative for scalable integrationmore » with 2D materials. Here, we demonstrate the integration of an organic small molecule p-type semiconductor, pentacene, with a 2D n-type semiconductor, MoS 2. The resulting p–n heterojunction is gate-tunable and shows asymmetric control over the antiambipolar transfer characteristic. In addition, the pentacene/MoS 2 heterojunction exhibits a photovoltaic effect attributable to type II band alignment, which suggests that MoS 2 can function as an acceptor in hybrid solar cells.« less

  6. Pythagoras Meets Van Hiele.

    ERIC Educational Resources Information Center

    Flores, Alfinio

    1993-01-01

    Develops the Pythagorean Theorem in the context of the Van Hiele levels by presenting activities appropriate for each level. Activities point to preparatory development (level 0), give 3 different versions of Euclid's proof (levels 1, 2, and 3), give some generalizations of the theorem (level 3), and explore the Pythagorean relationship in other…

  7. The role of collective motion in the ultrafast charge transfer in van der Waals heterostructures

    DOE PAGES

    Wang, Han; Bang, Junhyeok; Sun, Yiyang; ...

    2016-05-10

    Here, the success of van der Waals (vdW) heterostructures, made of graphene, metal dichalcogenides, and other layered materials, hinges on the understanding of charge transfer across the interface as the foundation for new device concepts and applications. In contrast to conventional heterostructures, where a strong interfacial coupling is essential to charge transfer, recent experimental findings indicate that vdW heterostructues can exhibit ultra-fast charge transfer despite the weak binding of the heterostructure. Using time-dependent density functional theory molecular dynamics, we identify a strong dynamic coupling between the vdW layers associated with charge transfer. This dynamic coupling results in rapid nonlinear coherentmore » charge oscillations which constitute a purely electronic phenomenon and are shown to be a general feature of vdW heterostructures provided they have a critical minimum dipole coupling. Application to MoS2/WS2 heterostructure yields good agreement with experiment, indicating near complete charge transfer within a timescale of 100 fs.The success of van der Waals heterostructures made of graphene, metal dichalcogenides and other layered materials, hinges on the understanding of charge transfer across the interface as the foundation for new device concepts and applications. In contrast to conventional heterostructures, where a strong interfacial coupling is essential to charge transfer, recent experimental findings indicate that van der Waals heterostructues can exhibit ultrafast charge transfer despite the weak binding of these heterostructures. Here we find, using time-dependent density functional theory molecular dynamics, that the collective motion of excitons at the interface leads to plasma oscillations associated with optical excitation. By constructing a simple model of the van der Waals heterostructure, we show that there exists an unexpected criticality of the oscillations, yielding rapid charge transfer across the

  8. The role of collective motion in the ultrafast charge transfer in van der Waals heterostructures

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Wang, Han; Bang, Junhyeok; Sun, Yiyang

    Here, the success of van der Waals (vdW) heterostructures, made of graphene, metal dichalcogenides, and other layered materials, hinges on the understanding of charge transfer across the interface as the foundation for new device concepts and applications. In contrast to conventional heterostructures, where a strong interfacial coupling is essential to charge transfer, recent experimental findings indicate that vdW heterostructues can exhibit ultra-fast charge transfer despite the weak binding of the heterostructure. Using time-dependent density functional theory molecular dynamics, we identify a strong dynamic coupling between the vdW layers associated with charge transfer. This dynamic coupling results in rapid nonlinear coherentmore » charge oscillations which constitute a purely electronic phenomenon and are shown to be a general feature of vdW heterostructures provided they have a critical minimum dipole coupling. Application to MoS2/WS2 heterostructure yields good agreement with experiment, indicating near complete charge transfer within a timescale of 100 fs.The success of van der Waals heterostructures made of graphene, metal dichalcogenides and other layered materials, hinges on the understanding of charge transfer across the interface as the foundation for new device concepts and applications. In contrast to conventional heterostructures, where a strong interfacial coupling is essential to charge transfer, recent experimental findings indicate that van der Waals heterostructues can exhibit ultrafast charge transfer despite the weak binding of these heterostructures. Here we find, using time-dependent density functional theory molecular dynamics, that the collective motion of excitons at the interface leads to plasma oscillations associated with optical excitation. By constructing a simple model of the van der Waals heterostructure, we show that there exists an unexpected criticality of the oscillations, yielding rapid charge transfer across the

  9. Evolution of alkaline lakes - Lake Van case study

    NASA Astrophysics Data System (ADS)

    Tillman Meyer, Felix; Viehberg, Finn; Bahroun, Sonya; Wolf, Annabel; Immenhauser, Adrian; Kwiecien, Ola

    2017-04-01

    Lake Van in Eastern Anatolia (Turkey) is the largest terminal soda lake on Earth. The lake sedimentary profile covers ca. 600 ka (Stockhecke et al. 2014) Based on lithological changes, the presence of freshwater microfossils and close-to-freshwater pH value in the pore water, members of ICDP PALEOVAN concluded that Lake Van might have started as an open lake. Here we show paleontological and geochemical evidence in favour of this idea and constrain the time, when Lake Van likely transformed into a closed lake. Additionally we provide the first conceptual model of how this closure may have happened. Our archives of choice are inorganic and biogenic carbonates, separated by wet sieving. We identified microfossil assemblages (fraction > 125 µm) and performed high-resolution oxygen isotope (delta18O) and elemental (Mg/Ca, Sr/Ca) analyses of the fraction < 63 µm assuming that it represents only carbonates precipitating in the water column. Microfossil assemblage consists of three different species of ostracods (Candona spp, Loxoconcha sp, Amnicythere spp.), diatoms, gastropods and bivalves. Brakish-water ostracods, Loxoconcha sp and Amnicythere sp occur more often after 530 ka. Additionaly, Loxoconcha sp is a shallow-water species relaying on plants growing in the photic zone as food supply. These two aspects point to an increasing salinity in a shallowing lake. The delta18O values of inorganic carbonates are relatively low during the initial phase of Lake Van and increase abruptly (ca. 7‰) after 530 ka BP. At approximately the same time combination of Sr/Ca and Mg/Ca data suggest first occurrence of aragonite. Again, these findings suggest geochemical changes of the lake water concurrent with transition documented by microfossils. Comparison between Lake Van and Lake Ohrid (Lacey et al. 2016) delta18O data, precludes regional climate change (e.g.: increased evaporation) as the main driver of observed changes. With no evidence for increased volcanic or tectonic

  10. Generalization of the van der Pauw Method: Analyzing Longitudinal Magnetoresistance Asymmetry to Quantify Doping Gradients

    NASA Astrophysics Data System (ADS)

    Grayson, M.; Zhou, Wang; Yoo, Heun-Mo; Prabhu-Gaunkar, S.; Tiemann, L.; Reichl, C.; Wegscheider, W.

    A longitudinal magnetoresistance asymmetry (LMA) between a positive and negative magnetic field is known to occur in both the extreme quantum limit and the classical Drude limit in samples with a nonuniform doping density. By analyzing the current stream function in van der Pauw measurement geometry, it is shown that the electron density gradient can be quantitatively deduced from this LMA in the Drude regime. Results agree with gradients interpolated from local densities calibrated across an entire wafer, establishing a generalization of the van der Pauw method to quantify density gradients. Results will be shown of various semoconductor systems where this method is applied, from bulk doped semiconductors, to exfoliated 2D materials. McCormick Catalyst Award from Northwestern University, EECS Bridge Funding, and AFOSR FA9550-15-1-0247.

  11. Antiferromagnetism in the van der Waals layered spin-lozenge semiconductor CrTe 3

    DOE PAGES

    McGuire, Michael A.; Garlea, V. Ovidiu; KC, Santosh; ...

    2017-04-14

    We have investigated the crystallographic, magnetic, and transport properties of the van der Waals bonded, layered compound CrTe 3 on single-crystal and polycrystalline materials. Furthermore, the crystal structure contains layers made up of lozenge-shaped Cr 4 tetramers. Electrical resistivity measurements show the crystals to be semiconducting, with a temperature dependence consistent with a band gap of 0.3 eV. The magnetic susceptibility exhibits a broad maximum near 300 K characteristic of low dimensional magnetic systems. Weak anomalies are observed in the susceptibility and heat capacity near 55 K, and single-crystal neutron diffraction reveals the onset of long-range antiferromagnetic order at thismore » temperature. Strongly dispersive spin waves are observed in the ordered state. Significant magnetoelastic coupling is indicated by the anomalous temperature dependence of the lattice parameters and is evident in structural optimization in van der Waals density functional theory calculations for different magnetic configurations. The cleavability of the compound is apparent from its handling and is confirmed by first-principles calculations, which predict a cleavage energy 0.5 J / m 2 , similar to graphite. Based on our results, CrTe 3 is identified as a promising compound for studies of low dimensional magnetism in bulk crystals as well as magnetic order in monolayer materials and van der Waals heterostructures.« less

  12. Antiferromagnetism in the van der Waals layered spin-lozenge semiconductor CrTe 3

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    McGuire, Michael A.; Garlea, V. Ovidiu; KC, Santosh

    We have investigated the crystallographic, magnetic, and transport properties of the van der Waals bonded, layered compound CrTe 3 on single-crystal and polycrystalline materials. Furthermore, the crystal structure contains layers made up of lozenge-shaped Cr 4 tetramers. Electrical resistivity measurements show the crystals to be semiconducting, with a temperature dependence consistent with a band gap of 0.3 eV. The magnetic susceptibility exhibits a broad maximum near 300 K characteristic of low dimensional magnetic systems. Weak anomalies are observed in the susceptibility and heat capacity near 55 K, and single-crystal neutron diffraction reveals the onset of long-range antiferromagnetic order at thismore » temperature. Strongly dispersive spin waves are observed in the ordered state. Significant magnetoelastic coupling is indicated by the anomalous temperature dependence of the lattice parameters and is evident in structural optimization in van der Waals density functional theory calculations for different magnetic configurations. The cleavability of the compound is apparent from its handling and is confirmed by first-principles calculations, which predict a cleavage energy 0.5 J / m 2 , similar to graphite. Based on our results, CrTe 3 is identified as a promising compound for studies of low dimensional magnetism in bulk crystals as well as magnetic order in monolayer materials and van der Waals heterostructures.« less

  13. DOE Office of Scientific and Technical Information (OSTI.GOV)

    Felser, Claudia, E-mail: felser@cpfs.mpg.de; Wollmann, Lukas; Chadov, Stanislav

    Heusler compounds are a remarkable class of materials with more than 1000 members and a wide range of extraordinary multi-functionalities including halfmetallic high-temperature ferri- and ferromagnets, multi-ferroics, shape memory alloys, and tunable topological insulators with a high potential for spintronics, energy technologies, and magneto-caloric applications. The tunability of this class of materials is exceptional and nearly every functionality can be designed. Co{sub 2}-Heusler compounds show high spin polarization in tunnel junction devices and spin-resolved photoemission. Manganese-rich Heusler compounds attract much interest in the context of spin transfer torque, spin Hall effect, and rare earth free hard magnets. Most Mn{sub 2}-Heuslermore » compounds crystallize in the inverse structure and are characterized by antiparallel coupling of magnetic moments on Mn atoms; the ferrimagnetic order and the lack of inversion symmetry lead to the emergence of new properties that are absent in ferromagnetic centrosymmetric Heusler structures, such as non-collinear magnetism, topological Hall effect, and skyrmions. Tetragonal Heusler compounds with large magneto crystalline anisotropy can be easily designed by positioning the Fermi energy at the van Hove singularity in one of the spin channels. Here, we give a comprehensive overview and a prospective on the magnetic properties of Heusler materials.« less

  14. Combination Vancomycin/Cefazolin (VAN/CFZ) for Methicillin-Resistant Staphylococcus aureus (MRSA) Bloodstream Infections (BSI)

    PubMed Central

    Trinh, Trang D; Zasowski, Evan J; Lagnf, Abdalhamid M; Bhatia, Sahil; Dhar, Sorabh; Mynatt, Ryan; Pogue, Jason M; Rybak, Michael J

    2017-01-01

    Abstract Background VAN remains the standard for MRSA BSI but has been associated with treatment failures and resulted in prolonged BSI durations and recurrences. In vitro studies of VAN/CFZ against MRSA demonstrated synergy and prevention of VAN resistance. However, clinical use of VAN/CFZ has not been reported. The objective of this study was to compare patient outcomes treated with VAN/CFZ vs. VAN for MRSA BSI. Methods This was a retrospective, cohort, comparative-effectiveness study of hospitalized adults ≥18y with ≥1 MRSA blood culture and received VAN/CFZ combination for ≥24h or VAN alone initiated within 72h of index infection between 1/1/08 and 5/1/17. Patients who received >24h β-lactams other than CFZ, MRSA-active antibiotics other than VAN, with polymicrobial BSI, or had a second MRSA BSI episode during the study period were excluded. The primary composite failure outcome included: 30d mortality, MRSA BSI ≥7d, and 60d recurrence. Demographics were compared by Χ2, Fisher’s exact, Student’s t, or Mann–Whitney U tests. Multivariable regression models compared outcomes between the two treatment groups. Covariates with p-values ≤0.2 in bivariate analyses were included in the model. Results A total of 101 patients were included (CFZ/VAN = 41, VAN = 60). Demographics were similar except VAN patients were older (mean (±SD) age 58 (±14) v. 51 (±18) y, P = 0.04), had higher median (IQR) Charlson Comorbidity Index (3 (2-5) v. 1 (0–4), P < 0.01), APACHE II scores (13 (8-18) v. 11 (8-18), P = 0.2), and more endocarditis BSI source (37% v. 20%, P = 0.06). After accounting for BSI source, VAN/CFZ (adjusted odds ratio [aOR], 95% confidence intervals [CI], 0.33, 0.13-0.83) and low APACHE II scores (aOR 1.07, 95% CI 1–1.15) were independently associated with fewer failures. Bivariate outcomes are in table below: Variable, n (%) VAN/CFZ VAN P value Composite failure 10 (24) 31 (52) 0.006 30d mortality 3 (7.3) 5 (8.3) 1 BSI ≥7d 6 (15

  15. Detection of seasonal asymptomatic dermatophytes in Van cats.

    PubMed

    Ilhan, Ziya; Karaca, Mehmet; Ekin, Ismail Hakki; Solmaz, Hasan; Akkan, Hasan Altan; Tutuncu, Mehmet

    2016-01-01

    The Van cat is a domestic landrace found in the Van province of eastern Turkey. In this study, we aimed to determine the seasonal carriage of dermatophytes in Van cats without clinical lesions. A total of 264 hair specimens were collected from clinically healthy cats in and around the Van Province. Of these samples, 30.3% were obtained in spring, 30.6% in summer, 16.6% in autumn, and 22.3% in winter; 45.1% of samples were from male cats and the rest from female ones. Of the studied cats, 118 were younger than 1 year, 78 were 1-3 years old, and 68 were older than 3 years. The specimens were subjected to direct microscopic examination with 15% potassium hydroxide and cultured on Sabouraud dextrose agar and dermatophyte test medium supplemented with cycloheximide and chloramphenicol. Dermatophyte identification was carried out based on macroscopic and microscopic colony morphology, urease activities, in vitro hair perforation test, growth at 37°C, and pigmentation on corn meal agar. Dermatophytes were isolated from 19 (7.1%) of the 264 specimens examined. The most frequently isolated fungi were Trichophyton terrestre (4.1%), followed by Microsporum gypseum (1.1%), M. nanum (1.1%), and T. mentagrophytes (0.7%), and these fungi may represent a health risk for humans in contact with clinically healthy Van cats. M. canis was not isolated from any of the specimens. Our results show no significant (p>0.05) association between carriage of dermatophytes and the gender of cats. The carriage rate of dermatophytes was high in spring and winter, and the only possible risk factor for infection was age of the animal. Copyright © 2015 Sociedade Brasileira de Microbiologia. Published by Elsevier Editora Ltda. All rights reserved.

  16. New Results About the Earth’s Van Allen Radiation Belts

    NASA Astrophysics Data System (ADS)

    Baker, Daniel

    2015-01-01

    The first great scientific discovery of the Space Age was that the Earth is enshrouded in toroids, or 'belts', of very high-energy magnetically trapped charged particles. Early observations of the radiation environment clearly indicated that the Van Allen belts could be delineated into an inner zone dominated by high-energy protons and an outer zone dominated by high-energy electrons. Subsequent studies showed that electrons in the energy range 100 keV < E< 1 MeV often populated both the inner and outer zones with a pronounced 'slot' region relatively devoid of energetic electrons existing between them. This two-belt structure for the Van Allen moderate-energy electron component was explained as being due to strong interactions of electrons with electromagnetic waves just inside the cold plasma (plasmapause) boundary. The energy distribution, spatial extent and particle species makeup of the Van Allen belts has been subsequently explored by several space missions. However, recent observations by the NASA dual-spacecraft Van Allen Probes mission have revealed wholly unexpected properties of the radiation belts, especially at highly relativistic (E > 2 MeV) and ultra-relativistic (E > 5 MeV) kinetic energies. In this presentation we show using high spatial and temporal resolution data from the Relativistic Electron-Proton Telescope (REPT) experiment on board the Van Allen Probes that multiple belts can exist concurrently and that an exceedingly sharp inner boundary exists for ultra-relativistic electrons. Using additionally available Van Allen Probes data, we demonstrate that these remarkable features of energetic electrons are not due to a physical boundary within Earth's intrinsic magnetic field. Neither is it likely that human-generated electromagnetic transmitter wave fields might produce such effects. Rather, we conclude from these unique measurements that slow natural inward radial diffusion combined with weak, but persistent, wave-particle pitch angle

  17. Otto Van Geet | NREL

    Science.gov Websites

    Center at NREL. Otto has been involved in the design, construction, and operation of energy efficient energy use campus and community design. Mr. Van Geet was one of the founding members of the Labs21 and assessment, passive solar building design, use of design tools, photovoltaic (PV) system design

  18. Enhanced Chiral Discriminatory van der Waals Interactions Mediated by Chiral Surfaces

    NASA Astrophysics Data System (ADS)

    Barcellona, Pablo; Safari, Hassan; Salam, A.; Buhmann, Stefan Yoshi

    2017-05-01

    We predict a discriminatory interaction between a chiral molecule and an achiral molecule which is mediated by a chiral body. To achieve this, we generalize the van der Waals interaction potential between two ground-state molecules with electric, magnetic, and chiral response to nontrivial environments. The force is evaluated using second-order perturbation theory with an effective Hamiltonian. Chiral media enhance or reduce the free interaction via many-body interactions, making it possible to measure the chiral contributions to the van der Waals force with current technology. The van der Waals interaction is discriminatory with respect to enantiomers of different handedness and could be used to separate enantiomers. We also suggest a specific geometric configuration where the electric contribution to the van der Waals interaction is zero, making the chiral component the dominant effect.

  19. The ambivalence of the maternal body: psychoanalytic readings of the legend of Van Gogh.

    PubMed

    Pollock, G

    1994-08-01

    This article aims to identify the collective social investment in 'Van Gogh' as a cultural icon, and to ask what function his life story, colourfully illustrated by his art work, has performed in the West since the 1890s. It argues that the life and work of a Dutch artist have become the raw materials for a series of secular 'mystery' plays and christological psychodramas that reflect the ills of twentieth-century experience. The key moments when Van Gogh was made into a figure in a popular imagination were psychologically significant: the Depression and the immediate aftermath of World War II. 'Van Gogh', a fantasy figure of modern man, has been over-'psychologised', his work becoming only the testament to the myth of modern man. Using social-art-historical techniques, the author tries to distance this kind of reading in the case of one drawing of a peasant woman, bending over. Situating the fantasy that the drawing services in precise social and historical terms of bourgeois men formed in childhood in relation to a split feminine/maternal figure of the lady/mother and the working-class nursemaid, the article examines how to use psychoanalysis to read the formal oddities of the work--distortion and monumentality, attention to a fragmented, eroticised but also punished body--for the oscillation between pre-oedipal fantasies of maternal plenitude and awe and oedipal anxieties which sadistically inflict humiliation on the maternal body. Finally, instead of producing Van Gogh as the extreme case of an 'other', the author recognises the drawing as a space where present fantasies of the reader encounter those of the producer. Psychoanalysis informing historically-precise interpretation becomes a demythologising hermeneutic.

  20. Jacobus Schroeder van der Kolk (1797-1862): his resistance against materialism.

    PubMed

    Eling, P

    1998-07-01

    Schroeder van der Kolk is regarded as the founder of Dutch psychiatry and neurology. This paper describes his vitalistic views on the relation between body and soul, as formulated by him in a series of lectures. These lectures were intended to counteract the materialistic tendencies of some of Schroeder van der Kolk's French and German contemporaries. It is argued that Schroeder van der Kolk can be regarded as the transition in Holland from the "Naturphilosophie" approach to the modern experimental approach in physiology. Copyright 1998 Academic Press.

  1. Fundacion Bernard van Leer, Boletin Informativo, 1987-1996 (Bernard van Leer Foundation Information Bulletin).

    ERIC Educational Resources Information Center

    Fundacion Bernard van Leer, Boletin Informativo, 1996

    1996-01-01

    This document consists of ten annual Spanish Language Bulletins, published during the period 1987-1996. The early bulletins were largely composed of selections originally published in the Bernard van Lear Foundation's English-Language "Newsletter The articles discuss topics such as: (1) parents as children's first teachers; (2) health and…

  2. Nuclear spin-spin coupling in a van der Waals-bonded system: xenon dimer.

    PubMed

    Vaara, Juha; Hanni, Matti; Jokisaari, Jukka

    2013-03-14

    Nuclear spin-spin coupling over van der Waals bond has recently been observed via the frequency shift of solute protons in a solution containing optically hyperpolarized (129)Xe nuclei. We carry out a first-principles computational study of the prototypic van der Waals-bonded xenon dimer, where the spin-spin coupling between two magnetically non-equivalent isotopes, J((129)Xe - (131)Xe), is observable. We use relativistic theory at the four-component Dirac-Hartree-Fock and Dirac-density-functional theory levels using novel completeness-optimized Gaussian basis sets and choosing the functional based on a comparison with correlated ab initio methods at the nonrelativistic level. J-coupling curves are provided at different levels of theory as functions of the internuclear distance in the xenon dimer, demonstrating cross-coupling effects between relativity and electron correlation for this property. Calculations on small Xe clusters are used to estimate the importance of many-atom effects on J((129)Xe - (131)Xe). Possibilities of observing J((129)Xe - (131)Xe) in liquid xenon are critically examined, based on molecular dynamics simulation. A simplistic spherical model is set up for the xenon dimer confined in a cavity, such as in microporous materials. It is shown that the on the average shorter internuclear distance enforced by the confinement increases the magnitude of the coupling as compared to the bulk liquid case, rendering J((129)Xe - (131)Xe) in a cavity a feasible target for experimental investigation.

  3. Combinations of coupled cluster, density functionals, and the random phase approximation for describing static and dynamic correlation, and van der Waals interactions

    NASA Astrophysics Data System (ADS)

    Garza, Alejandro J.; Bulik, Ireneusz W.; Alencar, Ana G. Sousa; Sun, Jianwei; Perdew, John P.; Scuseria, Gustavo E.

    2016-04-01

    Contrary to standard coupled cluster doubles (CCD) and Brueckner doubles (BD), singlet-paired analogues of CCD and BD (denoted here as CCD0 and BD0) do not break down when static correlation is present, but neglect substantial amounts of dynamic correlation. In fact, CCD0 and BD0 do not account for any contributions from multielectron excitations involving only same-spin electrons at all. We exploit this feature to add - without introducing double counting, self-interaction, or increase in cost - the missing correlation to these methods via meta-GGA (generalised gradient approximation) density functionals (Tao-Perdew-Staroverov-Scuseria and strongly constrained and appropriately normed). Furthermore, we improve upon these CCD0+DFT blends by invoking range separation: the short- and long-range correlations absent in CCD0/BD0 are evaluated with density functional theory and the direct random phase approximation, respectively. This corrects the description of long-range van der Waals forces. Comprehensive benchmarking shows that the combinations presented here are very accurate for weakly correlated systems, while also providing a reasonable description of strongly correlated problems without resorting to symmetry breaking.

  4. The first report of the vanC₁ gene in Enterococcus faecium isolated from a human clinical specimen.

    PubMed

    Sun, Mingyue; Wang, Yue; Chen, Zhongju; Zhu, Xuhui; Tian, Lei; Sun, Ziyong

    2014-09-01

    The vanC₁ gene, which is chromosomally located, confers resistance to vancomycin and serves as a species marker for Enterococcus gallinarum. Enterococcus faecium TJ4031 was isolated from a blood culture and harbours the vanC₁gene. Polymerase chain reaction (PCR) assays were performed to detect vanXYc and vanTc genes. Only the vanXYc gene was found in the E. faecium TJ4031 isolate. The minimum inhibitory concentrations of vancomycin and teicoplanin were 2 µg/mL and 1 µg/mL, respectively. Real-time reverse transcription-PCR results revealed that the vanC₁ and vanXYc genes were not expressed. Pulsed-field gel electrophoresis and southern hybridisation results showed that the vanC₁ gene was encoded in the chromosome. E. faecalis isolated from animals has been reported to harbour vanC₁gene. However, this study is the first to report the presence of the vanC₁gene in E. faecium of human origin. Additionally, our research showed the vanC₁gene cannot serve as a species-specific gene of E. gallinarum and that it is able to be transferred between bacteria. Although the resistance marker is not expressed in the strain, our results showed that E. faecium could acquire the vanC₁gene from different species.

  5. NASA's Van Allen Probes Discover a Surprise Circling Earth

    NASA Image and Video Library

    2017-12-08

    Two giant swaths of radiation, known as the Van Allen Belts, surrounding Earth were discovered in 1958. In 2012, observations from the Van Allen Probes showed that a third belt can sometimes appear. The radiation is shown here in yellow, with green representing the spaces between the belts. Credit: NASA/Van Allen Probes/Goddard Space Flight Center To read more go to: www.nasa.gov/mission_pages/rbsp/news/third-belt.html NASA image use policy. NASA Goddard Space Flight Center enables NASA’s mission through four scientific endeavors: Earth Science, Heliophysics, Solar System Exploration, and Astrophysics. Goddard plays a leading role in NASA’s accomplishments by contributing compelling scientific knowledge to advance the Agency’s mission. Follow us on Twitter Like us on Facebook Find us on Instagram

  6. When 2D Materials Meet Molecules: Opportunities and Challenges of Hybrid Organic/Inorganic van der Waals Heterostructures.

    PubMed

    Gobbi, Marco; Orgiu, Emanuele; Samorì, Paolo

    2018-05-01

    van der Waals heterostructures, composed of vertically stacked inorganic 2D materials, represent an ideal platform to demonstrate novel device architectures and to fabricate on-demand materials. The incorporation of organic molecules within these systems holds an immense potential, since, while nature offers a finite number of 2D materials, an almost unlimited variety of molecules can be designed and synthesized with predictable functionalities. The possibilities offered by systems in which continuous molecular layers are interfaced with inorganic 2D materials to form hybrid organic/inorganic van der Waals heterostructures are emphasized. Similar to their inorganic counterpart, the hybrid structures have been exploited to put forward novel device architectures, such as antiambipolar transistors and barristors. Moreover, specific molecular groups can be employed to modify intrinsic properties and confer new capabilities to 2D materials. In particular, it is highlighted how molecular self-assembly at the surface of 2D materials can be mastered to achieve precise control over position and density of (molecular) functional groups, paving the way for a new class of hybrid functional materials whose final properties can be selected by careful molecular design. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Bernard van Leer Foundation Annual Review 1993 = Fundacion Bernard van Leer Revista Anual 1993.

    ERIC Educational Resources Information Center

    Bernard Van Leer Foundation, The Hague (Netherlands).

    This report, in both English and Spanish versions, aims to highlight the Bernard van Leer Foundation's identity, objectives, and major activities, as well as the work undertaken by the projects the foundation supports. The review features articles on the Foundation's work on advocacy, supporting families living in disadvantaged circumstances,…

  8. Linear-response time-dependent density-functional theory with pairing fields.

    PubMed

    Peng, Degao; van Aggelen, Helen; Yang, Yang; Yang, Weitao

    2014-05-14

    Recent development in particle-particle random phase approximation (pp-RPA) broadens the perspective on ground state correlation energies [H. van Aggelen, Y. Yang, and W. Yang, Phys. Rev. A 88, 030501 (2013), Y. Yang, H. van Aggelen, S. N. Steinmann, D. Peng, and W. Yang, J. Chem. Phys. 139, 174110 (2013); D. Peng, S. N. Steinmann, H. van Aggelen, and W. Yang, J. Chem. Phys. 139, 104112 (2013)] and N ± 2 excitation energies [Y. Yang, H. van Aggelen, and W. Yang, J. Chem. Phys. 139, 224105 (2013)]. So far Hartree-Fock and approximated density-functional orbitals have been utilized to evaluate the pp-RPA equation. In this paper, to further explore the fundamentals and the potential use of pairing matrix dependent functionals, we present the linear-response time-dependent density-functional theory with pairing fields with both adiabatic and frequency-dependent kernels. This theory is related to the density-functional theory and time-dependent density-functional theory for superconductors, but is applied to normal non-superconducting systems for our purpose. Due to the lack of the proof of the one-to-one mapping between the pairing matrix and the pairing field for time-dependent systems, the linear-response theory is established based on the representability assumption of the pairing matrix. The linear response theory justifies the use of approximated density-functionals in the pp-RPA equation. This work sets the fundamentals for future density-functional development to enhance the description of ground state correlation energies and N ± 2 excitation energies.

  9. Efimov states near a Feshbach resonance and the limits of van der Waals universality at finite background scattering length

    NASA Astrophysics Data System (ADS)

    Langmack, Christian; Schmidt, Richard; Zwerger, Wilhelm

    2018-03-01

    We calculate the spectrum of three-body Efimov bound states near a Feshbach resonance within a model which accounts both for the finite range of interactions and the presence of background scattering. The latter may be due to direct interactions in an open channel or a second overlapping Feshbach resonance. It is found that background scattering gives rise to substantial changes in the trimer spectrum as a function of the detuning away from a Feshbach resonance, in particular in the regime where the background channel supports Efimov states on its own. Compared to the situation with negligible background scattering, the regime where van der Waals universality applies is shifted to larger values of the resonance strength if the background scattering length is positive. For negative background scattering lengths, in turn, van der Waals universality extends to even small values of the resonance strength parameter, consistent with experimental results on Efimov states in 39K. Within a simple model, we show that short-range three-body forces do not affect van der Waals universality significantly. Repulsive three-body forces may, however, explain the observed variation between around -8 and -10 of the ratio between the scattering length where the first Efimov trimer appears and the van der Waals length.

  10. First and Second Order Stokes Generation by SRS in Methane: Influence of Rep-Rate, Beam Quality and Astigmatism (Opwekking van Eerste en Tweede Orde Stokes d.m.v. SRS in Methaan: Invloed van de Pulsfrequentie, de Bundelkwaliteit en Astigmatisme)

    DTIC Science & Technology

    1992-09-01

    omzettings rendementen van circa 75% gehaad bij een ingangs- energie van 280 mJ. De mogelijkheden tot bet halen van een hoger rendement lijken...of rep-rate, beam quality and astigmatism DImi-Thu-B~mO ITA1EiM-tT-h lF I~~ ~~’ IAPR2 8 1993~ I ~Xtbai Uiitdw FJ.M. van Putten J.C. van den Heuvel RJ.L...Influence of rep-rate. beam quality and astigmatism author(s) : F.J.M. van Putten, I.C. van den Heuvel, R.J.L. Lerou institute : TNO Physics and

  11. Van Kampen Colimits as Bicolimits in Span

    NASA Astrophysics Data System (ADS)

    Heindel, Tobias; Sobociński, Paweł

    The exactness properties of coproducts in extensive categories and pushouts along monos in adhesive categories have found various applications in theoretical computer science, e.g. in program semantics, data type theory and rewriting. We show that these properties can be understood as a single universal property in the associated bicategory of spans. To this end, we first provide a general notion of Van Kampen cocone that specialises to the above colimits. The main result states that Van Kampen cocones can be characterised as exactly those diagrams in ℂ that induce bicolimit diagrams in the bicategory of spans mathcal{S}pan_{mathbb{C}}, provided that ℂ has pullbacks and enough colimits.

  12. Flower Still Life, Maria Van Oosterwijck

    ERIC Educational Resources Information Center

    Holtrop, Emily

    2004-01-01

    This brief article describes the life of Maria van Oosterwijck. It also discusses her art and its significance and symbolism. A list of suggested activities for elementary, middle, and high school students is included.

  13. Experimental Testing of a Van De Graaff Generator as an Electromagnetic Pulse Generator

    DTIC Science & Technology

    2016-07-01

    EXPERIMENTAL TESTING OF A VAN DE GRAAFF GENERATOR AS AN ELECTROMAGNETIC PULSE GENERATOR THESIS...protection in the United States AFIT-ENP-MS-16-S-075 EXPERIMENTAL TESTING OF A VAN DE GRAAFF GENERATOR AS AN ELECTROMAGNETIC PULSE GENERATOR...RELEASE; DISTRIBUTION UNLIMITED. AFIT-ENP-MS-16-S-075 EXPERIMENTAL TESTING OF A VAN DE GRAAFF GENERATOR AS AN ELECTROMAGNETIC PULSE GENERATOR

  14. Moiré edge states in twisted graphene nanoribbons

    NASA Astrophysics Data System (ADS)

    Fleischmann, M.; Gupta, R.; Weckbecker, D.; Landgraf, W.; Pankratov, O.; Meded, V.; Shallcross, S.

    2018-05-01

    The edge physics of graphene based systems is well known to be highly sensitive to the atomic structure at the boundary, with localized zero mode edge states found only on the zigzag-type termination of the lattice. Here we demonstrate that the graphene twist bilayer supports an additional class of edge states, that (i) are found for all edge geometries and thus are robust against edge roughness, (ii) occur at energies coinciding with twist induced Van Hove singularities in the bulk and (iii) possess an electron density strongly modulated by the moiré lattice. Interestingly, these "moiré edge states" exist only for certain lattice commensurations and thus the edge physics of the twist bilayer is, in dramatic contrast to that of the bulk, not uniquely determined by the twist angle.

  15. Effect of periodic potential on exciton states in semiconductor carbon nanotubes

    DOE PAGES

    Roslyak, Oleksiy; Piryatinski, Andrei

    2016-05-28

    Here we develop a theoretical background to treat exciton states in semiconductor single-walled carbon nanotubes (SWCNTs) in the presence of a periodic potential induced by a surface acoustic wave (SAW) propagating along SWCNT. The formalism accounts for the electronic band splitting into the Floquet subbands induced by the Bragg scattering on the SAW potential. Optical transitions between the Floquet states and correlated electron–hole pairs (excitons) are numerically examined. Formation of new van Hove singularities within the edges of Floquet sub-bands and associated transfer of the exciton oscillator strengths resulting in the photoluminescence quenching are predicted. The simulations demonstrate the excitonmore » energy red Stark shift and reduction in the exciton binding energy. We provide comparison of our results with reported theoretical and experimental studies.« less

  16. Lifshitz transition and thermoelectric properties of bilayer graphene

    NASA Astrophysics Data System (ADS)

    Suszalski, Dominik; Rut, Grzegorz; Rycerz, Adam

    2018-03-01

    This is a numerical study of thermoelectric properties of ballistic bilayer graphene in the presence of a trigonal warping term in the effective Hamiltonian. We find, in the mesoscopic samples of the length L >10 μ m at sub-Kelvin temperatures, that both the Seebeck coefficient and the Lorentz number show anomalies (the additional maximum and minimum, respectively) when the electrochemical potential is close to the Lifshitz energy, which can be attributed to the presence of the van Hove singularity in a bulk density of states. At higher temperatures the anomalies vanish, but measurable quantities characterizing the remaining maximum of the Seebeck coefficient still unveil the presence of massless Dirac fermions and make it possible to determine the trigonal warping strength. Behavior of the thermoelectric figure of merit (Z T ) is also discussed.

  17. Physical properties and electronic structure of a new barium titanate suboxide Ba 1+δTi 13-δO₁₂ (δ = 0.11)

    DOE PAGES

    Rotundu, Costel R.; Jiang, Shan; Deng, Xiaoyu; ...

    2015-04-01

    The structure, transport, thermodynamic properties, x-ray absorption spectra (XAS), and electronic structure of a new barium titanate suboxide, Ba 1+δTi 13-δO₁₂ (δ = 0.11), are reported. It is a paramagnetic poor metal with hole carriers dominating the transport. Fermi liquid behavior appears at low temperature. The oxidization state of Ti obtained by the XAS is consistent with the metallic Ti²⁺ state. Local density approximation band structure calculations reveal the material is near the Van Hove singularity. The pseudogap behavior in the Ti-d band and the strong hybridization between the Ti-d and O-p orbitals reflect the characteristics of the building blocksmore » of the Ti₁₃ semi-cluster and the TiO₄ quasi-squares, respectively.« less

  18. Optical spectroscopy study of the three-dimensional Dirac semimetal ZrTe 5

    DOE PAGES

    Chen, R. Y.; Gu, G. D.; Zhang, S. J.; ...

    2015-08-05

    Three-dimensional (3D) topological Dirac materials have been under intensive study recently. The layered compound ZrTe 5 has been suggested to be one such material as a result of transport and angle-resolved photoemission spectroscopy experiments. Here, we perform infrared reflectivity measurements to investigate the underlying physics of this material. The derived optical conductivity increases linearly with frequency below normal interband transitions, which provides optical spectroscopic proof of a 3D Dirac semimetal. In addition, the plasma edge shifts dramatically to lower energy upon temperature cooling, which might be due to the shrinking of the lattice parameters. Additionally, an extremely sharp peak showsmore » up in the frequency-dependent optical conductivity, indicating the presence of a Van Hove singularity in the joint density of state.« less

  19. Reconstruction of Band Structure Induced by Electronic Nematicity in an FeSe Superconductor

    NASA Astrophysics Data System (ADS)

    Nakayama, K.; Miyata, Y.; Phan, G. N.; Sato, T.; Tanabe, Y.; Urata, T.; Tanigaki, K.; Takahashi, T.

    2014-12-01

    We have performed high-resolution angle-resolved photoemission spectroscopy on an FeSe superconductor (Tc˜8 K ), which exhibits a tetragonal-to-orthorhombic structural transition at Ts˜90 K . At low temperature, we found splitting of the energy bands as large as 50 meV at the M point in the Brillouin zone, likely caused by the formation of electronically driven nematic states. This band splitting persists up to T ˜110 K , slightly above Ts, suggesting that the structural transition is triggered by the electronic nematicity. We have also revealed that at low temperature the band splitting gives rise to a van Hove singularity within 5 meV of the Fermi energy. The present result strongly suggests that this unusual electronic state is responsible for the unconventional superconductivity in FeSe.

  20. Quasiparticle self-consistent GW study of cuprates: electronic structure, model parameters, and the two-band theory for Tc.

    PubMed

    Jang, Seung Woo; Kotani, Takao; Kino, Hiori; Kuroki, Kazuhiko; Han, Myung Joon

    2015-07-24

    Despite decades of progress, an understanding of unconventional superconductivity still remains elusive. An important open question is about the material dependence of the superconducting properties. Using the quasiparticle self-consistent GW method, we re-examine the electronic structure of copper oxide high-Tc materials. We show that QSGW captures several important features, distinctive from the conventional LDA results. The energy level splitting between d(x(2)-y(2)) and d(3z(2)-r(2)) is significantly enlarged and the van Hove singularity point is lowered. The calculated results compare better than LDA with recent experimental results from resonant inelastic xray scattering and angle resolved photoemission experiments. This agreement with the experiments supports the previously suggested two-band theory for the material dependence of the superconducting transition temperature, Tc.

  1. Aldo van Eyck’s Playgrounds: Aesthetics, Affordances, and Creativity

    PubMed Central

    Withagen, Rob; Caljouw, Simone R.

    2017-01-01

    After World War II, the Dutch architect Aldo van Eyck developed hundreds of playgrounds in the city of Amsterdam. These public playgrounds were located in parks, squares, and derelict sites, and consisted of minimalistic aesthetic play equipment that was supposed to stimulate the creativity of children. Over the last decades, these playgrounds have been studied by sociologists, theorists of art and architecture, and psychologists. Adopting an ecological approach to the human environment, it is argued that the abstract forms of van Eyck’s play sculptures indeed stimulate the creativity of the child. Whereas a slide or a swing almost dictates what a child is supposed to do, van Eyck’s play equipment invites the child to actively explore the numerous affordances (action possibilities) it provided. However, it is argued that the standardization (e.g., equal distances between blocks or bars) that tends to characterize van Eyck’ play equipment has negative effects on the playability. This standardization, which was arguably the result of the aesthetic motives of the designer, might be appealing to children when simply looking at the equipment, but it is not of overriding importance to them when playing in it. Indeed, a recent study indicates that the affordances provided by messy structures appear to have a greater appeal to playing children. PMID:28725208

  2. Electronic Structure and Properties of Deformed Carbon Nanotubes

    NASA Technical Reports Server (NTRS)

    Yang, Liu; Arnold, Jim (Technical Monitor)

    2001-01-01

    A theoretical framework based on Huckel tight-binding model has been formulated to analyze the electronic structure of carbon nanotubes under uniform deformation. The model successfully quantifies the dispersion relation, density of states and bandgap change of nanotubes under uniform stretching, compression, torsion and bending. Our analysis shows that the shifting of the Fermi point away from the Brillouin zone vertices is the key reason for these changes. As a result of this shifting, the electronic structure of deformed carbon nanotubes varies dramatically depending on their chirality and deformation mode. Treating the Fermi point as a function of strain and tube chirality, the analytical solution preserves the concise form of undeformed carbon nanotubes. It predicts the shifting, merging and splitting of the Van Hove singularities in the density of states and the zigzag pattern of bandgap change under strains. Four orbital tight-binding simulations of carbon nanotubes under uniform stretching, compression, torsion and bending have been performed to verify the analytical solution. Extension to more complex systems are being performed to relate this analytical solution to the spectroscopic characterization, device performance and proposed quantum structures induced by the deformation. The limitations of this model will also be discussed.

  3. d-Ala-d-Ser VanN-Type Transferable Vancomycin Resistance in Enterococcus faecium▿

    PubMed Central

    Lebreton, François; Depardieu, Florence; Bourdon, Nancy; Fines-Guyon, Marguerite; Berger, Pierre; Camiade, Sabine; Leclercq, Roland; Courvalin, Patrice; Cattoir, Vincent

    2011-01-01

    Enterococcus faecium UCN71, isolated from a blood culture, was resistant to low levels of vancomycin (MIC, 16 μg/ml) but susceptible to teicoplanin (MIC, 0.5 μg/ml). No amplification was observed with primers specific for the previously described glycopeptide resistance ligase genes, but a PCR product corresponding to a gene called vanN was obtained using degenerate primers and was sequenced. The deduced VanN protein was related (65% identity) to the d-alanine:d-serine VanL ligase. The organization of the vanN gene cluster, determined using degenerate primers and by thermal asymmetric interlaced (TAIL)-PCR, was similar to that of the vanC operons. A single promoter upstream from the resistance operon was identified by rapid amplification of cDNA ends (RACE)-PCR. The presence of peptidoglycan precursors ending in d-serine and d,d-peptidase activities in the absence of vancomycin indicated constitutive expression of the resistance operon. VanN-type resistance was transferable by conjugation to E. faecium. This is the first report of transferable d-Ala-d-Ser-type resistance in E. faecium. PMID:21807981

  4. Quantum synchronization of quantum van der Pol oscillators with trapped ions.

    PubMed

    Lee, Tony E; Sadeghpour, H R

    2013-12-06

    The van der Pol oscillator is the prototypical self-sustained oscillator and has been used to model nonlinear behavior in biological and other classical processes. We investigate how quantum fluctuations affect phase locking of one or many van der Pol oscillators. We find that phase locking is much more robust in the quantum model than in the equivalent classical model. Trapped-ion experiments are ideally suited to simulate van der Pol oscillators in the quantum regime via sideband heating and cooling of motional modes. We provide realistic experimental parameters for 171Yb+ achievable with current technology.

  5. EDITORIAL: Van der Waals interactions in advanced materials, in memory of David C Langreth Van der Waals interactions in advanced materials, in memory of David C Langreth

    NASA Astrophysics Data System (ADS)

    Hyldgaard, Per; Rahman, Talat S.

    2012-10-01

    The past decade has seen a dramatic rise in interest in exploring the role that van der Waals (vdW) or dispersion forces play in materials and in material behavior. Part of this stems from the obvious fact that vdW interactions (and other weak forces, such as Casimir) underpin molecular recognition, i.e., nature's approach to search for a match between genes and anti-genes and hence enable biological function. Less obvious is the recognition that vdW interactions affect a multitude of properties of a vast variety of materials in general, some of which also have strong technological applications. While for two atom- or orbital-sized material fragments the dispersive contributions to binding are small compared to those from the better known forms (ionic, covalent, metallic), those between sparse materials (spread over extended areas) can be of paramount importance. For example, an understanding of binding in graphite cannot arise solely from a study of the graphene layers individually, but also requires insight from inter-sheet graphene vdW bonding. It is the extended-area vdW bonding that provides sufficient cohesion to make graphite a robust, naturally occurring material. In fact, it is the vdW-bonded graphite, and not the all-covalently bonded diamond, that is the preferred form of pure carbon under ambient conditions. Also important is the understanding that vdW attraction can attain a dramatic relevance even if the material fragments, the building blocks, are not necessarily parallel from the outset or smooth when viewed in isolation (such as a graphene sheet or a carbon nanotube). This can happen if the building blocks have some softness and flexibility and allow an internal relative alignment to emerge. The vdW forces can then cause increasingly larger parts of the interacting fragments to line up at sub-nanometer separations and thus beget more areas with a sizable vdW bonding contribution. The gecko can scale a wall because it can bring its flexible hairs

  6. Colossal terahertz nonlinearity of tunneling van der Waals gap (Conference Presentation)

    NASA Astrophysics Data System (ADS)

    Bahk, Young-Mi; Kang, Bong Joo; Kim, Yong Seung; Kim, Joon-Yeon; Kim, Won Tae; Kim, Tae Yun; Kang, Taehee; Rhie, Ji Yeah; Han, Sanghoon; Park, Cheol-Hwan; Rotermund, Fabian; Kim, Dai-Sik

    2016-09-01

    We manufactured an array of three angstrom-wide, five millimeter-long van der Waals gaps of copper-graphene-copper composite, in which unprecedented nonlinearity was observed. To probe and manipulate van der Waals gaps with long wavelength electromagnetic waves such as terahertz waves, one is required to fabricate vertically oriented van der Waals gaps sandwiched between two metal planes with an infinite length in the sense of being much larger than any of the wavelengths used. By comparison with the simple vertical stacking of metal-graphene-metal structure, in our structure, background signals are completely blocked enabling all the light to squeeze through the gap without any strays. When the angstrom-sized van der Waals gaps are irradiated with intense terahertz pulses, the transient voltage across the gap reaches up to 5 V with saturation, sufficiently strong to deform the quantum barrier of angstrom gaps. The large transient potential difference across the gap facilitates electron tunneling through the quantum barrier, blocking terahertz waves completely. This negative feedback of electron tunneling leads to colossal nonlinear optical response, a 97% decrease in the normalized transmittance. Our technology for infinitely long van der Waals gaps can be utilized for other atomically thin materials than single layer graphene, enabling linear and nonlinear angstrom optics in a broad spectral range.

  7. Amplitude and phase fluctuations of Van der Pol oscillator under external random forcing

    NASA Astrophysics Data System (ADS)

    Singh, Aman K.; Yadava, R. D. S.

    2018-05-01

    The paper presents an analytical study of noise in Van der Pol oscillator output subjected to an external force noise assumed to be characterized by delta function (white noise). The external fluctuations are assumed to be small in comparison to the average response of the noise free system. The autocorrelation function and power spectrum are calculated under the condition of weak nonlinearity. The latter ensures limit cycle oscillations. The total spectral power density is dominated by the contributions from the phase fluctuations. The amplitude fluctuations are at least two orders of magnitude smaller. The analysis is shown to be useful to interpretation microcantilever based biosensing data.

  8. Application of Diffusion Monte Carlo to Materials Dominated by van der Waals Interactions

    DOE PAGES

    Benali, Anouar; Shulenburger, Luke; Romero, Nichols A.; ...

    2014-06-12

    Van der Waals forces are notoriously difficult to account for from first principles. We perform extensive calculation to assess the usefulness and validity of diffusion quantum Monte Carlo when applied to van der Waals forces. We present results for noble gas solids and clusters - archetypical van der Waals dominated assemblies, as well as a relevant pi-pi stacking supramolecular complex: DNA + intercalating anti-cancer drug Ellipticine.

  9. Proteomic characterization of vanA-containing Enterococcus recovered from Seagulls at the Berlengas Natural Reserve, W Portugal.

    PubMed

    Radhouani, Hajer; Poeta, Patrícia; Pinto, Luís; Miranda, Júlio; Coelho, Céline; Carvalho, Carlos; Rodrigues, Jorge; López, María; Torres, Carmen; Vitorino, Rui; Domingues, Pedro; Igrejas, Gilberto

    2010-09-21

    Enterococci have emerged as the third most common cause of nosocomial infections, requiring bactericidal antimicrobial therapy. Although vancomycin resistance is a major problem in clinics and has emerged in an important extend in farm animals, few studies have examined it in wild animals. To determine the prevalence of vanA-containing Enterococcus strains among faecal samples of Seagulls (Larus cachinnans) of Berlengas Natural Reserve of Portugal, we developed a proteomic approach integrated with genomic data. The purpose was to detect the maximum number of proteins that vary in different enterococci species which are thought to be connected in some, as yet unknown, way to antibiotic resistance. From the 57 seagull samples, 54 faecal samples showed the presence of Enterococcus isolates (94.7%). For the enterococci, E. faecium was the most prevalent species in seagulls (50%), followed by E. faecalis and E. durans (10.4%), and E. hirae (6.3%). VanA-containing enterococcal strains were detected in 10.5% of the 57 seagull faecal samples studied. Four of the vanA-containing enterococci were identified as E. faecium and two as E. durans. The tet(M) gene was found in all five tetracycline-resistant vanA strains. The erm(B) gene was demonstrated in all six erythromycin-resistant vanA strains. The hyl virulence gene was detected in all four vanA-containing E. faecium isolates in this study, and two of them harboured the purK1 allele. In addition these strains also showed ampicillin and ciprofoxacin resistance. The whole-cell proteomic profile of vanA-containing Enterococcus strains was applied to evaluate the discriminatory power of this technique for their identification. The major differences among species-specific profiles were found in the positions corresponding to 97-45 kDa. Sixty individualized protein spots for each vanA isolate was identified and suitable for peptide mass fingerprinting measures by spectrometry measuring (MALDI/TOF MS) and their identification

  10. Proteomic characterization of vanA-containing Enterococcus recovered from Seagulls at the Berlengas Natural Reserve, W Portugal

    PubMed Central

    2010-01-01

    Background Enterococci have emerged as the third most common cause of nosocomial infections, requiring bactericidal antimicrobial therapy. Although vancomycin resistance is a major problem in clinics and has emerged in an important extend in farm animals, few studies have examined it in wild animals. To determine the prevalence of vanA-containing Enterococcus strains among faecal samples of Seagulls (Larus cachinnans) of Berlengas Natural Reserve of Portugal, we developed a proteomic approach integrated with genomic data. The purpose was to detect the maximum number of proteins that vary in different enterococci species which are thought to be connected in some, as yet unknown, way to antibiotic resistance. Results From the 57 seagull samples, 54 faecal samples showed the presence of Enterococcus isolates (94.7%). For the enterococci, E. faecium was the most prevalent species in seagulls (50%), followed by E. faecalis and E. durans (10.4%), and E. hirae (6.3%). VanA-containing enterococcal strains were detected in 10.5% of the 57 seagull faecal samples studied. Four of the vanA-containing enterococci were identified as E. faecium and two as E. durans. The tet(M) gene was found in all five tetracycline-resistant vanA strains. The erm(B) gene was demonstrated in all six erythromycin-resistant vanA strains. The hyl virulence gene was detected in all four vanA-containing E. faecium isolates in this study, and two of them harboured the purK1 allele. In addition these strains also showed ampicillin and ciprofoxacin resistance. The whole-cell proteomic profile of vanA-containing Enterococcus strains was applied to evaluate the discriminatory power of this technique for their identification. The major differences among species-specific profiles were found in the positions corresponding to 97-45 kDa. Sixty individualized protein spots for each vanA isolate was identified and suitable for peptide mass fingerprinting measures by spectrometry measuring (MALDI/TOF MS) and their

  11. Heterologous expression of glycopeptide resistance vanHAX gene clusters from soil bacteria in Enterococcus faecalis.

    PubMed

    Hasman, Henrik; Aarestrup, Frank M; Dalsgaard, Anders; Guardabassi, Luca

    2006-04-01

    The aim of the study was to determine whether glycopeptide resistance gene clusters from soil bacteria could be heterologously expressed in Enterococcus faecalis and adapt to the new host following exposure to vancomycin. The vanHAX clusters from Paenibacillus thiaminolyticus PT-2B1, Paenibacillus apiarius PA-B2B and Amycolatopsis coloradensis DSM 44225 were separately cloned in an appropriately constructed shuttle vector containing the two-component regulatory system (vanRS) of Tn1546. The complete vanA(PT) operon (vanRSHAXY) from P. thiaminolyticus PT-2B1 was cloned in the same shuttle vector lacking enterococcal vanRS. All plasmid constructs were electroporated into E. faecalis JH2-2 and the MICs of vancomycin and teicoplanin were determined for each recombinant strain before and following exposure to sublethal concentrations of vancomycin. The vanHAX clusters from P. thiaminolyticus and P. apiarius conferred high-level vancomycin resistance (MIC > or = 125 mg/L) in E. faecalis JH2-2. In contrast, cloning of the vanHAX cluster from A. coloradensis did not result in a significant increase of vancomycin resistance (MIC = 0.7 mg/L). Resistance to vancomycin was not observed after cloning the complete vanA(PT) operon from P. thiaminolyticus (MIC = 2 mg/L), but this recombinant rapidly adapted to high concentrations of vancomycin (MIC = 500 mg/L) following exposure to sub-lethal concentrations of this antibiotic. The results showed that vanA(PT) in P. thiaminolyticus is a possible ancestor of vanA-mediated glycopeptide resistance in enterococci. Experimental evidence supported the hypothesis that enterococci did not acquire glycopeptide resistance directly from glycopeptide-producing organisms such as A. coloradensis.

  12. Strong interlayer coupling in phosphorene/graphene van der Waals heterostructure: A first-principles investigation

    NASA Astrophysics Data System (ADS)

    Hu, Xue-Rong; Zheng, Ji-Ming; Ren, Zhao-Yu

    2018-04-01

    Based on first-principles calculations within the framework of density functional theory, we study the electronic properties of phosphorene/graphene heterostructures. Band gaps with different sizes are observed in the heterostructure, and charges transfer from graphene to phosphorene, causing the Fermi level of the heterostructure to shift downward with respect to the Dirac point of graphene. Significantly, strong coupling between two layers is discovered in the band spectrum even though it has a van der Waals heterostructure. A tight-binding Hamiltonian model is used to reveal that the resonance of the Bloch states between the phosphorene and graphene layers in certain K points combines with the symmetry matching between band states, which explains the reason for the strong coupling in such heterostructures. This work may enhance the understanding of interlayer interaction and composition mechanisms in van der Waals heterostructures consisting of two-dimensional layered nanomaterials, and may indicate potential reference information for nanoelectronic and optoelectronic applications.

  13. Cosmological models constructed by van der Waals fluid approximation and volumetric expansion

    NASA Astrophysics Data System (ADS)

    Samanta, G. C.; Myrzakulov, R.

    The universe modeled with van der Waals fluid approximation, where the van der Waals fluid equation of state contains a single parameter ωv. Analytical solutions to the Einstein’s field equations are obtained by assuming the mean scale factor of the metric follows volumetric exponential and power-law expansions. The model describes a rapid expansion where the acceleration grows in an exponential way and the van der Waals fluid behaves like an inflation for an initial epoch of the universe. Also, the model describes that when time goes away the acceleration is positive, but it decreases to zero and the van der Waals fluid approximation behaves like a present accelerated phase of the universe. Finally, it is observed that the model contains a type-III future singularity for volumetric power-law expansion.

  14. Crater Wall in Van de Graaff

    NASA Image and Video Library

    2010-02-11

    This image taken NASA Lunar Reconnaissance Orbiter shows the wall of crater Van de Graaff C, where brighter material is exposed by more active processes associated with steeper slopes, recent small craters, and even individual rolling boulders.

  15. Polyclonal emergence of vanA vancomycin-resistant Enterococcus faecium in Australia.

    PubMed

    van Hal, Sebastiaan J; Espedido, Björn A; Coombs, Geoffrey W; Howden, Benjamin P; Korman, Tony M; Nimmo, Graeme R; Gosbell, Iain B; Jensen, Slade O

    2017-04-01

    To investigate the genetic context associated with the emergence of vanA VRE in Australia. The whole genomes of 18 randomly selected vanA -positive Enterococcus faecium patient isolates, collected between 2011 and 2013 from hospitals in four Australian capitals, were sequenced and analysed. In silico typing and transposon/plasmid assembly revealed that the sequenced isolates represented (in most cases) different hospital-adapted STs and were associated with a variety of different Tn 1546 variants and plasmid backbone structures. The recent emergence of vanA VRE in Australia was polyclonal and not associated with the dissemination of a single 'dominant' ST or vanA -encoding plasmid. Interestingly, the factors contributing to this epidemiological change are not known and future studies may need to consider investigation of potential community sources. © The Author 2016. Published by Oxford University Press on behalf of the British Society for Antimicrobial Chemotherapy. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

  16. Storings analyse Ten Behoeve van het Materieelverzorgingsplan (Failure Analysis for the Maintenance Plan)

    DTIC Science & Technology

    1990-05-01

    oporachtnemer verwezen naar de ’Algemone Voorwaarden voor Onderzoeks- opdrachten TNO’. dan wet de betreflende terzake fijasen partlijen gesloten * 11 ...ixvulling van het onderhoudsschema 9 2.4 Invulling van het onderhoudsschema in de praktijk 14 2.5 Gonclusies 16 3 STORINGSANALYSES 18 3.1 ’Failure mode...nnfd- en subgroep (dit is een opdeling van bet systeem naar functioneel sanienhangende delen). Pa gina 9 - Het onderhoudsniveau waar jedere

  17. Theory of coherent van der Waals matter.

    PubMed

    Kulić, Igor M; Kulić, Miodrag L

    2014-12-01

    We explain in depth the previously proposed theory of the coherent van der Waals (cvdW) interaction, the counterpart of van der Waals (vdW) force, emerging in spatially coherently fluctuating electromagnetic fields. We show that cvdW driven matter is dominated by many-body interactions, which are significantly stronger than those found in standard van der Waals (vdW) systems. Remarkably, the leading two- and three-body interactions are of the same order with respect to the distance (∝R(-6)), in contrast to the usually weak vdW three-body effects (∝R(-9)). From a microscopic theory we show that the anisotropic cvdW many-body interactions drive the formation of low-dimensional structures such as chains, membranes, and vesicles with very unusual, nonlocal properties. In particular, cvdW chains display a logarithmically growing stiffness with the chain length, while cvdW membranes have a bending modulus growing linearly with their size. We argue that the cvdW anisotropic many-body forces cause local cohesion but also a negative effective "surface tension." We conclude by deriving the equation of state for cvdW materials and propose experiments to test the theory, in particular the unusual three-body nature of cvdW.

  18. Theory of coherent van der Waals matter

    NASA Astrophysics Data System (ADS)

    Kulić, Igor M.; Kulić, Miodrag L.

    2014-12-01

    We explain in depth the previously proposed theory of the coherent van der Waals (cvdW) interaction, the counterpart of van der Waals (vdW) force, emerging in spatially coherently fluctuating electromagnetic fields. We show that cvdW driven matter is dominated by many-body interactions, which are significantly stronger than those found in standard van der Waals (vdW) systems. Remarkably, the leading two- and three-body interactions are of the same order with respect to the distance (∝R-6) , in contrast to the usually weak vdW three-body effects (∝R-9 ). From a microscopic theory we show that the anisotropic cvdW many-body interactions drive the formation of low-dimensional structures such as chains, membranes, and vesicles with very unusual, nonlocal properties. In particular, cvdW chains display a logarithmically growing stiffness with the chain length, while cvdW membranes have a bending modulus growing linearly with their size. We argue that the cvdW anisotropic many-body forces cause local cohesion but also a negative effective "surface tension." We conclude by deriving the equation of state for cvdW materials and propose experiments to test the theory, in particular the unusual three-body nature of cvdW.

  19. van Maanen, Adriaan (1884-1947)

    NASA Astrophysics Data System (ADS)

    Murdin, P.

    2000-11-01

    Dutch astronomer, became a member of the Mount Wilson staff, and studied the rotation of spiral nebulae as a means to establish their distances. His detection of rotational motions was illusory and misleadingly suggested that they were relatively nearby. Through its proper motion and parallax, he discovered the white dwarf van Maanen's star....

  20. A revision of the tribe Planitorini van Achterberg (Hymenoptera, Braconidae, Euphorinae), with description of a new genus from Australia.

    PubMed

    van Achterberg, Cornelis; Quicke, Donald L J; Boring, C Andrew

    2017-01-01

    The tribe Planitorini van Achterberg (Hymenoptera: Braconidae: Euphorinae) is revised. One new genus Paramannokeraia gen. n. (type species: P. gibsoni sp. n. ) and five new species from Australia are described and illustrated: Mannokeraia albipalpis van Achterberg, sp. n. , M. nigrita van Achterberg, sp. n. , M. punctata van Achterberg, sp. n. , Paramannokeraia gibsoni van Achterberg & Quicke, sp. n. and P. juliae van Achterberg, sp. n. The tribe Mannokeraiini van Achterberg, 1995, is synonymized with the tribe Planitorini ( syn. n. ).

  1. Science, Sex, and Pictures: Reflections on Van Fraassen's Use of Perspectival Representations

    NASA Astrophysics Data System (ADS)

    Okruhlik, Kathleen

    2014-03-01

    Bas van Fraassen's brand of empiricism, as articulated in his well-known constructive empiricism and his more recent empiricist structuralism, has been developed using the so-called semantic approach to scientific theories. This approach has allowed van Fraassen to espouse quite a robust form of non-realism about unobservable entities while avoiding some of the problems that contributed to the demise of logical empiricism. I shall argue, however, that in other respects van Fraassen replicates many of the serious shortcomings associated with the earlier tradition -- despite the fact that his choice of language sometimes obscures those similarities. Because van Fraassen's empiricist structuralism is much less well-known than his constructive empiricism, the rather lengthy first section of this paper provides an overview and initial assessment of that position. Subsequent sections deal with the ways in which van Fraassen's very sophisticated form of empiricism not only fails to address some of the most serious shortcomings of logical empiricism but actually reinforces them. The chief focus is on the failure to address issues that arise from the historical and social contexts within which science is pursued -- this despite a vocabulary rich in references to perspectivity, pragmatics, context, use, and aims.

  2. A revision of the tribe Planitorini van Achterberg (Hymenoptera, Braconidae, Euphorinae), with description of a new genus from Australia

    PubMed Central

    van Achterberg, Cornelis; Quicke, Donald L.J.; Boring, C. Andrew

    2017-01-01

    Abstract The tribe Planitorini van Achterberg (Hymenoptera: Braconidae: Euphorinae) is revised. One new genus Paramannokeraia gen. n. (type species: P. gibsoni sp. n.) and five new species from Australia are described and illustrated: Mannokeraia albipalpis van Achterberg, sp. n., M. nigrita van Achterberg, sp. n., M. punctata van Achterberg, sp. n., Paramannokeraia gibsoni van Achterberg & Quicke, sp. n. and P. juliae van Achterberg, sp. n. The tribe Mannokeraiini van Achterberg, 1995, is synonymized with the tribe Planitorini (syn. n.). PMID:29290713

  3. Reply to “Statistical evaluation of the VAN Method using the historic earthquake catalog in Greece,” by Richard L. Aceves, Stephen K. Park and David J. Strauss

    NASA Astrophysics Data System (ADS)

    Varotsos, P.; Lazaridou, M.

    The pioneering calculation by Aceves et al. [1996] shed light on the main question of this debate, i.e., on whether “VAN predictions can be ascribed to chance.” Aceves et al. [1996] conclude that “the VAN method has resulted in a significantly higher prediction rate than randomly sampling a PDF (probability density function) map generated from a 25 year history of earthquakes.” After investigating the totality of VAN predictions issued during the period 1987-1989, Aceves et al. [1996] found: “The prediction rate for the VAN method clearly exceeds that from the random model at all time lags between 5-22 days. At a 5 day time lag, the VAN prediction rate of 35.7% has a P-value of less than 0.06%. This means that a random model does as well as does the VAN method less than 0.06% of the time. At 22 days, the prediction rate of 67.9% has a P-value of less than 0.07%.” These conclusions basically coincide with those of Hamada [1993] although Aceves et al. [1996] followed different procedures. They are also in fundamental agreement with the results of Honkura and Tanaka [1996]. Another important conclusion of Aceves et al. [1996] is that, after declustering the earthquake catalog and prediction list from aftershocks, “VAN method is still formally significant.”

  4. A Case of Brown-Vialetto-Van Laere Syndrome Due To a Novel Mutation in SLC52A3 Gene

    PubMed Central

    Thulasi, Venkatraman; Veerapandiyan, Aravindhan; Pletcher, Beth A.; Tong, Chun M.

    2017-01-01

    Brown-Vialetto-Van Laere syndrome is a rare disorder characterized by motor, sensory, and cranial neuronopathies, associated with mutations in SLC52A2 and SLC52A3 genes that code for human riboflavin transporters RFVT2 and RFVT3, respectively. The authors describe the clinical course of a 6-year-old girl with Brown-Vialetto-Van Laere syndrome and a novel homozygous mutation c.1156T>C in the SLC52A3 gene, who presented at the age of 2.5 years with progressive brain stem dysfunction including ptosis, facial weakness, hearing loss, dysphagia, anarthria with bilateral vocal cord paralysis, and ataxic gait. She subsequently developed respiratory failure requiring tracheostomy and worsening dysphagia necessitating a gastrostomy. Following riboflavin supplementation, resolution of facial diplegia and ataxia, improvements in ptosis, and bulbar function including vocalization and respiration were noted. However, her sensorineural hearing loss remained unchanged. Similar to other cases of Brown-Vialetto-Van Laere syndrome, our patient responded favorably to early riboflavin supplementation with significant but not complete neurologic recovery. PMID:28856173

  5. [Johann van Beethoven (1776-1848)].

    PubMed

    Eikermann, Erika

    2012-01-01

    The article about the life and achievements of the apothecary Johann van Beethoven, the younger brother of the composer Ludwig van Beethoven, depicts a vivid picture of life in the 18th, 19t century. Research on archived original documents in Bonn, Vienna and Linz on the Danube made it possible to reveal details about the relationship inside this famous family and describes the hurdles of life of a successful apothecary. In 1776 Johann van Beethoven was born as the fourth child of the Beethoven family, a family of Bonner musicians. In 1790 he began his apprenticeship to become an apothecary at the Bonner "Hofapotheke". Towards the end of 1795 he moved to join his older brothers Ludwig and Karl in Vienna. During his time there he worked as a "subject" in various Viennese pharmacies. However in 1808 he purchased the pharmacy "Zur Goldenen Krone" in Linz on the Danube. His new pharmacy flourished, supplying first the Napoleonic occupation troops, and later the Austrian Military with medicines and field dressing/bandage materials. When in 1812 he married his Housekeeper, his Brother Ludwig opposed harshly, on reasons of social status and on moral grounds. Four years later, in 1816 Johann sold the pharmacy in Linz and founded a new pharmacy in Urfahr, on the opposite bank of the Danube. In 1819 he became a squire (or landowner), when he purchased a manor estate in Gneixendorf, near Krems on the Danube. In spite of his numerous duties as an apothecary and squire, Johann was frequently resident in Vienna, supporting his brother both emotionally and pharmaceutically. At the end of his life Johann sold both his pharmacy and the Gneixendorf estate, and spent his last years as a private gentleman living a dazzling lifestyle in Vienna. He died on January 12th 1848 and was buried in Vienna's "Waldmüllerpark".

  6. Brown-Vialetto-Van Laere syndrome.

    PubMed

    Francis, D A; Ponsford, J R; Wiles, C M; Thomas, P K; Duchen, L W

    1993-02-01

    The clinical and pathological findings of a male with the Brown-Vialetto-Van Laere syndrome are described. This rare and fatal affection of the nervous system involves mainly the brain stem with the prominent and early manifestation of sensorineural deafness. Increased awareness and documentation of this disorder has added information on the mode of inheritance.

  7. Van vleck paramagnetism in orthorhombic TiO2 (Brookite)

    USGS Publications Warehouse

    Senftle, F.E.; Thorpe, A.N.

    1968-01-01

    The magnetic susceptibility of the orthorhombic form of titanium dioxide has been measured from 5 to 300??K. After deducting the temperature-dependent component, which is probably due to defects or impurities, and the free-ion diamagnetic component, the Van Vleck paramagnetism was estimated to be 33??10-6 emu/mole. Comparison is made between this value and the Van Vleck paramagnetism of strontium titanate and the two tetragonal forms of titanium dioxide: rutile and anatase. ?? 1968 The American Physical Society.

  8. Implication of Two-Coupled Differential Van der Pol Duffing Oscillator in Weak Signal Detection

    NASA Astrophysics Data System (ADS)

    Peng, Hang-hang; Xu, Xue-mei; Yang, Bing-chu; Yin, Lin-zi

    2016-04-01

    The principle of the Van der Pol Duffing oscillator for state transition and for determining critical value is described, which has been studied to indicate that the application of the Van der Pol Duffing oscillator in weak signal detection is feasible. On the basis of this principle, an improved two-coupled differential Van der Pol Duffing oscillator is proposed which can identify signals under any frequency and ameliorate signal-to-noise ratio (SNR). The analytical methods of the proposed model and the construction of the proposed oscillator are introduced in detail. Numerical experiments on the properties of the proposed oscillator compared with those of the Van der Pol Duffing oscillator are carried out. Our numerical simulations have confirmed the analytical treatment. The results demonstrate that this novel oscillator has better detection performance than the Van der Pol Duffing oscillator.

  9. J. H. Van Vleck and Magnetism at the University of Wisconsin: 1928 -1934

    NASA Astrophysics Data System (ADS)

    Huber, David

    2011-03-01

    In 1928, John Van Vleck returned to his alma mater to take a position in the Physics Department. Six years later he left to join the faculty of Harvard University. While Van Vleck was at Wisconsin, he began a series of theoretical studies that helped lay the foundation for the modern theory of magnetism in solids. In 1932 Van Vleck published his celebrated monograph, The Theory of Electric and Magnetic Susceptibilities, in which he made use of the new theory to explain the results of experimental studies in a variety of magnetic materials. In my talk, I will review the accomplishments of Van Vleck and his students during this period and also comment briefly on his notes for a second edition of the book.

  10. Spacecraft-level verification of the Van Allen Probes' RF communication system

    NASA Astrophysics Data System (ADS)

    Crowne, M. J.; Srinivasan, D.; Royster, D.; Weaver, G.; Matlin, D.; Mosavi, N.

    This paper presents the verification process, lessons learned, and selected test results of the radio frequency (RF) communication system of the Van Allen Probes, formerly known as the Radiation Belt Storm Probes (RBSP). The Van Allen Probes mission is investigating the doughnut-shaped regions of space known as the Van Allen radiation belts where the Sun interacts with charged particles trapped in Earth's magnetic field. Understanding this dynamic area that surrounds our planet is important to improving our ability to design spacecraft and missions for reliability and astronaut safety. The Van Allen Probes mission features two nearly identical spacecraft designed, built, and operated by the Johns Hopkins University Applied Physics Laboratory (JHU/APL) for the National Aeronautics and Space Administration (NASA). The RF communication system features the JHU/APL Frontier Radio. The Frontier Radio is a software-defined radio (SDR) designed for spaceborne communications, navigation, radio science, and sensor applications. This mission marks the first spaceflight usage of the Frontier Radio. RF ground support equipment (RF GSE) was developed using a ground station receiver similar to what will be used in flight and whose capabilities provided clarity into RF system performance that was previously not obtained until compatibility testing with the ground segments. The Van Allen Probes underwent EMC, acoustic, vibration, and thermal vacuum testing at the environmental test facilities at APL. During this time the RF communication system was rigorously tested to ensure optimal performance, including system-level testing down to threshold power levels. Compatibility tests were performed with the JHU/APL Satellite Communication Facility (SCF), the Universal Space Network (USN), and the Tracking and Data Relay Satellite System (TDRSS). Successful completion of this program as described in this paper validated the design of the system and demonstrated that it will be able to me

  11. Cylinders and Seances: Elise van Calcar and the Spirit of Froebel

    ERIC Educational Resources Information Center

    Bakker, Nelleke

    2013-01-01

    This essay discusses the life and work of Elise van Calcar (1822-1904), a writer and maternal feminist who introduced Froebel's kindergarten in the Netherlands. Van Calcar also was the leader of a Christian branch of spiritualism. The focus is pointed at parallels between her reading of Froebel and of "messages" from spirits in the…

  12. 15 CFR 30.26 - Reporting of vessels, aircraft, cargo vans, and other carriers and containers.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... vehicles, trailers, pallets, cargo vans, lift vans, or similar shipping containers are not considered... 15 Commerce and Foreign Trade 1 2014-01-01 2014-01-01 false Reporting of vessels, aircraft, cargo vans, and other carriers and containers. 30.26 Section 30.26 Commerce and Foreign Trade Regulations...

  13. 15 CFR 30.26 - Reporting of vessels, aircraft, cargo vans, and other carriers and containers.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... vehicles, trailers, pallets, cargo vans, lift vans, or similar shipping containers are not considered... 15 Commerce and Foreign Trade 1 2012-01-01 2012-01-01 false Reporting of vessels, aircraft, cargo vans, and other carriers and containers. 30.26 Section 30.26 Commerce and Foreign Trade Regulations...

  14. 15 CFR 30.26 - Reporting of vessels, aircraft, cargo vans, and other carriers and containers.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... vehicles, trailers, pallets, cargo vans, lift vans, or similar shipping containers are not considered... 15 Commerce and Foreign Trade 1 2013-01-01 2013-01-01 false Reporting of vessels, aircraft, cargo vans, and other carriers and containers. 30.26 Section 30.26 Commerce and Foreign Trade Regulations...

  15. 15 CFR 30.26 - Reporting of vessels, aircraft, cargo vans, and other carriers and containers.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... vehicles, trailers, pallets, cargo vans, lift vans, or similar shipping containers are not considered... 15 Commerce and Foreign Trade 1 2010-01-01 2010-01-01 false Reporting of vessels, aircraft, cargo vans, and other carriers and containers. 30.26 Section 30.26 Commerce and Foreign Trade Regulations...

  16. 15 CFR 30.26 - Reporting of vessels, aircraft, cargo vans, and other carriers and containers.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... vehicles, trailers, pallets, cargo vans, lift vans, or similar shipping containers are not considered... 15 Commerce and Foreign Trade 1 2011-01-01 2011-01-01 false Reporting of vessels, aircraft, cargo vans, and other carriers and containers. 30.26 Section 30.26 Commerce and Foreign Trade Regulations...

  17. Dynamical screening of the van der Waals interaction between graphene layers.

    PubMed

    Dappe, Y J; Bolcatto, P G; Ortega, J; Flores, F

    2012-10-24

    The interaction between graphene layers is analyzed combining local orbital DFT and second order perturbation theory. For this purpose we use the linear combination of atomic orbitals-orbital occupancy (LCAO-OO) formalism, that allows us to separate the interaction energy as the sum of a weak chemical interaction between graphene layers plus the van der Waals interaction (Dappe et al 2006 Phys. Rev. B 74 205434). In this work, the weak chemical interaction is calculated by means of corrected-LDA calculations using an atomic-like sp(3)d(5) basis set. The van der Waals interaction is calculated by means of second order perturbation theory using an atom-atom interaction approximation and the atomic-like-orbital occupancies. We also analyze the effect of dynamical screening in the van der Waals interaction using a simple model. We find that this dynamical screening reduces by 40% the van der Waals interaction. Taking this effect into account, we obtain a graphene-graphene interaction energy of 70 ± 5 meV/atom in reasonable agreement with the experimental evidence.

  18. Particle Energization in Earth's Van Allen Radiation Belts Due to Solar Wind Forcing

    NASA Astrophysics Data System (ADS)

    Baker, D. N.

    2017-12-01

    Early observations of the Earth's radiation environment clearly indicated that the Van Allen belts could be delineated into an inner zone dominated by high-energy protons and an outer zone dominated by high-energy electrons. The energy distribution, spatial extent and particle species makeup of the Van Allen belts has been subsequently explored by several space missions. However, recent observations by the NASA dual-spacecraft Van Allen Probes mission have revealed unexpected properties of the radiation belts, especially for electrons at highly relativistic (E > 2 MeV) and ultra-relativistic (E > 5 MeV) kinetic energies. In this presentation we show using high spatial and temporal resolution data from the experiments on board the Van Allen Probes that multiple belts can exist concurrently and that an exceedingly sharp inner boundary exists for ultra-relativistic electrons. Using additionally available Van Allen Probes data, we demonstrate that these remarkable features of energetic electrons are driven by strong solar and solar wind forcings. The comprehensive Van Allen Probes data show more broadly and in many ways how extremely high energy particles are accelerated, transported, and lost in the magnetosphere due to interplanetary shock wave interactions, coronal mass ejection impacts, and high-speed solar wind streams. The new data have shown especially how dayside processes play a key role in electron acceleration and loss processes.

  19. Martin Van Buren's "Return to the Soil." Teaching with Historic Places.

    ERIC Educational Resources Information Center

    National Register of Historic Places, Washington, DC. Interagency Resources Div.

    Using primary documents, maps, and visual data, this lesson packet focuses on Martin Van Buren and his retirement home, Lindenwald, which is on the National Register of Historic Places. The lesson materials compliment classroom study of early 19th century politics by tracing the life of Martin Van Buren and his role in the Jacksonian Era. Included…

  20. Relationship of the Van Herick Grading System with Peripheral Iris Configuration and Level of Iris Insertion.

    PubMed

    Khan, Faisal Aziz; Niazi, Shafaq Pervez Khan; Khan, Assad Zaman

    2017-09-01

    To determine the relationship of the van Herick angle grading system with the level of iris insertion and peripheral iris configuration. Observational study. Eye department, Combined Military Hospital, Malir Cantt., Karachi, from May to October 2015. Sixty-five eyes of 65 patients were recruited. Anterior chamber depth at the temporal limbus was measured as a fraction of corneal section thickness using van Herick technique and graded on the standard 4-point scale of the van Herick grading system. Gonioscopy of the temporal quadrant was performed with a Posner 4 mirror goniolens and both the true level of iris insertion and peripheral iris configuration were recorded on a 4-point scale so as to equate with the van Herick 4-point grading system. Spearman's rho test was applied to determine the relationship of the van Herick grading system with level of iris root insertion and peripheral iris configuration. Amoderate positive correlation between van Herick grade and peripheral iris configuration was found which was statistically significant (rs=0.42, p < 0.001). Astatistically significant and moderate positive correlation was also detected between van Herick grade and the level of iris insertion (rs=0.45, p < 0.001). The van Herick grade has a moderately positive relationship with the peripheral iris configuration and true level of iris insertion.

  1. Out-of-plane heat transfer in van der Waals stacks through electron-hyperbolic phonon coupling

    NASA Astrophysics Data System (ADS)

    Tielrooij, Klaas-Jan; Hesp, Niels C. H.; Principi, Alessandro; Lundeberg, Mark B.; Pogna, Eva A. A.; Banszerus, Luca; Mics, Zoltán; Massicotte, Mathieu; Schmidt, Peter; Davydovskaya, Diana; Purdie, David G.; Goykhman, Ilya; Soavi, Giancarlo; Lombardo, Antonio; Watanabe, Kenji; Taniguchi, Takashi; Bonn, Mischa; Turchinovich, Dmitry; Stampfer, Christoph; Ferrari, Andrea C.; Cerullo, Giulio; Polini, Marco; Koppens, Frank H. L.

    2018-01-01

    Van der Waals heterostructures have emerged as promising building blocks that offer access to new physics, novel device functionalities and superior electrical and optoelectronic properties1-7. Applications such as thermal management, photodetection, light emission, data communication, high-speed electronics and light harvesting8-16 require a thorough understanding of (nanoscale) heat flow. Here, using time-resolved photocurrent measurements, we identify an efficient out-of-plane energy transfer channel, where charge carriers in graphene couple to hyperbolic phonon polaritons17-19 in the encapsulating layered material. This hyperbolic cooling is particularly efficient, giving picosecond cooling times for hexagonal BN, where the high-momentum hyperbolic phonon polaritons enable efficient near-field energy transfer. We study this heat transfer mechanism using distinct control knobs to vary carrier density and lattice temperature, and find excellent agreement with theory without any adjustable parameters. These insights may lead to the ability to control heat flow in van der Waals heterostructures.

  2. NOAA's Van-Based Mobile Atmospheric Emissions Measurement Laboratory

    NASA Astrophysics Data System (ADS)

    Dube, W. P.; Peischl, J.; Neuman, J. A.; Eilerman, S. J.; Holloway, M.; Roberts, O.; Aikin, K. C.; Ryerson, T. B.

    2015-12-01

    The Chemical Science Division (CSD) mobile atmospheric emissions measurement laboratory is the second and latest of two mobile measurement vans outfitted for atmospheric sampling by the NOAA Earth System Research Laboratory. In this presentation we will describe the modifications made to this vehicle to provide a versatile and relatively inexpensive instrument platform including: the 2 kW 120 volt instrument power system; battery back-up system; data acquisition system; real-time display; meteorological, directional, and position sensor package; and the typical atmospheric emissions instrument package. The van conversion uses commercially available, off-the-shelf components from the marine and RV industries, thus keeping the costs quite modest.

  3. Dynamical property analysis of fractionally damped van der pol oscillator and its application

    NASA Astrophysics Data System (ADS)

    Zhong, Qiuhui; Zhang, Chunrui

    2012-01-01

    In this paper, the fractionally damped van der pol equation was studied. Firstly, the fractionally damped van der pol equation was transformed into a set of integer order equations. Then the Lyapunov exponents diagram was given. Secondly, it was transformed into a set of fractional integral equations and solved by a predictor-corrector method. The time domain diagrams and phase trajectory were used to describe the dynamic behavior. Finally, the fractionally damped van der pol equation was used to detect a weak signal.

  4. Accounting for apparent deviations between calorimetric and van't Hoff enthalpies.

    PubMed

    Kantonen, Samuel A; Henriksen, Niel M; Gilson, Michael K

    2018-03-01

    In theory, binding enthalpies directly obtained from calorimetry (such as ITC) and the temperature dependence of the binding free energy (van't Hoff method) should agree. However, previous studies have often found them to be discrepant. Experimental binding enthalpies (both calorimetric and van't Hoff) are obtained for two host-guest pairs using ITC, and the discrepancy between the two enthalpies is examined. Modeling of artificial ITC data is also used to examine how different sources of error propagate to both types of binding enthalpies. For the host-guest pairs examined here, good agreement, to within about 0.4kcal/mol, is obtained between the two enthalpies. Additionally, using artificial data, we find that different sources of error propagate to either enthalpy uniquely, with concentration error and heat error propagating primarily to calorimetric and van't Hoff enthalpies, respectively. With modern calorimeters, good agreement between van't Hoff and calorimetric enthalpies should be achievable, barring issues due to non-ideality or unanticipated measurement pathologies. Indeed, disagreement between the two can serve as a flag for error-prone datasets. A review of the underlying theory supports the expectation that these two quantities should be in agreement. We address and arguably resolve long-standing questions regarding the relationship between calorimetric and van't Hoff enthalpies. In addition, we show that comparison of these two quantities can be used as an internal consistency check of a calorimetry study. Copyright © 2017 Elsevier B.V. All rights reserved.

  5. LEASAT-3 repair during the van Hoften and Fisher EVA

    NASA Image and Video Library

    1985-08-31

    51I-44-012 (1 Sept. 1985) --- Astronaut James D. van Hoften looks on as the Syncom IVC-3 satellite responds to his push against it moments earlier. Dr. van Hoften, mission specialist, is anchored to a foot restraint on the end of the remote manipulator system (RMS) arm of the Earth-orbiting space shuttle Discovery. The 51-I crew members showed this photograph at their Sept. 11 postflight press conference. Photo credit: NASA

  6. Analysis of crashes involving 15-passenger vans

    DOT National Transportation Integrated Search

    2004-05-01

    This study explores the relationship between vehicle occupancy and several other variables in the National Highway Traffic Safety Administration's (NHTSA's) Fatality Analysis Reporting System (FARS) database and a 15-passenger van's risk of rollover....

  7. A note on evaluating VAN earthquake predictions

    NASA Astrophysics Data System (ADS)

    Tselentis, G.-Akis; Melis, Nicos S.

    The evaluation of the success level of an earthquake prediction method should not be based on approaches that apply generalized strict statistical laws and avoid the specific nature of the earthquake phenomenon. Fault rupture processes cannot be compared to gambling processes. The outcome of the present note is that even an ideal earthquake prediction method is still shown to be a matter of a “chancy” association between precursors and earthquakes if we apply the same procedure proposed by Mulargia and Gasperini [1992] in evaluating VAN earthquake predictions. Each individual VAN prediction has to be evaluated separately, taking always into account the specific circumstances and information available. The success level of epicenter prediction should depend on the earthquake magnitude, and magnitude and time predictions may depend on earthquake clustering and the tectonic regime respectively.

  8. Graded Interface Models for more accurate Determination of van der Waals-London Dispersion Interactions across Grain Boundaries

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    van Benthem, Klaus; Tan, Guolong; French, Roger H

    2006-01-01

    Attractive van der Waals V London dispersion interactions between two half crystals arise from local physical property gradients within the interface layer separating the crystals. Hamaker coefficients and London dispersion energies were quantitatively determined for 5 and near- 13 grain boundaries in SrTiO3 by analysis of spatially resolved valence electron energy-loss spectroscopy (VEELS) data. From the experimental data, local complex dielectric functions were determined, from which optical properties can be locally analysed. Both local electronic structures and optical properties revealed gradients within the grain boundary cores of both investigated interfaces. The obtained results show that even in the presence ofmore » atomically structured grain boundary cores with widths of less than 1 nm, optical properties have to be represented with gradual changes across the grain boundary structures to quantitatively reproduce accurate van der Waals V London dispersion interactions. London dispersion energies of the order of 10% of the apparent interface energies of SrTiO3 were observed, demonstrating their significance in the grain boundary formation process. The application of different models to represent optical property gradients shows that long-range van der Waals V London dispersion interactions scale significantly with local, i.e atomic length scale property variations.« less

  9. Nonequilibrium Statistical Operator Method and Generalized Kinetic Equations

    NASA Astrophysics Data System (ADS)

    Kuzemsky, A. L.

    2018-01-01

    We consider some principal problems of nonequilibrium statistical thermodynamics in the framework of the Zubarev nonequilibrium statistical operator approach. We present a brief comparative analysis of some approaches to describing irreversible processes based on the concept of nonequilibrium Gibbs ensembles and their applicability to describing nonequilibrium processes. We discuss the derivation of generalized kinetic equations for a system in a heat bath. We obtain and analyze a damped Schrödinger-type equation for a dynamical system in a heat bath. We study the dynamical behavior of a particle in a medium taking the dissipation effects into account. We consider the scattering problem for neutrons in a nonequilibrium medium and derive a generalized Van Hove formula. We show that the nonequilibrium statistical operator method is an effective, convenient tool for describing irreversible processes in condensed matter.

  10. A high-efficiency spin polarizer based on edge and surface disordered silicene nanoribbons

    NASA Astrophysics Data System (ADS)

    Xu, Ning; Zhang, Haiyang; Wu, Xiuqiang; Chen, Qiao; Ding, Jianwen

    2018-07-01

    Using the tight-binding formalism, we explore the effect of weak disorder upon the conductance of zigzag edge silicene nanoribbons (SiNRs), in the limit of phase-coherent transport. We find that the fashion of the conductance varies with disorder, and depends strongly on the type of disorder. Conductance dips are observed at the Van Hove singularities, owing to quasilocalized states existing in surface disordered SiNRs. A conductance gap is observed around the Fermi energy for both edge and surface disordered SiNRs, because edge states are localized. The average conductance of the disordered SiNRs decreases exponentially with the increase of disorder, and finally tends to disappear. The near-perfect spin polarization can be realized in SiNRs with a weak edge or surface disorder, and also can be attained by both the local electric field and the exchange field.

  11. Photoemission and muon spin relaxation spectroscopy of the iron-based Rb0.77Fe1.61Se2 superconductor: Crucial role of the cigar-shaped Fermi surface

    NASA Astrophysics Data System (ADS)

    Maletz, J.; Zabolotnyy, V. B.; Evtushinsky, D. V.; Yaresko, A. N.; Kordyuk, A. A.; Shermadini, Z.; Luetkens, H.; Sedlak, K.; Khasanov, R.; Amato, A.; Krzton-Maziopa, A.; Conder, K.; Pomjakushina, E.; Klauss, H.-H.; Rienks, E. D. L.; Büchner, B.; Borisenko, S. V.

    2013-10-01

    In this study, we investigate the electronic and magnetic properties of Rb0.77Fe1.61Se2 (Tc = 32.6 K) in normal and superconducting states by means of photoemission and μSR spectroscopies as well as band-structure calculations. We demonstrate that the unusual behavior of these materials is the result of separation into metallic (˜12%) and insulating (˜88%) phases. Only the former becomes superconducting and has a usual electronic structure of electron-doped FeSe slabs. Our results thus imply that the antiferromagnetic insulating phase is just a by-product of Rb intercalation and its magnetic properties have no direct relation to the superconductivity. Instead, we find that also in this class of iron-based compounds, the key ingredient for superconductivity is a certain proximity of a Van Hove singularity to the Fermi level.

  12. Coupled study by TEM/EELS and STM/STS of electronic properties of C- and CN-nanotubes

    NASA Astrophysics Data System (ADS)

    Lin, Hong; Lagoute, Jérôme; Repain, Vincent; Chacon, Cyril; Girard, Yann; Lauret, Jean-Sébastien; Arenal, Raul; Ducastelle, François; Rousset, Sylvie; Loiseau, Annick

    2011-12-01

    Carbon nanotubes are the focus of considerable research efforts due to their fascinating physical properties. They provide an excellent model system for the study of one-dimensional materials and molecular electronics. The chirality of nanotubes can lead to very different electronic behaviour, either metallic or semiconducting. Their electronic spectrum consists of a series of Van Hove singularities defining a bandgap for semiconducting tubes and molecular orbitals at the corresponding energies. A promising way to tune the nanotubes electronic properties for future applications is to use doping by heteroatoms. Here we report on the experimental investigation of the role of many-body interactions in nanotube bandgaps, the visualization in direct space of the molecular orbitals of nanotubes and the properties of nitrogen doped nanotubes using scanning tunneling microscopy and transmission electron microscopy as well as electron energy loss spectroscopy.

  13. Van Vleck and the magnetic susceptibilities of gaseous molecules

    NASA Astrophysics Data System (ADS)

    Meyer, Horst

    2011-03-01

    In his 1927 Physical Review article and in his 1932 book, ~The Theory of Electric and Magnetic Susceptibilities,~Van Vleck used the new quantum theory to derive the magnetic susceptibilities of O2 and NO in their gaseous form ~and compared them with experiments. ~He was therefore very interested in low temperature susceptibility experiments on O2 at Oxford University in 1954 where individual O2 molecules were trapped in small, almost spherical cages in organic clathrates. Correspondence between him and this speaker, then at Oxford, led to further measurements of O2 and also of NO in such clathrates, to theory and to subsequent publications and correspondence. Later communication with Van Vleck on the magnetism in rare earth iron garnets, a subject of long-term interest to him, will be described ~in connection with experiments carried out at Duke University. Some fond personal ~recollections of this speaker of his interaction with Van Vleck - both while at Harvard, during visits and through correspondence which extended into the seventies - will be presented.

  14. Early Childhood Matters: The Bulletin of the Bernard van Leer Foundation, 1999.

    ERIC Educational Resources Information Center

    Smale, Jim, Ed.

    1999-01-01

    This document consists of the three 1999 issues of The Bernard van Leer Foundation's "Early Childhood Matters." This periodical, addressed to practitioners in the field of early childhood education, evolved from an in-house publication directed to projects funded by the Bernard van Leer Foundation. Articles in the February 1999 edition…

  15. Early Childhood Matters: The Bulletin of the Bernard van Leer Foundation, 1998.

    ERIC Educational Resources Information Center

    Smale, Jim, Ed.

    1998-01-01

    This document consists of the three 1998 issues of The Bernard van Leer Foundations'"Early Childhood Matters." This periodical, addressed to practitioners in the field of early childhood development, evolved from an in-house publication directed to projects funded by the Bernard van Leer Foundation. Articles in the February 1998 edition…

  16. Early Childhood Matters: The Bulletin of the Bernard van Leer Foundation, 2000.

    ERIC Educational Resources Information Center

    Smale, Jim, Ed.

    2000-01-01

    This document consists of the three 2000 issues of The Bernard van Leer Foundation's "Early Childhood Matters." This periodical, addressed to practitioners in the field of early childhood education, evolved from an in-house publication directed to projects funded by the Bernard van Leer Foundation. Articles in the February 2000 edition…

  17. 77 FR 44683 - Phillips-Van Heusen Corporation, IZOD Dress Furnishings Division, New York, NY; Notice of...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-07-30

    ... for Reconsideration for the workers and former workers of Phillips-Van Heusen Corporation, IZOD Women... Phillips-Van Heusen Corporation, IZOD Women's Wholesale Division, New York, New York has not increased. In... Phillips-Van Heusen Corporation, IZOD Women's Wholesale Division, New York, New York) was incorrect, that...

  18. Phenotypic and genotypic characterization of vancomycin-resistant Enterococcus faecium clinical isolates from two hospitals in Mexico: First detection of VanB phenotype-vanA genotype.

    PubMed

    Bocanegra-Ibarias, Paola; Flores-Treviño, Samantha; Camacho-Ortiz, Adrián; Morfin-Otero, Rayo; Villarreal-Treviño, Licet; Llaca-Díaz, Jorge; Martínez-Landeros, Erik Alan; Rodríguez-Noriega, Eduardo; Calzada-Güereca, Andrés; Maldonado-Garza, Héctor Jesús; Garza-González, Elvira

    2016-01-01

    Enterococcus faecium has emerged as a multidrug-resistant nosocomial pathogen involved in outbreaks worldwide. Our aim was to determine the antimicrobial susceptibility, biofilm production, and clonal relatedness of vancomycin-resistant E. faecium (VREF) clinical isolates from two hospitals in Mexico. Consecutive clinical isolates (n=56) were collected in two tertiary care hospitals in Mexico from 2011 to 2014. VREF isolates were characterized by phenotypic and molecular methods including pulsed-field gel electrophoresis (PFGE). VREF isolates were highly resistant to vancomycin, erythromycin, norfloxacin, high-level streptomycin, and teicoplanin, and showed lower resistance to tetracycline, nitrofurantoin and quinupristin-dalfopristin. None of the isolates were resistant to linezolid. The vanA gene was detected in all isolates. Two VanB phenotype-vanA genotype isolates, highly resistant to vancomycin and susceptible to teicoplanin, were detected. Furthermore, 17.9% of the isolates were classified as biofilm producers, and the espfm gene was found in 98.2% of the isolates. A total of 37 distinct PFGE patterns and 6 clones (25% of the isolates as clone A, 5.4% as clone B, and 3.6% each as clone C, D, E, and F) were detected. Clone A was detected in 5 different wards of the same hospital during 14 months of surveillance. The high resistance to most antimicrobial agents and the moderate cross-transmission of VREF detected accentuates the need for continuous surveillance of E. faecium in the hospital setting. This is also the first reported incidence of the E. faecium VanB phenotype-vanA genotype in the Americas. Copyright © 2015 Elsevier España, S.L.U. and Sociedad Española de Enfermedades Infecciosas y Microbiología Clínica. All rights reserved.

  19. LiquidLib: A comprehensive toolbox for analyzing classical and ab initio molecular dynamics simulations of liquids and liquid-like matter with applications to neutron scattering experiments

    NASA Astrophysics Data System (ADS)

    Walter, Nathan P.; Jaiswal, Abhishek; Cai, Zhikun; Zhang, Yang

    2018-07-01

    Neutron scattering is a powerful experimental technique for characterizing the structure and dynamics of materials on the atomic or molecular scale. However, the interpretation of experimental data from neutron scattering is oftentimes not trivial, partly because scattering methods probe ensemble-averaged information in the reciprocal space. Therefore, computer simulations, such as classical and ab initio molecular dynamics, are frequently used to unravel the time-dependent atomistic configurations that can reproduce the scattering patterns and thus assist in the understanding of the microscopic origin of certain properties of materials. LiquidLib is a post-processing package for analyzing the trajectory of atomistic simulations of liquids and liquid-like matter with application to neutron scattering experiments. From an atomistic simulation, LiquidLib provides the computation of various statistical quantities including the pair distribution function, the weighted and unweighted structure factors, the mean squared displacement, the non-Gaussian parameter, the four-point correlation function, the velocity auto correlation function, the self and collective van Hove correlation functions, the self and collective intermediate scattering functions, and the bond orientational order parameter. LiquidLib analyzes atomistic trajectories generated from packages such as LAMMPS, GROMACS, and VASP. It also offers an extendable platform to conveniently integrate new quantities into the library and integrate simulation trajectories of other file formats for analysis. Weighting the quantities by element-specific neutron-scattering lengths provides results directly comparable to neutron scattering measurements. Lastly, LiquidLib is independent of dimensionality, which allows analysis of trajectories in two, three, and higher dimensions. The code is beginning to find worldwide use.

  20. Bernard van Leer Foundation Newsletter, 1996.

    ERIC Educational Resources Information Center

    Bernard van Leer Foundation, Newsletter, 1996

    1996-01-01

    This document consists of the four issues of the Bernard van Leer Foundation's "Newsletter" published during 1996. The newsletter covers topics related to, or about efforts to foster, the education and welfare of children around the world, and includes descriptions of programs around the world, lists of resources and publications, and…

  1. Quantum Monte Carlo calculations of van der Waals interactions between aromatic benzene rings

    NASA Astrophysics Data System (ADS)

    Azadi, Sam; Kühne, T. D.

    2018-05-01

    The magnitude of finite-size effects and Coulomb interactions in quantum Monte Carlo simulations of van der Waals interactions between weakly bonded benzene molecules are investigated. To that extent, two trial wave functions of the Slater-Jastrow and Backflow-Slater-Jastrow types are employed to calculate the energy-volume equation of state. We assess the impact of the backflow coordinate transformation on the nonlocal correlation energy. We found that the effect of finite-size errors in quantum Monte Carlo calculations on energy differences is particularly large and may even be more important than the employed trial wave function. In addition to the cohesive energy, the singlet excitonic energy gap and the energy gap renormalization of crystalline benzene at different densities are computed.

  2. Transcriptional Analysis of the vanC Cluster from Enterococcus gallinarum Strains with Constitutive and Inducible Vancomycin Resistance

    PubMed Central

    Panesso, Diana; Abadía-Patiño, Lorena; Vanegas, Natasha; Reynolds, Peter E.; Courvalin, Patrice; Arias, Cesar A.

    2005-01-01

    The vanC glycopeptide resistance gene cluster encodes enzymes required for synthesis of peptidoglycan precursors ending in d-Ala-d-Ser. Enterococcus gallinarum BM4174 and SC1 are constitutively and inducibly resistant to vancomycin, respectively. Analysis of peptidoglycan precursors in both strains indicated that UDP-MurNAc-tetrapeptide and UDP-MurNAc-pentapeptide[d-Ser] were synthesized in E. gallinarum SC1 only in the presence of vancomycin (4 μg/ml), whereas the “resistance” precursors accumulated in the cytoplasm of BM4174 cells under both inducing and noninducing conditions. Northern hybridization and reverse transcription-PCR experiments revealed that all the genes from the cluster, vanC-1, vanXYC, vanT, vanRC, and vanSC, were transcribed from a single promoter. In the inducible SC1 isolate, transcriptional regulation appeared to be responsible for inducible expression of resistance. Promoter mapping in E. gallinarum BM4174 revealed that the transcriptional start site was located 30 nucleotides upstream from vanC-1 and that the −10 promoter consensus sequence had high identity with that of the vanA cluster. Comparison of the deduced sequence of the vanSC genes from isolates with constitutive and inducible resistance revealed several amino acid substitutions located in the X box (R200L) and in the region between the F and G2 boxes (D312N, D312A, and G320S) of the putative sensor kinase proteins from isolates with constitutive resistance. PMID:15728903

  3. Baseline tests of the Volkswagen transporter electric delivery van

    NASA Technical Reports Server (NTRS)

    Soltis, R. F.; Mcbrien, E. F.; Bozek, J. M.; Gourash, F.

    1978-01-01

    The Volkswagen Transporter, an electric delivery van, was tested as part of an Energy Research and Development Administration (ERDA) project to characterize the state of the art of electric vehicles. The Volkswagen Transporter is a standard Volkswagen van that has been converted to an electric vehicle. It is powered by a 144-volt traction battery. A direct current (dc) chopper controller, actuated by a conventional accelerator pedal, regulates the voltage or power applied to the 16-kilowatt (21-hp) motor. The braking system uses conventional hydraulic braking in combination with an electric regenerative braking system. The Volkswagen vehicle performance test results are presented.

  4. Genomic deletion of a long-range bone enhancer misregulatessclerostin in Van Buchem disease

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Loots, Gabriela G.; Kneissel, Michaela; Keller, Hansjoerg

    2005-04-15

    Mutations in distant regulatory elements can negatively impact human development and health, yet due to the difficulty of detecting these critical sequences we predominantly focus on coding sequences for diagnostic purposes. We have undertaken a comparative sequence-based approach to characterize a large noncoding region deleted in patients affected by Van Buchem disease (VB), a severe sclerosing bone dysplasia. Using BAC recombination and transgenesis we characterized the expression of human sclerostin (sost) from normal (hSOSTwt) or Van Buchem(hSOSTvb D) alleles. Only the hSOSTwt allele faithfully expressed high levels of human sost in the adult bone and impacted bone metabolism, consistent withmore » the model that the VB noncoding deletion removes a sost specific regulatory element. By exploiting cross-species sequence comparisons with in vitro and in vivo enhancer assays we were able to identify a candidate enhancer element that drives human sost expression in osteoblast-like cell lines in vitro and in the skeletal anlage of the E14.5 mouse embryo, and discovered a novel function for sclerostin during limb development. Our approach represents a framework for characterizing distant regulatory elements associated with abnormal human phenotypes.« less

  5. Van der Waals heterojunction diode composed of WS2 flake placed on p-type Si substrate

    NASA Astrophysics Data System (ADS)

    Aftab, Sikandar; Farooq Khan, M.; Min, Kyung-Ah; Nazir, Ghazanfar; Afzal, Amir Muhammad; Dastgeer, Ghulam; Akhtar, Imtisal; Seo, Yongho; Hong, Suklyun; Eom, Jonghwa

    2018-01-01

    P-N junctions represent the fundamental building blocks of most semiconductors for optoelectronic functions. This work demonstrates a technique for forming a WS2/Si van der Waals junction based on mechanical exfoliation. Multilayered WS2 nanoflakes were exfoliated on the surface of bulk p-type Si substrates using a polydimethylsiloxane stamp. We found that the fabricated WS2/Si p-n junctions exhibited rectifying characteristics. We studied the effect of annealing processes on the performance of the WS2/Si van der Waals p-n junction and demonstrated that annealing improved its electrical characteristics. However, devices with vacuum annealing have an enhanced forward-bias current compared to those annealed in a gaseous environment. We also studied the top-gate-tunable rectification characteristics across the p-n junction interface in experiments as well as density functional theory calculations. Under various temperatures, Zener breakdown occurred at low reverse-bias voltages, and its breakdown voltage exhibited a negative coefficient of temperature. Another breakdown voltage was observed, which increased with temperature, suggesting a positive coefficient of temperature. Therefore, such a breakdown can be assigned to avalanche breakdown. This work demonstrates a promising application of two-dimensional materials placed directly on conventional bulk Si substrates.

  6. Onderzoek Naar de Bepaling van Wrijvingscoefficienten van een Voertuig uit Uitrolcurves (Research into the Determination of Friction Coefficients of a Vehicle from Deceleration Curves)

    DTIC Science & Technology

    1991-08-01

    en Aemne Vrwaarden Wo OndOrzoeks 8 FE 1 1 opdrchl aT00’ dn wet do bereflende F B 0 1 9 terzake tussen partilon geslOlen dw:Agsu overOerikomStf...Ongemlbric~~d 9 -028 14 :259 wwWmtmd.fl 59w IEEIIIIiiiarabIg𔃽 1 c~ Vrederikkazerle, Geb. InO 03 3.. ~ van den Burchlaal 312 03 173Telefoofl 070-3166394...1ILEIDING 6 2 HET FYSISCHE MODEL 8 3 ONDERZOEK AAN DE DIFFERENTIAALVERGELIJKING 11 3.1 Existentie en uniciteit van ccii oplossing 11 3.2 Continulleit en

  7. Atomic layer MoS2-graphene van der Waals heterostructure nanomechanical resonators.

    PubMed

    Ye, Fan; Lee, Jaesung; Feng, Philip X-L

    2017-11-30

    Heterostructures play significant roles in modern semiconductor devices and micro/nanosystems in a plethora of applications in electronics, optoelectronics, and transducers. While state-of-the-art heterostructures often involve stacks of crystalline epi-layers each down to a few nanometers thick, the intriguing limit would be hetero-atomic-layer structures. Here we report the first experimental demonstration of freestanding van der Waals heterostructures and their functional nanomechanical devices. By stacking single-layer (1L) MoS 2 on top of suspended single-, bi-, tri- and four-layer (1L to 4L) graphene sheets, we realize an array of MoS 2 -graphene heterostructures with varying thickness and size. These heterostructures all exhibit robust nanomechanical resonances in the very high frequency (VHF) band (up to ∼100 MHz). We observe that fundamental-mode resonance frequencies of the heterostructure devices fall between the values of graphene and MoS 2 devices. Quality (Q) factors of heterostructure resonators are lower than those of graphene but comparable to those of MoS 2 devices, suggesting interface damping related to interlayer interactions in the van der Waals heterostructures. This study validates suspended atomic layer heterostructures as an effective device platform and provides opportunities for exploiting mechanically coupled effects and interlayer interactions in such devices.

  8. Thermal electron attachment to van der Waals molecules containing O/sub 2/

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Huo, W.M.; Fessenden, R.W.; Bauschlicher C.W. Jr.

    1984-12-15

    Calculations on O/sub 2/xN/sub 2/ and O/sup -//sub 2/xN/sub 2/ have been carried out to explain the large enhancement in the attachment rate of thermal electrons found in van der Waals molecules containing O/sub 2/. Two geometries, T-shape and linear, are used. SCF wave functions are used to represent both the neutral molecule and the ion. The incoming electron is approximated by a plane wave. The width is determined using a shielded polarization potential. The effect of additional vibrational structures of the van der Waals molecule on the attachment process is investigated by studying the O/sub 2/--N/sub 2/ stretching modemore » using Lennard-Jones potentials. Symmetry breaking, which allows the molecule to attach a p wave electron, is shown to play a primary role. The lowering of resonance energy, due to a deeper Lennard-Jones potential of O/sup -//sub 2/xN/sub 2/ in comparison with O/sub 2/xN/sub 2/, furthers the enhancement. The calculated attachment rate is comparable to that determined by Shimamori and Fessenden, but differs from the recent values obtained by Toriumi and Hatano, who used a different set of reactions to interpret their data.« less

  9. Observing Imperfection in Atomic Interfaces for van der Waals Heterostructures.

    PubMed

    Rooney, Aidan P; Kozikov, Aleksey; Rudenko, Alexander N; Prestat, Eric; Hamer, Matthew J; Withers, Freddie; Cao, Yang; Novoselov, Kostya S; Katsnelson, Mikhail I; Gorbachev, Roman; Haigh, Sarah J

    2017-09-13

    Vertically stacked van der Waals heterostructures are a lucrative platform for exploring the rich electronic and optoelectronic phenomena in two-dimensional materials. Their performance will be strongly affected by impurities and defects at the interfaces. Here we present the first systematic study of interfaces in van der Waals heterostructure using cross-sectional scanning transmission electron microscope (STEM) imaging. By measuring interlayer separations and comparing these to density functional theory (DFT) calculations we find that pristine interfaces exist between hBN and MoS 2 or WS 2 for stacks prepared by mechanical exfoliation in air. However, for two technologically important transition metal dichalcogenide (TMDC) systems, MoSe 2 and WSe 2 , our measurement of interlayer separations provide the first evidence for impurity species being trapped at buried interfaces with hBN interfaces that are flat at the nanometer length scale. While decreasing the thickness of encapsulated WSe 2 from bulk to monolayer we see a systematic increase in the interlayer separation. We attribute these differences to the thinnest TMDC flakes being flexible and hence able to deform mechanically around a sparse population of protruding interfacial impurities. We show that the air sensitive two-dimensional (2D) crystal NbSe 2 can be fabricated into heterostructures with pristine interfaces by processing in an inert-gas environment. Finally we find that adopting glovebox transfer significantly improves the quality of interfaces for WSe 2 compared to processing in air.

  10. The van Gogh of the Infrared Sky

    NASA Image and Video Library

    2011-04-25

    NASA Wide-field Infrared Survey Explorer is a little like the Vincent van Gogh of the infrared sky, providing the world with picturesque images of the cosmos by representing infrared light through color. This image is the nebula NGC 2174.

  11. Eisen voor Buitenbeelden van Voertuigsimulatoren: Een Literatuurstudie (Use of Exterior Pictures in Vehicle Simulators: A Literature Survey)

    DTIC Science & Technology

    1991-06-01

    1.3 Opleiding en onderzoek met voertuigsimulatoren 9 1.4 Opbouw van simulatoren 11 1.5 Totstandkomning van beelden in CGI-systemen 13 1.6 Bepalen van...pictures in vehicle simulators. A literature survey s 029 9 20 Aantal bladzijden: 102 .JISTRIBIYI±WN- STATEMEN9 -2 39 Approved for public release; 2 28 9 ...Achteruitkijkspiegels en verrekijkers 79 8.2 Helderheidsversterkers en warmtebeelden 80 8.3 Middelen om afstand te bepalen 80 9 INTERACTIES VAN HET

  12. Van, Turkey Earthquake of 23 October 2011, Mw 7.2; An Overview on Disaster Management

    PubMed Central

    ZARÉ, Mehdi; NAZMAZAR, Behnaz

    2013-01-01

    An earthquake was happened on 23 October 2011 in Van, Turkey (Mw7.2) at the eastern most area of Anatolian plateau and in the neighborhood of Iranian border (West Azerbaijan Province). The study was performed based on field and office observations and has been focused on the process of disaster management in Turkey after the 23 October 2011 earthquake. We surveyed the quake from the view point of disaster management, and study the relief process during and after the catastrophe. The day-to-day disaster management procedure in seventeen days after the event has been scrutinized as well. The number of victims and extent of damage in Van earthquake was relatively limited according to the national experiences and recent modernization of infrastructures in Turkey. The Van earthquake caused 644 deaths and demolishing of several buildings in the cities of Van and Erciş in Van Province. The performance of the government organizations is however criticized based on their response to the event. PMID:23515082

  13. Resonance oscillations of nonreciprocal long-range van der Waals forces between atoms in electromagnetic fields

    NASA Astrophysics Data System (ADS)

    Sherkunov, Yury

    2018-03-01

    We study theoretically the van der Waals interaction between two atoms out of equilibrium with an isotropic electromagnetic field. We demonstrate that at large interatomic separations, the van der Waals forces are resonant, spatially oscillating, and nonreciprocal due to resonance absorption and emission of virtual photons. We suggest that the van der Waals forces can be controlled and manipulated by tuning the spectrum of artificially created random light.

  14. Q & A with Carmella Van Vleet

    ERIC Educational Resources Information Center

    Curriculum Review, 2008

    2008-01-01

    This article presents an interview with Carmella Van Vleet, a former teacher and educational speaker. She has written family humor and parenting articles, and is also the author of "How to Handle School Snafus," "Great Ancient Egypt Projects You Can Build Yourself" and "Amazing Ben Franklin Inventions You Can Build Yourself." In this interview,…

  15. Investigating the Effect of van Hiele Phase-Based Instruction on Pre-Service Teachers' Geometric Thinking

    ERIC Educational Resources Information Center

    Armah, Robert Benjamin; Cofie, Primrose Otokonor; Okpoti, Christopher Adjei

    2018-01-01

    This study investigated the effect of van Hiele Phase-based Instruction (VHPI) on Ghanaian Pre-service Teachers' (PTs') geometric thinking in terms of the van Hiele Levels. A pre-test post-test quasi-experimental design was employed. There were 75 PTs each in the experimental group and the control group. Van Hiele Geometry Test (VHGT) was…

  16. Concurrent Van der Woude syndrome and Turner syndrome: A case report.

    PubMed

    Los, Evan; Baines, Hayley; Guttmann-Bauman, Ines

    2017-01-01

    Most cases of Van der Woude syndrome are caused by a mutation to interferon regulatory factor 6 on chromosome 1. Turner syndrome is caused by complete or partial absence of the second sex chromosome in girls. We describe a unique case of the two syndromes occurring concurrently though apparently independently in a girl with Van der Woude syndrome diagnosed at birth and Turner syndrome at 14 years 9 months. Short stature was initially misattributed to Van der Woude syndrome and pituitary insufficiency associated with clefts before correctly diagnosing Turner syndrome. We discuss the prevalence of delayed diagnosis of Turner syndrome, the rarity of reports of concurrent autosomal chromosome mutation and sex chromosome deletion, as well as the need to consider the diagnosis of Turner syndrome in all girls with short stature regardless of prior medical history.

  17. Statistical substantiation of the van der Waals theory of inhomogeneous fluids

    NASA Astrophysics Data System (ADS)

    Baidakov, V. G.; Protsenko, S. P.; Chernykh, G. G.; Boltachev, G. Sh.

    2002-04-01

    Computer experiments on simulation of thermodynamic properties and structural characteristics of a Lennard-Jones fluid in one- and two-phase models have been performed for the purpose of checking the base concepts of the van der Waals theory. Calculations have been performed by the method of molecular dynamics at cutoff radii of the intermolecular potential rc,1=2.6σ and rc,2=6.78σ. The phase equilibrium parameters, surface tension, and density distribution have been determined in a two-phase model with a flat liquid-vapor interface. The strong dependence of these properties on the value of rc is shown. The p,ρ,T properties and correlation functions have been calculated in a homogeneous model for a stable and a metastable fluid. An equation of state for a Lennard-Jones fluid describing stable, metastable, and labile regions has been built. It is shown that at T>=1.1 the properties of a flat interface within the computer experimental error can be described by the van der Waals square-gradient theory with an influence parameter κ independent of the density. Taking into account the density dependence of κ through the second moment of the direct correlation function will deteriorate the agreement of the theory with data of computer simulation. The contribution of terms of a higher order than (∇ρ)2 to the Helmholtz free energy of an inhomogeneous system has been considered. It is shown that taking into account terms proportional to (∇ρ)4 leaves no way of obtaining agreement between the theory and simulation data, while taking into consideration of terms proportional to (∇ρ)6 makes it possible to describe with adequate accuracy all the properties of a flat interface in the temperature range from the triple to the critical point.

  18. Geologic environment of the Van Norman Reservoirs area

    USGS Publications Warehouse

    Yerkes, R.F.; Bonilla, M.G.; Youd, T.L.; Sims, J.D.

    1974-01-01

    The upper and lower Van Norman dams, in northwesternmost San Fernando Valley about 20 mi (32 km) northwest of downtown Los Angeles, were severely damaged during the 1971 San Fernando earthquake. An investigation of the geologic-seismologic setting of the Van Norman area indicates that an earthquake of at least M 7.7 may be expected in the Van Norman area. The expectable transitory effects in the Van Norman area of such an earthquake are as follows: peak horizontal acceleration of at least 1.15 g, peak velocity of displacement of 4.43 ft/sec (135 cm/sec), peak displacement of 2.3 ft (70 cm), and duration of shaking at accelerations greater than 0.05 g, 40 sec. A great earthquake (M 8+) on the San Andreas fault, 25 mi distant, also is expectable. Transitory effects in the Van Norman area from such an earthquake are estimated as follows: peak horizontal acceleration of 0.5 g, peak velocity of 1.97 ft/sec (60 cm/sec), displacement of 1.31 ft (40 cm), and duration of shaking at accelerations greater than 0.05 g, 80 sec. The permanent effects of the expectable local earthquake could include simultaneous fault movement at the lower damsite, the upper damsite, and the site proposed for a replacement dam halfway between the upper and lower dams. The maximum differential displacements due to such movements are estimated at 16.4 ft (5 m) at the lower damsite and about 9.6 ft (2.93 m) at the upper and proposed damsites. The 1971 San Fernando earthquake (M 6?) was accompanied by the most intense ground motions ever recorded instrumentally for a natural earthquake. At the lower Van Norman dam, horizontal accelerations exceeded 0.6 g, and shaking greater than 0.25 g lasted for about 13 see; at Pacoima dam, 6 mi (10 km) northeast of the lower dam, high-frequency peak horizontal accelerations of 1.25 g were recorded in two directions, and shaking greater than 0.25 g lasted for about 7 sec. Permanent effects of the earthquake include slope failures in the embankments of the upper

  19. Presence of the resistance genes vanC1 and pbp5 in phenotypically vancomycin and ampicillin susceptible Enterococcus faecalis.

    PubMed

    Schwaiger, Karin; Bauer, Johann; Hörmansdorfer, Stefan; Mölle, Gabriele; Preikschat, Petra; Kämpf, Peter; Bauer-Unkauf, Ilse; Bischoff, Meike; Hölzel, Christina

    2012-08-01

    Ampicillin and vancomycin are important antibiotics for the therapy of Enterococcus faecalis infections. The ampicillin resistance gene pbp5 is intrinsic in Enterococcus faecium. The vanC1 gene confers resistance to vancomycin and serves as a species marker for Enterococcus gallinarum. Both genes are chromosomally located. Resistance to ampicillin and vancomycin was determined in 484 E. faecalis of human and porcine origin by microdilution. Since E. faecalis are highly skilled to acquire resistance genes, all strains were investigated for the presence of pbp5 (and, in positive strains, for the penicillin-binding protein synthesis repressor gene psr) and vanC1 (and, in positive strains, for vanXYc and vanT) by using polymerase chain reaction (PCR). One porcine and one human isolate were phenotypically resistant to ampicillin; no strain was vancomycin resistant. Four E. faecalis (3/1 of porcine/human origin) carried pbp5 (MIC=1 mg/L), and four porcine strains were vanC1 positive (minimum inhibitory concentration [MIC]=1 mg/L). Real-time reverse transcriptase (RT)-PCR revealed that the genes were not expressed. The psr gene was absent in the four pbp5-positive strains; the vanXYc gene was absent in the four vanC1-positive strains. However, vanT of the vanC gene cluster was detected in two vanC1-positive strains. To our knowledge, this is the first report on the presence of pbp5, identical with the "E. faecium pbp5 gene," and of vanC1/vanT in E. faecalis. Even if resistance is not expressed in these strains, this study shows that E. faecalis have a strong ability to acquire resistance genes-and potentially to spread them to other bacteria. Therefore, close monitoring of this species should be continued.

  20. Simon van der Meer (1925-2011):. A Modest Genius of Accelerator Science

    NASA Astrophysics Data System (ADS)

    Chohan, Vinod C.

    2011-02-01

    Simon van der Meer was a brilliant scientist and a true giant of accelerator science. His seminal contributions to accelerator science have been essential to this day in our quest for satisfying the demands of modern particle physics. Whether we talk of long base-line neutrino physics or antiproton-proton physics at Fermilab or proton-proton physics at LHC, his techniques and inventions have been a vital part of the modern day successes. Simon van der Meer and Carlo Rubbia were the first CERN scientists to become Nobel laureates in Physics, in 1984. Van der Meer's lesserknown contributions spanned a whole range of subjects in accelerator science, from magnet design to power supply design, beam measurements, slow beam extraction, sophisticated programs and controls.

  1. The integrable case of Adler-van Moerbeke. Discriminant set and bifurcation diagram

    NASA Astrophysics Data System (ADS)

    Ryabov, Pavel E.; Oshemkov, Andrej A.; Sokolov, Sergei V.

    2016-09-01

    The Adler-van Moerbeke integrable case of the Euler equations on the Lie algebra so(4) is investigated. For the L- A pair found by Reyman and Semenov-Tian-Shansky for this system, we explicitly present a spectral curve and construct the corresponding discriminant set. The singularities of the Adler-van Moerbeke integrable case and its bifurcation diagram are discussed. We explicitly describe singular points of rank 0, determine their types, and show that the momentum mapping takes them to self-intersection points of the real part of the discriminant set. In particular, the described structure of singularities of the Adler-van Moerbeke integrable case shows that it is topologically different from the other known integrable cases on so(4).

  2. Identification of VanN-type vancomycin resistance in an Enterococcus faecium isolate from chicken meat in Japan.

    PubMed

    Nomura, Takahiro; Tanimoto, Koichi; Shibayama, Keigo; Arakawa, Yoshichika; Fujimoto, Shuhei; Ike, Yasuyoshi; Tomita, Haruyoshi

    2012-12-01

    Five VanN-type vancomycin-resistant Enterococcus faecium strains were isolated from a sample of domestic chicken meat in Japan. All isolates showed low-level resistance to vancomycin (MIC, 12 mg/liter) and had the same pulsed-field gel electrophoresis profile. The vancomycin resistance was encoded on a large plasmid (160 kbp) and was expressed constitutively. The VanN-type resistance operon was identical to the first resistance operon to be reported, with the exception of a 1-bp deletion in vanT(N) and a 1-bp substitution in vanS(N).

  3. Electronic dispersion from long-range atomic ordering and periodic potentials in two overlapping graphene sheets

    NASA Astrophysics Data System (ADS)

    Ohta, Taisuke; Robinson, Jeremy; Feibelman, Peter; Beechem, Thomas; Diaconescu, Bogdan; Bostwick, Aaron; Rotenberg, Eli; Kellogg, Gary

    2013-03-01

    A worldwide effort is underway to learn how to build devices that take advantage of the remarkable electronic properties of graphene and other two-dimensional crystals. An outstanding question is how stacking two or a few such crystals affects their joint electronic behavior. Our talk concerns ``twisted bilayer graphene (TBG),'' that is, two graphene layers azimuthally misoriented. Applying angle-resolved photoemission spectroscopy and density functional theory, we have found van Hove singularities (vHs) and associated mini-gaps in the TBG electronic spectrum, which represent unambiguous proof that the layers interact. Of particular interest is that the measured and calculated electronic dispersion manifests the periodicity of the moiré superlattice formed by the twist. Thus, there are vHs not just where the Dirac cones of the two layers overlap, but also at the boundaries of the moiré superlattice Brillouin zone. Moirés, ubiquitous in hybrid solids based on two-dimensional crystals, accordingly present themselves as tools for manipulating the electronic behavior. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. DOE's National Nuclear Security Administration under contract DE-AC04-94AL85000.

  4. Spatial interferences in the electron transport of heavy-fermion materials

    NASA Astrophysics Data System (ADS)

    Zhang, Shu-feng; Liu, Yu; Song, Hai-Feng; Yang, Yi-feng

    2016-08-01

    The scanning tunneling microscopy/spectroscopy and the point contact spectroscopy represent major progress in recent heavy-fermion research. Both have revealed important information on the composite nature of the emergent heavy-electron quasiparticles. However, a detailed and thorough microscopic understanding of the similarities and differences in the underlying physical processes of these techniques is still lacking. Here we study the electron transport in the normal state of the periodic Anderson lattice by using the Keldysh nonequilibrium Green's function technique. In addition to the well-known Fano interference between the conduction and f -electron channels, our results further reveal the effect of spatial interference between different spatial paths at the interface on the differential conductance and their interesting interplay with the band features such as the hybridization gap and the Van Hove singularity. We find that the spatial interference leads to a weighted average in the momentum space for the electron transport and could cause suppression of the electronic band features under certain circumstances. In particular, it reduces the capability of probing the f -electron spectral weight near the edges of the hybridization gap for large interface depending on the Fermi surface of the lead. Our results indicate an intrinsic inefficiency of the point contact spectroscopy in probing the f electrons.

  5. Mid infrared observations of Van Maanen 2: no substellar companion.

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Farihi, J; Becklin, E; Macintosh, B

    2004-11-03

    The results of a comprehensive infrared imaging search for the putative 0.06 M{sub {circle_dot}} astrometric companion to the 4.4 pc white dwarf van Mannen 2 are reported. Adaptive optics images acquired at 3.8 {micro}m reveal a diffraction limited core of 0.09 inch and no direct evidence of a secondary. Models predict that at 5 Gyr, a 50 M{sub J} brown dwarf would be only 1 magnitude fainter than van Maanen 2 at this wavelength and the astrometric analysis suggested a separation of 0.2 inch. In the case of a chance alignment along the line of sight, a 0.4 mag excessmore » should be measured. An independent photometric observation at the same wavelength reveals no excess. In addition, there exist published ISO observations of van Maanen 2 at 6.8 {micro}m and 15.0 {micro}m which are consistent with photospheric flux of a 6750 K white dwarf. If recent brown dwarf models are correct, there is no substellar companion with T{sub eff} {approx}> 500 K.« less

  6. Strain engineering of van der Waals heterostructures.

    PubMed

    Vermeulen, Paul A; Mulder, Jefta; Momand, Jamo; Kooi, Bart J

    2018-01-18

    Modifying the strain state of solids allows control over a plethora of functional properties. The weak interlayer bonding in van der Waals (vdWaals) materials such as graphene, hBN, MoS 2 , and Bi 2 Te 3 might seem to exclude strain engineering, since strain would immediately relax at the vdWaals interfaces. Here we present direct observations of the contrary by showing growth of vdWaals heterostructures with persistent in-plane strains up to 5% and we show that strain relaxation follows a not yet reported process distinctly different from strain relaxation in three-dimensionally bonded (3D) materials. For this, 2D bonded Bi 2 Te 3 -Sb 2 Te 3 and 2D/3D bonded Bi 2 Te 3 -GeTe multilayered films are grown using Pulsed Laser Deposition (PLD) and their structure is monitored in situ using Reflective High Energy Electron Diffraction (RHEED) and post situ analysis is performed using Transmission Electron Microscopy (TEM). Strain relaxation is modeled and found to solely depend on the layer being grown and its initial strain. This insight demonstrates that strain engineering of 2D bonded heterostructures obeys different rules than hold for epitaxial 3D materials and opens the door to precise tuning of the strain state of the individual layers to optimize functional performance of vdWaals heterostructures.

  7. The Forced van der Pol Equation

    ERIC Educational Resources Information Center

    Fay, Temple H.

    2009-01-01

    We report on a study of the forced van der Pol equation x + [epsilon](x[superscript 2] - 1)x + x = F cos[omega]t, by solving numerically the differential equation for a variety of values of the parameters [epsilon], F and [omega]. In doing so, many striking and interesting trajectories can be discovered and phenomena such as frequency entrainment,…

  8. Willem van de Wall: Organizer and Innovator in Music Education and Music Therapy.

    ERIC Educational Resources Information Center

    Clair, Alicia Ann; Heller, George N.

    1989-01-01

    Examines Willem van de Wall's historically significant contributions to seminal literature on music therapy and the influence of music on behavior. Reviews van de Wall's early writings, at his work on music for children, and on music in institutions. Cites his "Music in Hospitals" as the culmination of his work in music therapy, music…

  9. van der Waals Layered Materials: Opportunities and Challenges.

    PubMed

    Duong, Dinh Loc; Yun, Seok Joon; Lee, Young Hee

    2017-12-26

    Since graphene became available by a scotch tape technique, a vast class of two-dimensional (2D) van der Waals (vdW) layered materials has been researched intensively. What is more intriguing is that the well-known physics and chemistry of three-dimensional (3D) bulk materials are often irrelevant, revealing exotic phenomena in 2D vdW materials. By further constructing heterostructures of these materials in the planar and vertical directions, which can be easily achieved via simple exfoliation techniques, numerous quantum mechanical devices have been demonstrated for fundamental research and technological applications. It is, therefore, necessary to review the special features in 2D vdW materials and to discuss the remaining issues and challenges. Here, we review the vdW materials library, technology relevance, and specialties of vdW materials covering the vdW interaction, strong Coulomb interaction, layer dependence, dielectric screening engineering, work function modulation, phase engineering, heterostructures, stability, growth issues, and the remaining challenges.

  10. [Mobile hospital -real time mobile telehealthcare system with ultrasound and CT van using high-speed satellite communication-].

    PubMed

    Takizawa, Masaomi; Miyashita, Toyohisa; Murase, Sumio; Kanda, Hirohito; Karaki, Yoshiaki; Yagi, Kazuo; Ohue, Toru

    2003-01-01

    A real-time telescreening system is developed to detect early diseases for rural area residents using two types of mobile vans with a portable satellite station. The system consists of a satellite communication system with 1.5Mbps of the JCSAT-1B satellite, a spiral CT van, an ultrasound imaging van with two video conference system, a DICOM server and a multicast communication unit. The video image and examination image data are transmitted from the van to hospitals and the university simultaneously. Physician in the hospital observes and interprets exam images from the van and watches the video images of the position of ultrasound transducer on screenee in the van. After the observation images, physician explains a results of the examination by the video conference system. Seventy lung CT screening and 203 ultrasound screening were done from March to June 2002. The trial of this real time screening suggested that rural residents are given better healthcare without visit to the hospital. And it will open the gateway to reduce the medical cost and medical divide between city area and rural area.

  11. Design of a command, communications, and control van (surrogate)

    NASA Astrophysics Data System (ADS)

    Holder, J. Darryl; Fishback, Jerome

    1989-03-01

    This report describes the design, construction, and checkout of a radio and telephone multi-mode communications hub. This unit is to serve as a surrogate for a command, control, and communications van which is to be used in support of a special series of testing at a remote site. This unit is assembled in a military four-wheel van and has a crew of a commander and three operators. Radio communications monitoring can be performed in all popular modes of transmission from 50 KHz to 2 GHz and transmission can be performed on selected frequencies in the 40-meter, 6-meter, and 2-meter bands. Both voice and digital (teletype, packet, facsimile, etc.) communications are supported.

  12. The generalized van der Waals theory of pure fluids and mixtures: Annual report for September 1985 to November 1986

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Sandler, S.I.

    1986-01-01

    The objective of the work is to use the generalized van der Waals theory, as derived earlier (''The Generalized van der Waals Partition Function I. Basic Theory'' by S.I. Sandler, Fluid Phase Equilibria 19, 233 (1985)) to: (1) understand the molecular level assumptions inherent in current thermodynamic models; (2) use theory and computer simulation studies to test these assumptions; and (3) develop new, improved thermodynamic models based on better molecular level assumptions. From such a fundamental study, thermodynamic models will be developed that will be applicable to mixtures of molecules of widely different size and functionality, as occurs in themore » processing of heavy oils, coal liquids and other synthetic fuels. An important aspect of our work is to reduce our fundamental theoretical developments to engineering practice through extensive testing and evaluation with experimental data on real mixtures. During the first year of this project important progress was made in the areas specified in the original proposal, as well as several subsidiary areas identified as the work progressed. Some of this work has been written up and submitted for publication. Manuscripts acknowledging DOE support, together with a very brief description, are listed herein.« less

  13. Testing the dynamic rollover resistance of two 15-passenger vans with multiple load configurations

    DOT National Transportation Integrated Search

    2004-06-01

    As a consequence of NTSB Safety Recommendations H-02-26 and H-02-28, NHTSA performed a study to investigate the effects different load conditions may have on the dynamic rollover resistance of 15-passenger vans. The two vans used in this study, a 200...

  14. A New Method for Suppressing Periodic Narrowband Interference Based on the Chaotic van der Pol Oscillator

    NASA Astrophysics Data System (ADS)

    Lu, Jia; Zhang, Xiaoxing; Xiong, Hao

    The chaotic van der Pol oscillator is a powerful tool for detecting defects in electric systems by using online partial discharge (PD) monitoring. This paper focuses on realizing weak PD signal detection in the strong periodic narrowband interference by using high sensitivity to the periodic narrowband interference signals and immunity to white noise and PD signals of chaotic systems. A new approach to removing the periodic narrowband interference by using a van der Pol chaotic oscillator is described by analyzing the motion characteristic of the chaotic oscillator on the basis of the van der Pol equation. Furthermore, the Floquet index for measuring the amplitude of periodic narrowband signals is redefined. The denoising signal processed by the chaotic van der Pol oscillators is further processed by wavelet analysis. Finally, the denoising results verify that the periodic narrowband and white noise interference can be removed efficiently by combining the theory of the chaotic van der Pol oscillator and wavelet analysis.

  15. Visualizing One-Dimensional Electronic States and their Scattering in Semi-conducting Nanowires

    NASA Astrophysics Data System (ADS)

    Beidenkopf, Haim; Reiner, Jonathan; Norris, Andrew; Nayak, Abhay Kumar; Avraham, Nurit; Shtrikman, Hadas

    One-dimensional electronic systems constitute a fascinating playground for the emergence of exotic electronic effects and phases, within and beyond the Tomonaga-Luttinger liquid paradigm. More recently topological superconductivity and Majorana modes were added to that long list of phenomena. We report scanning tunneling microscopy and spectroscopy measurements conducted on pristine, epitaxialy grown InAs nanowires. We resolve the 1D electronic band structure manifested both via Van-Hove singularities in the local density-of-states, as well as by the quasi-particle interference patterns, induced by scattering from surface impurities. By studying the scattering of the one-dimensional electronic states off various scatterers, including crystallographic defects and the nanowire end, we identify new one-dimensional relaxation regimes and yet unexplored effects of interactions. Some of these may bear implications on the topological superconducting state and Majorana modes therein. The authors acknowledge support from the Israeli Science Foundation (ISF).

  16. Strain and curvature induced evolution of electronic band structures in twisted graphene bilayer.

    PubMed

    Yan, Wei; He, Wen-Yu; Chu, Zhao-Dong; Liu, Mengxi; Meng, Lan; Dou, Rui-Fen; Zhang, Yanfeng; Liu, Zhongfan; Nie, Jia-Cai; He, Lin

    2013-01-01

    It is well established that strain and geometry could affect the band structure of graphene monolayer dramatically. Here we study the evolution of local electronic properties of a twisted graphene bilayer induced by a strain and a high curvature, which are found to strongly affect the local band structures of the twisted graphene bilayer. The energy difference of the two low-energy van Hove singularities decreases with increasing lattice deformation and the states condensed into well-defined pseudo-Landau levels, which mimic the quantization of massive chiral fermions in a magnetic field of about 100 T, along a graphene wrinkle. The joint effect of strain and out-of-plane distortion in the graphene wrinkle also results in a valley polarization with a significant gap. These results suggest that strained graphene bilayer could be an ideal platform to realize the high-temperature zero-field quantum valley Hall effect.

  17. All-Optical Switching and Unidirectional Plasmon Launching with Nonlinear Dielectric Nanoantennas

    NASA Astrophysics Data System (ADS)

    Krasnok, Alex; Li, Sergey; Lepeshov, Sergey; Savelev, Roman; Baranov, Denis G.; Alú, Andrea

    2018-01-01

    High-index dielectric nanoparticles have become a powerful platform for nonlinear nanophotonics due to special types of optical nonlinearity, e.g. caused by electron-hole plasma (EHP) photoexcitation. We propose a highly tunable dielectric nanoantenna consisting of a chain of silicon particles excited by a dipole emitter. The nanoantenna exhibits slow group-velocity guided modes, corresponding to the Van Hove singularity in an infinite structure, which enable a large Purcell factor up to several hundred and are very sensitive to the nanoparticle permittivity. This sensitivity enables the nanoantenna tuning via EHP excitation with an ultrafast laser pumping. Dramatic variations in the nanoantenna radiation patterns and Purcell factor caused by ultrafast laser pumping of several boundary nanoparticles with relatively low intensities of about 25 GW /cm2 are shown. Unidirectional surface-plasmon polaritons launching with EHP excitation in the nanoantenna on a Ag substrate is demonstrated.

  18. Pitch Angle Dependence of Drift Resonant Ions Observed by the Van Allen Probes

    NASA Astrophysics Data System (ADS)

    Rankin, R.; Wang, C.; Wang, Y.; Zong, Q. G.; Zhou, X.

    2017-12-01

    Acceleration and modulation of ring current ions by poloidal mode ULF waves is investigated. A simplified MHD model of ULF waves in a dipole magnetic field is presented that includes phase mixing to perpendicular scales determined by the ionospheric Pedersen conductivity. The wave model is combined with a full Lorentz force test particle code to study drift and drift bounce resonance wave-particle interactions. Ion trajectories are traced backward-in-time to an assumed form of the distribution function, and Liouville's method is used to reconstruct the phase space density response (PSD) poloidal mode waves observed by the Van Allen Probes. In spite of its apparent simplicity, simulations using the wave and test particle models are able to explain the acceleration of ions and energy dispersion observed by the Van Allen Probes. The paper focuses on the pitch angle evolution of the initial PSD as it responds to the action of ULF waves. An interesting aspect of the study is the formation of butterfly ion distributions as ions make periodic radial oscillations across L. Ions become trapped in an effective potential well across a limited range of L and follow trajectories that cause them to surf along constant phase fronts. The impications of this new trapping mechanism for both ions and electrons is discussed.

  19. Bernard van Leer Foundation Annual Report, 2001.

    ERIC Educational Resources Information Center

    Bernard Van Leer Foundation, The Hague (Netherlands).

    This annual report for 2001 describes the year's activities, achievements, and financial status of the Bernard van Leer Foundation, a private foundation based in The Netherlands operating internationally to improve opportunities for young children from birth to age 7 living in circumstances of social and economic disadvantage. Following the…

  20. Bernard van Leer Foundation Annual Report, 2002.

    ERIC Educational Resources Information Center

    Bernard Van Leer Foundation, The Hague (Netherlands).

    This annual report for 2002 describes the year's activities, achievements, and financial status of the Bernard van Leer Foundation, a private foundation based in The Netherlands operating internationally to improve opportunities for young children from birth to age 7 living in circumstances of social and economic disadvantage. Following the…

  1. Recent Science Highlights of the Van Allen Probes Mission

    NASA Astrophysics Data System (ADS)

    Ukhorskiy, Aleksandr

    2016-10-01

    The morning of 30 August 2012 saw an Atlas 5 rocket launch NASA's second Living With a Star spacecraft mission, the twin Radiation Belt Storm Probes, into an elliptic orbit cutting through Earth's radiation belts. Renamed the Van Allen Probes soon after launch, the Probes are designed to determine how the highly variable populations of high-energy charged particles within the radiation belts, dangerous to astronauts and satellites, are created, respond to solar variations, and evolve in space environments. The Van Allen Probes mission extends beyond the practical considerations of the hazard's of Earth's space environment. Twentieth century observations of space and astrophysical systems throughout the solar system and out into the observable universe have shown that the processes that generate intense particle radiation within magnetized environments such as Earth's are universal. During its mission the Van Allen Probes verified and quantified previously suggested energization processes, discovered new energization mechanisms, revealed the critical importance of dynamic plasma injections into the innermost magnetosphere, and used uniquely capable instruments to reveal inner radiation belt features that were all but invisible to previous sensors. This paper gives a brief overview of the mission, presents some recent science highlights, and discusses plans for the extended mission.

  2. Influence of Van der Waals interaction on the thermodynamics properties of NaCl

    NASA Astrophysics Data System (ADS)

    Marcondes, M. L.; Wentzcovitch, R. M.; Assali, L. V. C.

    2016-12-01

    Equations of state (EoS) are extremely important in several scientific domains. However, many applications require EoS parameters at high pressures and temperatures. Experimental determination of these parameters is limited in such conditions and ab initio calculations have become important in computing them. Density Functional Theory (DFT) with its various approximations for exchange and correlation energy is the method of choice, but lack of a good description of the exchange-correlation energy results in large errors in EoS parameters. It is well known that the alkali halides have been problematic from the onset and the quest for DFT functionals appropriate for such ionic and relatively weakly bonded systems has remained an active topic of research. Here we use DFT + van der Waals functionals to calculate the thermal equation of state and thermodynamic properties of the B1 NaCl phase. Our results show a remarkable improvement over the performance of standard the LDA and GGA functionals. This is hardly surprising given that ions in this system have nearly closed shell configurations.

  3. The Global Positioning System constellation as a space weather monitor. Comparison of electron measurements with Van Allen Probes data

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Morley, Steven K.; Sullivan, John P.; Henderson, Michael G.

    Energetic electron observations in Earth's radiation belts are typically sparse, and multipoint studies often rely on serendipitous conjunctions. This paper establishes the scientific utility of the Combined X-ray Dosimeter (CXD), currently flown on 19 satellites in the Global Positioning System (GPS) constellation, by cross-calibrating energetic electron measurements against data from the Van Allen Probes. By breaking our cross calibration into two parts—one that removes any spectral assumptions from the CXD flux calculation and one that compares the energy spectra—we first validate the modeled instrument response functions, then the calculated electron fluxes. Unlike previous forward modeling of energetic electron spectra, wemore » use a combination of four distributions that together capture a wide range of observed spectral shapes. Moreover, our two-step approach allowed us to identify, and correct for, small systematic offsets between block IIR and IIF satellites. Using the Magnetic Electron Ion Spectrometer and Relativistic Electron-Proton Telescope on Van Allen Probes as a “gold standard,” here we demonstrate that the CXD instruments are well understood. A robust statistical analysis shows that CXD and Van Allen Probes fluxes are similar and the measured fluxes from CXD are typically within a factor of 2 of Van Allen Probes at energies inline image4 MeV. Our team present data from 17 CXD-equipped GPS satellites covering the 2015 “St. Patrick's Day” geomagnetic storm to illustrate the scientific applications of such a high data density satellite constellation and therefore demonstrate that the GPS constellation is positioned to enable new insights in inner magnetospheric physics and space weather forecasting.« less

  4. The Global Positioning System constellation as a space weather monitor. Comparison of electron measurements with Van Allen Probes data

    DOE PAGES

    Morley, Steven K.; Sullivan, John P.; Henderson, Michael G.; ...

    2016-02-06

    Energetic electron observations in Earth's radiation belts are typically sparse, and multipoint studies often rely on serendipitous conjunctions. This paper establishes the scientific utility of the Combined X-ray Dosimeter (CXD), currently flown on 19 satellites in the Global Positioning System (GPS) constellation, by cross-calibrating energetic electron measurements against data from the Van Allen Probes. By breaking our cross calibration into two parts—one that removes any spectral assumptions from the CXD flux calculation and one that compares the energy spectra—we first validate the modeled instrument response functions, then the calculated electron fluxes. Unlike previous forward modeling of energetic electron spectra, wemore » use a combination of four distributions that together capture a wide range of observed spectral shapes. Moreover, our two-step approach allowed us to identify, and correct for, small systematic offsets between block IIR and IIF satellites. Using the Magnetic Electron Ion Spectrometer and Relativistic Electron-Proton Telescope on Van Allen Probes as a “gold standard,” here we demonstrate that the CXD instruments are well understood. A robust statistical analysis shows that CXD and Van Allen Probes fluxes are similar and the measured fluxes from CXD are typically within a factor of 2 of Van Allen Probes at energies inline image4 MeV. Our team present data from 17 CXD-equipped GPS satellites covering the 2015 “St. Patrick's Day” geomagnetic storm to illustrate the scientific applications of such a high data density satellite constellation and therefore demonstrate that the GPS constellation is positioned to enable new insights in inner magnetospheric physics and space weather forecasting.« less

  5. Research and the Bernard van Leer Foundation.

    ERIC Educational Resources Information Center

    Wall, W. D.

    1978-01-01

    Outlines Bernard van Leer Foundation sponsorship of action programs and research studies of child development in 25 countries. The problems and possibilities of such work are discussed from the viewpoint of evaluation and the contribution which can be made to the behavioral sciences--notably to comparative child development. (Author/RH)

  6. Bernard van Leer Foundation Annual Report, 1999.

    ERIC Educational Resources Information Center

    Bernard Van Leer Foundation, The Hague (Netherlands).

    This annual report details the activities and financial status for 1999 of the Bernard van Leer Foundation, a private institution created in 1949 for broad humanitarian purposes. Following the introduction by the chairman of the Foundation's board of trustees, the report of the executive director details activities during the Foundation's fiftieth…

  7. Bernard van Leer Foundation Annual Report, 2000.

    ERIC Educational Resources Information Center

    Bernard Van Leer Foundation, The Hague (Netherlands).

    This annual report for 2000 describes the year's activities, achievements, and financial status of the Bernard van Leer Foundation, a private foundation based in The Netherlands that operates internationally to improve opportunities for young children from birth to age 7 living in circumstances of social and economic disadvantage. Following an…

  8. Overview of the critical disaster management challenges faced during Van 2011 earthquakes.

    PubMed

    Tolon, Mert; Yazgan, Ufuk; Ural, Derin N; Goss, Kay C

    2014-01-01

    On October 23, 2011, a M7.2 earthquake caused damage in a widespread area in the Van province located in eastern Turkey. This strong earthquake was followed by a M5.7 earthquake on November 9, 2011. This sequence of damaging earthquakes led to 644 fatalities. The management during and after these earthquake disaster imposed many critical challenges. In this article, an overview of these challenges is presented based on the observations by the authors in the aftermath of this disaster. This article presents the characteristics of 2011 Van earthquakes. Afterward, the key information related to the four main phases (ie, preparedness, mitigation, response, and recovery) of the disaster in Van is presented. The potential strategies that can be taken to improve the disaster management practice are identified, and a set of recommendations are proposed to improve the existing situation.

  9. Conversion of Chemical Reaction Energy into Useful Work in the Van't Hoff Equilibrium Box

    ERIC Educational Resources Information Center

    Bazhin, N. M.; Parmon, V. N.

    2007-01-01

    The ideal van't Hoff equilibrium box is described in detail. It shows that van't Hoff equilibrium box divided in two parts can simultaneously produce heat and useful work without violation of the first law of thermodynamics.

  10. Heath Van Essen - Clean Water Act Public Notice

    EPA Pesticide Factsheets

    The EPA is providing notice of a proposed Administrative Penalty Assessment against Heath Van Essen, Respondent, an individual who owns or operates an animal feeding operation (“Facility”) that is located in Section 27 of Township 98 North, Range 47 West,

  11. Confirming the appearance of excess success: Reply to van Boxtel and Koch (2016).

    PubMed

    Francis, Gregory

    2016-12-01

    van Boxtel and Koch (Psychonomic Bulletin & Review. doi: 10.3758/s13423-016-1010-0 , 2016) reported finding problems in the Test for Excess Success (TES) analysis in Francis (Psychonomic Bulletin & Review, 21, 1180-1187, 2014). They argued that their findings undermined the general analysis and the conclusions of the specific TES analysis for their article (van Boxtel & Koch in Psychological Science, 23(4), 410-418, 2012). As shown in this paper, their reported problems reflect misunderstandings about both the general properties of a TES analysis and how it was applied to their specific set of findings. Another look at the findings and theoretical claims in van Boxtel and Koch (Psychological Science, 23(4), 410-418, 2012) confirms the appearance of excess success.

  12. Comparison of three PCR primer sets for identification of vanB gene carriage in feces and correlation with carriage of vancomycin-resistant enterococci: interference by vanB-containing anaerobic bacilli.

    PubMed

    Ballard, S A; Grabsch, E A; Johnson, P D R; Grayson, M L

    2005-01-01

    We assessed the sensitivities and specificities of three previously described PCR primers on enrichment broth cultures of feces for the accurate detection of fecal carriage of vancomycin-resistant enterococci (VRE). In addition, we investigated specimens that were vanB PCR positive but VRE culture negative for the presence of other vanB-containing pathogens. Feces from 59 patients (12 patients carrying vanB Enterococcus faecium strains and 47 patients negative for VRE carriage) were cultured for 36 h in aerobic brain heart infusion (BHI) broth, anaerobic BHI (AnO(2)BHI) broth, or aerobic Enterococcosel (EC) broth. DNA was extracted from the cultures and tested for the presence of vanB by using the PCR primers of Dutka-Malen et al. (S. Dutka-Malen, S. Evers, and P. Courvalin, J. Clin. Microbiol. 33:24-27, 1995), Bell et al. (J. M. Bell, J. C. Paton, and J. Turnidge, J. Clin. Microbiol. 36:2187-2190, 1998), and Stinear et al. (T. P. Stinear, D. C. Olden, P. D. R. Johnson, J. K. Davies, and M. L. Grayson, Lancet 357:855-856, 2001). The sensitivity (specificity) of PCR compared with the results of culture on BHI, AnO(2)BHI, and EC broths were 67% (96%), 50% (94%), and 17% (100%), respectively, with the primers of Dutka-Malen et al.; 92% (60%), 92% (45%), and 92% (83%), respectively, with the primers of Bell et al.; and 92% (49%), 92% (43%), and 100% (51%) respectively, with the primers of Stinear et al. The primers of both Bell et al. and Stinear et al. were significantly more sensitive than those of Dutka-Malen et al. in EC broth (P = 0.001 and P < 0.001, respectively). The poor specificities for all primer pairs were due in part to the isolation and identification of six anaerobic gram-positive bacilli, Clostridium hathewayi (n = 3), a Clostridium innocuum-like organism (n = 1), Clostridium bolteae (n = 1), and Ruminococcus lactaris-like (n = 1), from five fecal specimens that were vanB positive but VRE culture negative. All six organisms were demonstrated to contain

  13. Bernard van Leer Foundation Annual Report 1998.

    ERIC Educational Resources Information Center

    Bernard Van Leer Foundation, The Hague (Netherlands).

    This document provides an annual report and financial review for 1998 of the Bernard van Leer Foundation, a private institution created in 1949 for broad humanitarian purposes. Following an introduction by chairman of the Foundation's board of trustees, a report of the executive director details the second year of implementation of the…

  14. Van der Waals forces in pNRQED

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Shtabovenko, Vladyslav

    2016-01-22

    We report on the calculation of electromagnetic van der Waals forces [1] between two hydrogen atoms using non-relativistic effective field theories (EFTs) of QED for large and small momentum transfers with respect to the intrinsic energy scale of the hydrogen atom. Our results reproduce the well known London and Casimir-Polder forces.

  15. Dynamical importance of van der Waals saddle and excited potential surface in C(1D)+D2 complex-forming reaction

    PubMed Central

    Shen, Zhitao; Ma, Haitao; Zhang, Chunfang; Fu, Mingkai; Wu, Yanan; Bian, Wensheng; Cao, Jianwei

    2017-01-01

    Encouraged by recent advances in revealing significant effects of van der Waals wells on reaction dynamics, many people assume that van der Waals wells are inevitable in chemical reactions. Here we find that the weak long-range forces cause van der Waals saddles in the prototypical C(1D)+D2 complex-forming reaction that have very different dynamical effects from van der Waals wells at low collision energies. Accurate quantum dynamics calculations on our highly accurate ab initio potential energy surfaces with van der Waals saddles yield cross-sections in close agreement with crossed-beam experiments, whereas the same calculations on an earlier surface with van der Waals wells produce much smaller cross-sections at low energies. Further trajectory calculations reveal that the van der Waals saddle leads to a torsion then sideways insertion reaction mechanism, whereas the well suppresses reactivity. Quantum diffraction oscillations and sharp resonances are also predicted based on our ground- and excited-state potential energy surfaces. PMID:28094253

  16. Determining Core Plasmaspheric Electron Densities with the Van Allen Probes

    NASA Astrophysics Data System (ADS)

    De Pascuale, S.; Hartley, D.; Kurth, W. S.; Kletzing, C.; Thaller, S. A.; Wygant, J. R.

    2016-12-01

    We survey three methods for obtaining electron densities inside of the core plasmasphere region (L < 4) to the perigee of the Van Allen Probes (L 1.1) from September 2012 to December 2014. Using the EMFISIS instrument on board the Van Allen Probes, electron densities are extracted from the upper hybrid resonance to an uncertainty of 10%. Some measurements are subject to larger errors given interpretational issues, especially at low densities (L > 4) resulting from geomagnetic activity. At high densities EMFISIS is restricted by an upper observable limit near 3000 cm-3. As this limit is encountered above perigee, we employ two additional methods validated against EMFISIS measurements to determine electron densities deep within the plasmasphere (L < 2). EMFISIS can extrapolate density estimates to lower L by calculating high densities, in good agreement with the upper hybrid technique when applicable, from plasma wave properties. Calibrated measurements, from the Van Allen Probes EFW potential instrument, also extend into this range. In comparison with the published EMFISIS database we provide a metric for the validity of core plasmaspheric density measurements obtained from these methods and an empirical density model for use in wave and particle simulations.

  17. De Haas-van Alphen effect of a two-dimensional ultracold atomic gas

    NASA Astrophysics Data System (ADS)

    Farias, B.; Furtado, C.

    2016-01-01

    In this paper, we show how the ultracold atom analogue of the two-dimensional de Haas-van Alphen effect in electronic condensed matter systems can be induced by optical fields in a neutral atomic system. The interaction between the suitable spatially varying laser fields and tripod-type trapped atoms generates a synthetic magnetic field which leads the particles to organize themselves in Landau levels. Initially, with the atomic gas in a regime of lowest Landau level, we display the oscillatory behaviour of the atomic energy and its derivative with respect to the effective magnetic field (B) as a function of 1/B. Furthermore, we estimate the area of the Fermi circle of the two-dimensional atomic gas.

  18. Near-Unity Absorption in van der Waals Semiconductors for Ultrathin Optoelectronics.

    PubMed

    Jariwala, Deep; Davoyan, Artur R; Tagliabue, Giulia; Sherrott, Michelle C; Wong, Joeson; Atwater, Harry A

    2016-09-14

    We demonstrate near-unity, broadband absorbing optoelectronic devices using sub-15 nm thick transition metal dichalcogenides (TMDCs) of molybdenum and tungsten as van der Waals semiconductor active layers. Specifically, we report that near-unity light absorption is possible in extremely thin (<15 nm) van der Waals semiconductor structures by coupling to strongly damped optical modes of semiconductor/metal heterostructures. We further fabricate Schottky junction devices using these highly absorbing heterostructures and characterize their optoelectronic performance. Our work addresses one of the key criteria to enable TMDCs as potential candidates to achieve high optoelectronic efficiency.

  19. Simulated Van Allen Belts Generated by Plasma Thruster in Tank 5

    NASA Image and Video Library

    1966-09-21

    The model of the Earth housed inside Vacuum Tank 5 contained a coil which produced a magnetic field simulating that of the Earth. It was bombarded with a stream of ionized particles simulating the solar wind which impinges on the Earth's magnetic field. The bands or belts of luminous plasma seen in this image were suggestive of the Van Allen belts found around the Earth. Scientists at Lewis probed the plasma around the model and studied scaling laws in an attempt to find an explanation for the actual formation of the Van Allen belt.

  20. 78 FR 47817 - Parts and Accessories Necessary for Safe Operation; Application for an Exemption From Van Hool N...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-08-06

    ....V. and Coach USA AGENCY: Federal Motor Carrier Safety Administration (FMCSA), DOT. ACTION: Notice of... exemption from Van Hool N.V. and Coach USA (Van Hool/Coach USA) to allow the use of double deck motorcoaches..., Van Hool/Coach USA is requesting an exemption that would allow the use of sleeper berths that comply...

  1. Bernard van Leer Foundation. Annual Report 1997.

    ERIC Educational Resources Information Center

    Bernard Van Leer Foundation, The Hague (Netherlands).

    This document provides an annual report and financial review of the Bernard van Leer Foundation, a private institution created in 1949 for broad humanitarian purposes. Following an introduction by the chairman of the Foundation's board of trustees, a report of the executive director details the first full-year of implementation of the Foundation's…

  2. Bernard van Leer Foundation Annual Report 1996.

    ERIC Educational Resources Information Center

    Bernard Van Leer Foundation, The Hague (Netherlands).

    This document provides an annual report and financial review for 1996 of the Bernard van Leer Foundation, a private institution created in 1949 for broad humanitarian purposes. Following a summary by the executive director of the Foundation, the report includes a description of the foundation and its grants. It then lists, by country, the major…

  3. Structural and electronic properties of multilayer graphene on monolayer hexagonal boron nitride/nickel (111) interface system: A van der Waals density functional study

    NASA Astrophysics Data System (ADS)

    Yelgel, Celal

    2016-02-01

    The structural and electronic properties of multilayer graphene adsorbed on monolayer hexagonal boron nitride (h-BN)/Ni(111) interface system are investigated using the density functional theory with a recently developed non-local van der Waals density functional (rvv10). The most energetically favourable configuration for a monolayer h-BN/Ni(111) interface is found to be N atom atop the Ni atoms and B atom in fcc site with the interlayer distance of 2.04 Å and adsorption energy of 302 meV/BN. Our results show that increasing graphene layers on a monolayer h-BN/Ni(111) interface leads to a weakening of the interfacial interaction between the monolayer h-BN and Ni(111) surface. The adsorption energy of graphene layers on the h-BN/Ni(111) interface is found to be in the range of the 50-120 meV/C atom as the vertical distance from h-BN to the bottommost graphene layers decreases. With the adsorption of a multilayer graphene on the monolayer h-BN/Ni(111) interface system, the band gap of 0.12 eV and 0.25 eV opening in monolayer graphene and bilayer graphene near the K point is found with an upward shifting of the Fermi level. However, a stacking-sensitive band gap is opened in trilayer graphene. We obtain the band gap of 0.35 eV close to the K point with forming a Mexican hat band structure for ABC-stacked trilayer graphene.

  4. Time-reversal symmetry in nonstationary Markov processes with application to some fluctuation theorems

    NASA Astrophysics Data System (ADS)

    Van Vliet, Carolyne M.

    2012-11-01

    Nonequilibrium processes require that the density operator of an interacting system with Hamiltonian H(t)=H0(t)+λV converges and produces entropy. Employing projection operators in the state space, the density operator is developed to all orders of perturbation and then resummed. In contrast to earlier treatments by Van Hove [Physica0031-891410.1016/S0031-8914(54)92646-4 21, 517 (1955)] and others [U. Fano, Rev. Mod. Phys.0034-686110.1103/RevModPhys.29.74 29, 74 (1959); U. Fano, in Lectures on the Many-Body Problem, Vol 2, edited by E. R. Caniello (Academic Press, New York, 1964); R. Zwanzig, in Lectures in Theoretical Physics, Vol. III, edited by W. E. Britten, B. W. Downs, and J. Downs (Wiley Interscience, New York, 1961), pp. 116-141; K. M. Van Vliet, J. Math. Phys.0022-248810.1063/1.523833 19, 1345 (1978); K. M. Van Vliet, Can. J. Phys. 56, 1206 (1978)], closed expressions are obtained. From these we establish the time-reversal symmetry property P(γ,t|γ',t')=P˜(γ',t'|γ,t), where the tilde refers to the time-reversed protocol; also a nonstationary Markovian master equation is derived. Time-reversal symmetry is then applied to thermostatted systems yielding the Crooks-Tasaki fluctuation theorem (FT) and the quantum Jarzynski work-energy theorem, as well as the general entropy FT. The quantum mechanical concepts of work and entropy are discussed in detail. Finally, we present a nonequilibrium extension of Mazo's lemma of linear response theory, obtaining some applications via this alternate route.

  5. A notable difference between ideal gas and infinite molar volume limit of van der Waals gas

    NASA Astrophysics Data System (ADS)

    Liu, Q. H.; Shen, Y.; Bai, R. L.; Wang, X.

    2010-05-01

    The van der Waals equation of state does not sufficiently represent a gas unless a thermodynamic potential with two proper and independent variables is simultaneously determined. The limiting procedures under which the behaviour of the van der Waals gas approaches that of an ideal gas are letting two van der Waals coefficients be zero rather than letting the molar volume become infinitely large; otherwise, the partial derivative of internal energy with respect to pressure at a fixed temperature does not vanish.

  6. Self-Aligned van der Waals Heterojunction Diodes and Transistors.

    PubMed

    Sangwan, Vinod K; Beck, Megan E; Henning, Alex; Luo, Jiajia; Bergeron, Hadallia; Kang, Junmo; Balla, Itamar; Inbar, Hadass; Lauhon, Lincoln J; Hersam, Mark C

    2018-02-14

    A general self-aligned fabrication scheme is reported here for a diverse class of electronic devices based on van der Waals materials and heterojunctions. In particular, self-alignment enables the fabrication of source-gated transistors in monolayer MoS 2 with near-ideal current saturation characteristics and channel lengths down to 135 nm. Furthermore, self-alignment of van der Waals p-n heterojunction diodes achieves complete electrostatic control of both the p-type and n-type constituent semiconductors in a dual-gated geometry, resulting in gate-tunable mean and variance of antiambipolar Gaussian characteristics. Through finite-element device simulations, the operating principles of source-gated transistors and dual-gated antiambipolar devices are elucidated, thus providing design rules for additional devices that employ self-aligned geometries. For example, the versatility of this scheme is demonstrated via contact-doped MoS 2 homojunction diodes and mixed-dimensional heterojunctions based on organic semiconductors. The scalability of this approach is also shown by fabricating self-aligned short-channel transistors with subdiffraction channel lengths in the range of 150-800 nm using photolithography on large-area MoS 2 films grown by chemical vapor deposition. Overall, this self-aligned fabrication method represents an important step toward the scalable integration of van der Waals heterojunction devices into more sophisticated circuits and systems.

  7. Molecular Characterization of Enterococcus faecalis N06-0364 with Low-Level Vancomycin Resistance Harboring a Novel d-Ala-d-Ser Gene Cluster, vanL▿

    PubMed Central

    Boyd, David A.; Willey, Barbara M.; Fawcett, Darlene; Gillani, Nazira; Mulvey, Michael R.

    2008-01-01

    Enterococcus faecalis N06-0364, exhibiting a vancomycin MIC of 8 μg/ml, was found to harbor a novel d-Ala-d-Ser gene cluster, designated vanL. The vanL gene cluster was similar in organization to the vanC operon, but the VanT serine racemase was encoded by two separate genes, vanTmL (membrane binding) and vanTrL (racemase). PMID:18458129

  8. Isotope engineering of van der Waals interactions in hexagonal boron nitride

    NASA Astrophysics Data System (ADS)

    Vuong, T. Q. P.; Liu, S.; van der Lee, A.; Cuscó, R.; Artús, L.; Michel, T.; Valvin, P.; Edgar, J. H.; Cassabois, G.; Gil, B.

    2018-02-01

    Hexagonal boron nitride is a model lamellar compound where weak, non-local van der Waals interactions ensure the vertical stacking of two-dimensional honeycomb lattices made of strongly bound boron and nitrogen atoms. We study the isotope engineering of lamellar compounds by synthesizing hexagonal boron nitride crystals with nearly pure boron isotopes (10B and 11B) compared to those with the natural distribution of boron (20 at% 10B and 80 at% 11B). On the one hand, as with standard semiconductors, both the phonon energy and electronic bandgap varied with the boron isotope mass, the latter due to the quantum effect of zero-point renormalization. On the other hand, temperature-dependent experiments focusing on the shear and breathing motions of adjacent layers revealed the specificity of isotope engineering in a layered material, with a modification of the van der Waals interactions upon isotope purification. The electron density distribution is more diffuse between adjacent layers in 10BN than in 11BN crystals. Our results open perspectives in understanding and controlling van der Waals bonding in layered materials.

  9. Isotope engineering of van der Waals interactions in hexagonal boron nitride.

    PubMed

    Vuong, T Q P; Liu, S; Van der Lee, A; Cuscó, R; Artús, L; Michel, T; Valvin, P; Edgar, J H; Cassabois, G; Gil, B

    2018-02-01

    Hexagonal boron nitride is a model lamellar compound where weak, non-local van der Waals interactions ensure the vertical stacking of two-dimensional honeycomb lattices made of strongly bound boron and nitrogen atoms. We study the isotope engineering of lamellar compounds by synthesizing hexagonal boron nitride crystals with nearly pure boron isotopes ( 10 B and 11 B) compared to those with the natural distribution of boron (20 at% 10 B and 80 at% 11 B). On the one hand, as with standard semiconductors, both the phonon energy and electronic bandgap varied with the boron isotope mass, the latter due to the quantum effect of zero-point renormalization. On the other hand, temperature-dependent experiments focusing on the shear and breathing motions of adjacent layers revealed the specificity of isotope engineering in a layered material, with a modification of the van der Waals interactions upon isotope purification. The electron density distribution is more diffuse between adjacent layers in 10 BN than in 11 BN crystals. Our results open perspectives in understanding and controlling van der Waals bonding in layered materials.

  10. Inflationary universe in terms of a van der Waals viscous fluid

    NASA Astrophysics Data System (ADS)

    Brevik, I.; Elizalde, E.; Odintsov, S. D.; Timoshkin, A. V.

    The inflationary expansion of our early-time universe is considered in terms of the van der Waals equation, as equation of state for the cosmic fluid, where a bulk viscosity contribution is assumed to be present. The corresponding gravitational equations for the energy density in a homogeneous and isotropic Friedmann-Lemaître-Robertson-Walker universe are solved, and an analytic expression for the scale factor is obtained. Attention is paid, specifically, to the role of the viscosity term in the accelerated expansion; the values of the slow-roll parameters, the spectral index, and the tensor-to-scalar ratio for the van der Waals model are calculated and compared with the most recent astronomical data from the Planck satellite. By imposing reasonable restrictions on the parameters of the van der Waals equation, in the presence of viscosity, it is shown to be possible for this model to comply quite precisely with the observational data. One can therefore conclude that the inclusion of viscosity in the theory of the inflationary epoch may definitely improve the cosmological models.

  11. Automated Identification and Shape Analysis of Chorus Elements in the Van Allen Radiation Belts

    NASA Astrophysics Data System (ADS)

    Sen Gupta, Ananya; Kletzing, Craig; Howk, Robin; Kurth, William; Matheny, Morgan

    2017-12-01

    An important goal of the Van Allen Probes mission is to understand wave-particle interaction by chorus emissions in terrestrial Van Allen radiation belts. To test models, statistical characterization of chorus properties, such as amplitude variation and sweep rates, is an important scientific goal. The Electric and Magnetic Field Instrument Suite and Integrated Science (EMFISIS) instrumentation suite provides measurements of wave electric and magnetic fields as well as DC magnetic fields for the Van Allen Probes mission. However, manual inspection across terabytes of EMFISIS data is not feasible and as such introduces human confirmation bias. We present signal processing techniques for automated identification, shape analysis, and sweep rate characterization of high-amplitude whistler-mode chorus elements in the Van Allen radiation belts. Specifically, we develop signal processing techniques based on the radon transform that disambiguate chorus elements with a dominant sweep rate against hiss-like chorus. We present representative results validating our techniques and also provide statistical characterization of detected chorus elements across a case study of a 6 s epoch.

  12. Large-scale atomistic and quantum-mechanical simulations of a Nafion membrane: Morphology, proton solvation and charge transport.

    PubMed

    Komarov, Pavel V; Khalatur, Pavel G; Khokhlov, Alexei R

    2013-01-01

    Atomistic and first-principles molecular dynamics simulations are employed to investigate the structure formation in a hydrated Nafion membrane and the solvation and transport of protons in the water channel of the membrane. For the water/Nafion systems containing more than 4 million atoms, it is found that the observed microphase-segregated morphology can be classified as bicontinuous: both majority (hydrophobic) and minority (hydrophilic) subphases are 3D continuous and organized in an irregular ordered pattern, which is largely similar to that known for a bicontinuous double-diamond structure. The characteristic size of the connected hydrophilic channels is about 25-50 Å, depending on the water content. A thermodynamic decomposition of the potential of mean force and the calculated spectral densities of the hindered translational motions of cations reveal that ion association observed with decreasing temperature is largely an entropic effect related to the loss of low-frequency modes. Based on the results from the atomistic simulation of the morphology of Nafion, we developed a realistic model of ion-conducting hydrophilic channel within the Nafion membrane and studied it with quantum molecular dynamics. The extensive 120 ps-long density functional theory (DFT)-based simulations of charge migration in the 1200-atom model of the nanochannel consisting of Nafion chains and water molecules allowed us to observe the bimodality of the van Hove autocorrelation function, which provides the direct evidence of the Grotthuss bond-exchange (hopping) mechanism as a significant contributor to the proton conductivity.

  13. Structuring of the Renewed Decision Making Process in the Royal Netherlands Army (Structurering van het vernieuwde besluitvormingsproces binnen de KL).

    DTIC Science & Technology

    1996-10-10

    time informatie wordt door Eisenhardt (1989) gedefinieerd als " information about a firm’s operations or environment for which there is little or no...op het invoeren van (getypte) tekst . Conclusie Elektronisch Brainstormen: * in principe geschikt om Eigen Mogelijkheden te genereren, vooral als de...Capaieairt ca •acitenit ca a• C ie•lit Fig. 1 Mogelijke wijzen van besluitvorming (zie tekst ) als functie van beschik- bare tijd, capaciteit en ervaring van

  14. Primary and secondary particle contributions to the depth dose distribution in a phantom shielded from solar flare and Van Allen protons

    NASA Technical Reports Server (NTRS)

    Santoro, R. T.; Claiborne, H. C.; Alsmiller, R. G., Jr.

    1972-01-01

    Calculations have been made using the nucleon-meson transport code NMTC to estimate the absorbed dose and dose equivalent distributions in astronauts inside space vehicles bombarded by solar flare and Van Allen protons. A spherical shell shield of specific radius and thickness with a 30-cm-diam. tissue ball at the geometric center was used to simulate the spacecraft-astronaut configuration. The absorbed dose and the dose equivalent from primary protons, secondary protons, heavy nuclei, charged pions, muons, photons, and positrons and electrons are given as a function of depth in the tissue phantom. Results are given for solar flare protons with a characteristic rigidity of 100 MV and for Van Allen protons in a 240-nautical-mile circular orbit at 30 degree inclination angle incident on both 20-g/sq cm-thick aluminum and polyethylene spherical shell shields.

  15. Evaluatie Kennistechnologische Ondersteuning bij Diagnose van SEWACO systemen (Projectmanagementplan) (Evaluation of Knowledge Technological Support for Diagnosis of SEWACO Systems (Project Management Plan)

    DTIC Science & Technology

    1991-08-01

    diagnos van SE WACO systmnen/ AD-A245 424111 1fl1,l Niets uit deze uitgave mag warden vermenigvuldligd en/of oPenbaar gemaakt door middel van druk...fotakopie. microfilm of op welks andere whlze dan ook, zonder voorafgaande toeslemming van TNO. Hot ter inzage geven van het TNO-rapport aan direct...belanghebbenden is tegestaan. HYP. vanl OC dt Indian dit rapport in opdracht ward uitgebracht, wordt voor de, rechten en verpiichtingen van opdrachtgever en

  16. Phase-Defined van der Waals Schottky Junctions with Significantly Enhanced Thermoelectric Properties.

    PubMed

    Wang, Qiaoming; Yang, Liangliang; Zhou, Shengwen; Ye, Xianjun; Wang, Zhe; Zhu, Wenguang; McCluskey, Matthew D; Gu, Yi

    2017-07-06

    We demonstrate a van der Waals Schottky junction defined by crystalline phases of multilayer In 2 Se 3 . Besides ideal diode behaviors and the gate-tunable current rectification, the thermoelectric power is significantly enhanced in these junctions by more than three orders of magnitude compared with single-phase multilayer In 2 Se 3 , with the thermoelectric figure-of-merit approaching ∼1 at room temperature. Our results suggest that these significantly improved thermoelectric properties are not due to the 2D quantum confinement effects but instead are a consequence of the Schottky barrier at the junction interface, which leads to hot carrier transport and shifts the balance between thermally and field-driven currents. This "bulk" effect extends the advantages of van der Waals materials beyond the few-layer limit. Adopting such an approach of using energy barriers between van der Waals materials, where the interface states are minimal, is expected to enhance the thermoelectric performance in other 2D materials as well.

  17. Controlling the electronic properties of van der Waals heterostructures by applying electrostatic design

    NASA Astrophysics Data System (ADS)

    Winkler, Christian; Harivyasi, Shashank S.; Zojer, Egbert

    2018-07-01

    Van der Waals heterostructures based on the heteroassembly of 2D materials represent a recently developed class of materials with promising properties especially for optoelectronic applications. The alignment of electronic energy bands between consecutive layers of these heterostructures crucially determines their functionality. In the present paper, relying on dispersion-corrected density-functional theory calculations, we present electrostatic design as a promising tool for manipulating this band alignment. The latter is achieved by inserting a layer of aligned polar molecules between consecutive transition-metal dichalcogenide (TMD) sheets. As a consequence, collective electrostatic effects induce a shift of as much as 0.3 eV in the band edges of successive TMD layers. Building on that, the proposed approach can be used to design electronically more complex systems, like quantum cascades or quantum wells, or to change the type of band lineup between type II and type I.

  18. Van der Waals interaction mediated by an optically uniaxial layer

    NASA Astrophysics Data System (ADS)

    Šarlah, A.; Žumer, S.

    2001-11-01

    We study the van der Waals interaction between macroscopic bodies separated by a thin anisotropic film with a uniaxial permittivity tensor. We describe the effect of anisotropy of the media on the magnitude and sign of the interaction. The resulting differences in the van der Waals interaction are especially important for the stability of strongly confined liquid crystals, and nanostructures characterized by highly uniaxial macroscopic molecular arrangement, such as in self-assemblies of long organic molecules forming films, membranes, colloids, etc. We introduce an improved expression for the Hamaker constant which takes into account the uniaxial symmetry of a medium. In special cases neglecting the optical anisotropy even leads to an incorrect sign of the interaction.

  19. Importance of van der Waals interaction on structural, vibrational, and thermodynamic properties of NaCl

    NASA Astrophysics Data System (ADS)

    Marcondes, Michel L.; Wentzcovitch, Renata M.; Assali, Lucy V. C.

    2018-05-01

    Thermal equations of state (EOS) are essential in several scientific domains. However, experimental determination of EOS parameters may be limited at extreme conditions, therefore, ab initio calculations have become an important method to obtain them. Density functional theory (DFT) and its extensions with various degrees of approximations for the exchange and correlation (XC) energy is the method of choice, but large errors in the EOS parameters are still common. The alkali halides have been problematic from the onset of this field and the quest for appropriate DFT functionals for such ionic and relatively weakly bonded systems has remained an active topic of research. Here we use DFT + van der Waals functionals to calculate vibrational properties, thermal EOS, thermodynamic properties, and the B1 to B2 phase boundary of NaCl with high precision. Our results reveal a remarkable improvement over the performance of standard local density approximation and generalized gradient approximation functionals for all these properties and phase transition boundary, as well as great sensitivity of anharmonic effects on the choice of XC functional.

  20. Teaching Strategies of the van Dijk Curricular Approach.

    ERIC Educational Resources Information Center

    MacFarland, S. Z. C.

    1995-01-01

    This article presents 14 major teaching strategies for implementing the Jan van Dijk curricular approach with children who are deaf-blind. The theory underlying the approach is reported, and guidelines for implementing instructional strategies in the areas of communication, socialization, conceptualization, and movement are discussed. (Author/DB)

  1. Infrared photodetectors based on graphene van der Waals heterostructures

    NASA Astrophysics Data System (ADS)

    Ryzhii, V.; Ryzhii, M.; Svintsov, D.; Leiman, V.; Mitin, V.; Shur, M. S.; Otsuji, T.

    2017-08-01

    We propose and evaluate the graphene layer (GL) infrared photodetectors (GLIPs) based on the van der Waals (vdW) heterostructures with the radiation absorbing GLs. The operation of the GLIPs is associated with the electron photoexcitation from the GL valence band to the continuum states above the inter-GL barriers (either via tunneling or direct transitions to the continuum states). Using the developed device model, we calculate the photodetector characteristics as functions of the GL-vdW heterostructure parameters. We show that due to a relatively large efficiency of the electron photoexcitation and low capture efficiency of the electrons propagating over the barriers in the inter-GL layers, GLIPs should exhibit the elevated photoelectric gain and detector responsivity as well as relatively high detectivity. The possibility of high-speed operation, high conductivity, transparency of the GLIP contact layers, and the sensitivity to normally incident IR radiation provides additional potential advantages in comparison with other IR photodetectors. In particular, the proposed GLIPs can compete with unitravelling-carrier photodetectors.

  2. Vibration-rotation-tunneling spectroscopy of the van der Waals Bond: A new look at intermolecular forces

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Cohen, R.C.; Saykally, R.J.

    Measurements of the low-frequency van der Waals vibrations in weakly bound complexes by high-resolution laser spectroscopy provide a means to probe intermolecular forces at unprecedented levels of detail and precision. Several new methods are presently being used to record vibration/rotation-tunneling (VRT) transitions associated with the motions of the weak bonds in van der Waals clusters. The most direct measurements are those probing only the van der Waals modes themselves, which occur at far-infrared wavelengths. This article presents a review of the information on both intramolecular forces and intramolecular dynamics that has been obtained from far-infrared VRT spectra of 18 complexesmore » during the past several years. Some rotationally resolved measurements of van der Waals modes observed in combination with electronic or vibrational excitation are also discussed. 185 refs., 15 figs., 1 tab.« less

  3. A Case of Brown-Vialetto-Van Laere Syndrome Due To a Novel Mutation in SLC52A3 Gene: Clinical Course and Response to Riboflavin.

    PubMed

    Thulasi, Venkatraman; Veerapandiyan, Aravindhan; Pletcher, Beth A; Tong, Chun M; Ming, Xue

    2017-01-01

    Brown-Vialetto-Van Laere syndrome is a rare disorder characterized by motor, sensory, and cranial neuronopathies, associated with mutations in SLC52A2 and SLC52A3 genes that code for human riboflavin transporters RFVT2 and RFVT3, respectively. The authors describe the clinical course of a 6-year-old girl with Brown-Vialetto-Van Laere syndrome and a novel homozygous mutation c.1156T>C in the SLC52A3 gene, who presented at the age of 2.5 years with progressive brain stem dysfunction including ptosis, facial weakness, hearing loss, dysphagia, anarthria with bilateral vocal cord paralysis, and ataxic gait. She subsequently developed respiratory failure requiring tracheostomy and worsening dysphagia necessitating a gastrostomy. Following riboflavin supplementation, resolution of facial diplegia and ataxia, improvements in ptosis, and bulbar function including vocalization and respiration were noted. However, her sensorineural hearing loss remained unchanged. Similar to other cases of Brown-Vialetto-Van Laere syndrome, our patient responded favorably to early riboflavin supplementation with significant but not complete neurologic recovery.

  4. A novel method for simultaneous Enterococcus species identification/typing and van genotyping by high resolution melt analysis.

    PubMed

    Gurtler, Volker; Grando, Danilla; Mayall, Barrie C; Wang, Jenny; Ghaly-Derias, Shahbano

    2012-09-01

    In order to develop a typing and identification method for van gene containing Enterococcus faecium, two multiplex PCR reactions were developed for use in HRM-PCR (High Resolution Melt-PCR): (i) vanA, vanB, vanC, vanC23 to detect van genes from different Enterococcus species; (ii) ISR (intergenic spacer region between the 16S and 23S rRNA genes) to detect all Enterococcus species and obtain species and isolate specific HRM curves. To test and validate the method three groups of isolates were tested: (i) 1672 Enterococcus species isolates from January 2009 to December 2009; (ii) 71 isolates previously identified and typed by PFGE (pulsed-field gel electrophoresis) and MLST (multi-locus sequence typing); and (iii) 18 of the isolates from (i) for which ISR sequencing was done. As well as successfully identifying 2 common genotypes by HRM from the Austin Hospital clinical isolates, this study analysed the sequences of all the vanB genes deposited in GenBank and developed a numerical classification scheme for the standardised naming of these vanB genotypes. The identification of Enterococcus faecalis from E. faecium was reliable and stable using ISR PCR. The typing of E. faecium by ISR PCR: (i) detected two variable peaks corresponding to different copy numbers of insertion sequences I and II corresponding to peak I and II respectively; (ii) produced 7 melt profiles for E. faecium with variable copy numbers of sequences I and II; (iii) demonstrated stability and instability of peak heights with equal frequency within the patient sample (36.4±4.5 days and 38.6±5.8 days respectively for 192 patients); (iv) detected ISR-HRM types with as much discrimination as PFGE and more than MLST; and (v) detected ISR-HRM types that differentiated some isolates that were identical by PFGE and MLST. In conjunction with the rapid and accurate van genotyping method described here, this ISR-HRM typing and identification method can be used as a stable identification and typing method with

  5. Characterization and modelling of VanT: a novel, membrane-bound, serine racemase from vancomycin-resistant Enterococcus gallinarum BM4174.

    PubMed

    Arias, C A; Martín-Martinez, M; Blundell, T L; Arthur, M; Courvalin, P; Reynolds, P E

    1999-03-01

    Sequence determination of a region downstream from the vanXYc gene in Enterococcus gallinarum BM4174 revealed an open reading frame, designated vanT, that encodes a 698-amino-acid polypeptide with an amino-terminal domain containing 10 predicted transmembrane segments. The protein contained a highly conserved pyridoxal phosphate attachment site in the C-terminal domain, typical of alanine racemases. The protein was overexpressed in Escherichia coli, and serine racemase activity was detected in the membrane but not in the cytoplasmic fraction after centrifugation of sonicated cells, whereas alanine racemase activity was located almost exclusively in the cytoplasm. When the protein was overexpressed as a polypeptide lacking the predicted transmembrane domain, serine racemase activity was detected in the cytoplasm. The serine racemase activity was partially (64%) inhibited by D-cycloserine, whereas host alanine racemase activity was almost totally inhibited (97%). Serine racemase activity was also detected in membrane preparations of constitutively vancomycin-resistant E. gallinarum BM4174 but not in BM4175, in which insertional inactivation of the vanC-1 D-Ala:D-Ser ligase gene probably had a polar effect on expression of the vanXYc and vanT genes. Comparative modelling of the deduced C-terminal domain was based on the alignment of VanT with the Air alanine racemase from Bacillus stearothermophilus. The model revealed that almost all critical amino acids in the active site of Air were conserved in VanT, indicating that the C-terminal domain of VanT is likely to adopt a three-dimensional structure similar to that of Air and that the protein could exist as a dimer. These results indicate that the source of D-serine for peptidoglycan synthesis in vancomycin-resistant enterococci expressing the VanC phenotype involves racemization of L- to D-serine by a membrane-bound serine racemase.

  6. Geometrothermodynamics of Van der Waals black hole

    NASA Astrophysics Data System (ADS)

    Hu, Yumin; Chen, Juhua; Wang, Yongjiu

    2017-12-01

    We study the geometrothermodynamics of a special asymptotically AdS black hole, i.e. Van der Waals ( VdW) black hole, in the extended phase space where the negative cosmological constant Λ can be regarded as thermodynamic pressure. Analysing some special conditions of this black hole with geometrothermodynamical method, we find a good correlation with ordinary cases according to the state equation.

  7. Bio-Aerosol Testkamer: Ontwikkeling van Protocollen (Bio Aerosol Test Chamber: Development of Protocols)

    DTIC Science & Technology

    2007-07-01

    testfaciliteit detector met de drie simulanten getest beschikbaar gekomen voor het testen van Beschrijving van de worden volgens gangbare internationale bio...2005 werd de Bio-Adrosol Testkamer (BAT-kamer) geplaatst door de firma Dycor Technologies Ltd., Canada. In de BAT-kamner kan een bio-ai5rosol...bestaande ruimte past. In beide gevallen bleek de firma Dycor Technologies Ltd in Canada (http://www.dycor.com) de beste leverancier te zijn, en voor beide

  8. 49 CFR 393.128 - What are the rules for securing automobiles, light trucks and vans?

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 49 Transportation 5 2013-10-01 2013-10-01 false What are the rules for securing automobiles, light... automobiles, light trucks and vans? (a) Applicability. The rules in this section apply to the transportation of automobiles, light trucks, and vans which individually weigh 4,536 kg. (10,000 lb) or less...

  9. 49 CFR 393.128 - What are the rules for securing automobiles, light trucks and vans?

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 49 Transportation 5 2010-10-01 2010-10-01 false What are the rules for securing automobiles, light... automobiles, light trucks and vans? (a) Applicability. The rules in this section apply to the transportation of automobiles, light trucks, and vans which individually weigh 4,536 kg. (10,000 lb) or less...

  10. 49 CFR 393.128 - What are the rules for securing automobiles, light trucks and vans?

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 49 Transportation 5 2012-10-01 2012-10-01 false What are the rules for securing automobiles, light... automobiles, light trucks and vans? (a) Applicability. The rules in this section apply to the transportation of automobiles, light trucks, and vans which individually weigh 4,536 kg. (10,000 lb) or less...

  11. 49 CFR 393.128 - What are the rules for securing automobiles, light trucks and vans?

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 49 Transportation 5 2014-10-01 2014-10-01 false What are the rules for securing automobiles, light... automobiles, light trucks and vans? (a) Applicability. The rules in this section apply to the transportation of automobiles, light trucks, and vans which individually weigh 4,536 kg. (10,000 lb) or less...

  12. 49 CFR 393.128 - What are the rules for securing automobiles, light trucks and vans?

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 49 Transportation 5 2011-10-01 2011-10-01 false What are the rules for securing automobiles, light... automobiles, light trucks and vans? (a) Applicability. The rules in this section apply to the transportation of automobiles, light trucks, and vans which individually weigh 4,536 kg. (10,000 lb) or less...

  13. 46 CFR 194.10-15 - Magazine van construction.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 46 Shipping 7 2010-10-01 2010-10-01 false Magazine van construction. 194.10-15 Section 194.10-15 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) OCEANOGRAPHIC RESEARCH VESSELS HANDLING... system shall be of watertight construction and bear a label plate denoting the power requirement of the...

  14. Direction-specific van der Waals attraction between rutile TiO2 nanocrystals

    NASA Astrophysics Data System (ADS)

    Zhang, Xin; He, Yang; Sushko, Maria L.; Liu, Jia; Luo, Langli; De Yoreo, James J.; Mao, Scott X.; Wang, Chongmin; Rosso, Kevin M.

    2017-04-01

    Mutual lattice orientations dictate the types and magnitudes of forces between crystalline particles. When lattice polarizability is anisotropic, the van der Waals dispersion attraction can, in principle, contribute to this direction dependence. We report measurement of this attraction between rutile nanocrystals, as a function of their mutual orientation and surface hydration extent. At tens of nanometers of separation, the attraction is weak and shows no dependence on azimuthal alignment or surface hydration. At separations of approximately one hydration layer, the attraction is strongly dependent on azimuthal alignment and systematically decreases as intervening water density increases. Measured forces closely agree with predictions from Lifshitz theory and show that dispersion forces can generate a torque between particles interacting in solution and between grains in materials.

  15. 12 & 15 passenger vans tire pressure study : preliminary results

    DOT National Transportation Integrated Search

    2005-05-01

    A study was conducted by the National Highway Traffic Safety Administration's (NHTSA's) National Center for Statistics and Analysis (NCSA) to determine the extent of underinflation and observe the tire condition in 12- and 15-passenger vans. This Res...

  16. Spiral magnetism in the single-band Hubbard model: the Hartree-Fock and slave-boson approaches.

    PubMed

    Igoshev, P A; Timirgazin, M A; Gilmutdinov, V F; Arzhnikov, A K; Irkhin, V Yu

    2015-11-11

    The ground-state magnetic phase diagram is investigated within the single-band Hubbard model for square and different cubic lattices. The results of employing the generalized non-correlated mean-field (Hartree-Fock) approximation and generalized slave-boson approach by Kotliar and Ruckenstein with correlation effects included are compared. We take into account commensurate ferromagnetic, antiferromagnetic, and incommensurate (spiral) magnetic phases, as well as phase separation into magnetic phases of different types, which was often lacking in previous investigations. It is found that the spiral states and especially ferromagnetism are generally strongly suppressed up to non-realistically large Hubbard U by the correlation effects if nesting is absent and van Hove singularities are well away from the paramagnetic phase Fermi level. The magnetic phase separation plays an important role in the formation of magnetic states, the corresponding phase regions being especially wide in the vicinity of half-filling. The details of non-collinear and collinear magnetic ordering for different cubic lattices are discussed.

  17. Local magnetic moments in iron and nickel at ambient and Earth’s core conditions

    PubMed Central

    Hausoel, A.; Karolak, M.; Şaşιoğlu, E.; Lichtenstein, A.; Held, K.; Katanin, A.; Toschi, A.; Sangiovanni, G.

    2017-01-01

    Some Bravais lattices have a particular geometry that can slow down the motion of Bloch electrons by pre-localization due to the band-structure properties. Another known source of electronic localization in solids is the Coulomb repulsion in partially filled d or f orbitals, which leads to the formation of local magnetic moments. The combination of these two effects is usually considered of little relevance to strongly correlated materials. Here we show that it represents, instead, the underlying physical mechanism in two of the most important ferromagnets: nickel and iron. In nickel, the van Hove singularity has an unexpected impact on the magnetism. As a result, the electron–electron scattering rate is linear in temperature, in violation of the conventional Landau theory of metals. This is true even at Earth’s core pressures, at which iron is instead a good Fermi liquid. The importance of nickel in models of geomagnetism may have therefore to be reconsidered. PMID:28799538

  18. Strain effects on the optical conductivity of gapped graphene in the presence of Holstein phonons beyond the Dirac cone approximation

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Yarmohammadi, Mohsen, E-mail: m.yarmohammadi69@gmail.com

    2016-08-15

    In this paper we study the optical conductivity and density of states (DOS) of doped gapped graphene beyond the Dirac cone approximation in the presence of electron-phonon (e-ph) interaction under strain, i.e., within the framework of a full π-band Holstein model, by using the Kubo linear response formalism that is established upon the retarded self-energy. A new peak in the optical conductivity for a large enough e-ph interaction strength is found which is associated to transitions between the midgap states and the Van Hove singularities of the main π-band. Optical conductivity decreases with strain and at large strains, the systemmore » has a zero optical conductivity at low energies due to optically inter-band excitations through the limit of zero doping. As a result, the Drude weight changes with e-ph interaction, temperature and strain. Consequently, DOS and optical conductivity remains stable with temperature at low e-ph coupling strengths.« less

  19. Terahertz conductivity of twisted bilayer graphene

    NASA Astrophysics Data System (ADS)

    Chia, Elbert E. M.; Zou, Xingquan; Shang, Jingzhi; Leaw, Jianing; Luo, Zhiqiang; Luo, Liyan; Cheong, Siew Ann; Su, Haibin; Zhu, Jian-Xin; Castro Neto, A. H.; Yu, Ting

    2013-03-01

    Using terahertz time-domain spectroscopy, the real part of optical conductivity [σ1 (ω) ] of twisted bilayer graphene was obtained at different temperatures (10 - 300 K) in the frequency range 0.3 - 3 THz. On top of a Drude-like response, we see a strong and narrow peak in σ1 (ω) at ~2.7 THz. We analyze the overall Drude-like response using a disorder-dependent (unitary scattering) model, then attribute the peak at 2.7 THz to an enhanced density of states at that energy, that is caused by the presence of van Hove singularities arising from a commensurate twisting of the two graphene layers. Singapore MOE AcRF Tier 2 (ARC 23/08), NRF-CRP (NRF-CRP4-2008-04), NNSA of the U.S. DOE at LANL (DE-AC52-06NA25396), LANL LDRD Program, NRF-CRP (R-144-000-295-281), DOE DE-FG02-08ER46512, ONR MURI N00014-09-1-1063.

  20. Local magnetic moments in iron and nickel at ambient and Earth's core conditions.

    PubMed

    Hausoel, A; Karolak, M; Şaşιoğlu, E; Lichtenstein, A; Held, K; Katanin, A; Toschi, A; Sangiovanni, G

    2017-07-12

    Some Bravais lattices have a particular geometry that can slow down the motion of Bloch electrons by pre-localization due to the band-structure properties. Another known source of electronic localization in solids is the Coulomb repulsion in partially filled d or f orbitals, which leads to the formation of local magnetic moments. The combination of these two effects is usually considered of little relevance to strongly correlated materials. Here we show that it represents, instead, the underlying physical mechanism in two of the most important ferromagnets: nickel and iron. In nickel, the van Hove singularity has an unexpected impact on the magnetism. As a result, the electron-electron scattering rate is linear in temperature, in violation of the conventional Landau theory of metals. This is true even at Earth's core pressures, at which iron is instead a good Fermi liquid. The importance of nickel in models of geomagnetism may have therefore to be reconsidered.

  1. DOE Office of Scientific and Technical Information (OSTI.GOV)

    Markiewicz, R. S.; Buda, I. G.; Mistark, P.

    Here, we propose a new approach to understand the origin of the pseudogap in the cuprates, in terms of bosonic entropy. The near-simultaneous softening of a large number of different q-bosons yields an extended range of short-range order, wherein the growth of magnetic correlations with decreasing temperature T is anomalously slow. These entropic effects cause the spectral weight associated with the Van Hove singularity (VHS) to shift rapidly and nearly linearly toward half filling at higher T, consistent with a picture of the VHS driving the pseudogap transition at a temperature ~T*. As a byproduct, we develop an order-parameter classificationmore » scheme that predicts supertransitions between families of order parameters. As one example, we find that by tuning the hopping parameters, it is possible to drive the cuprates across a transition between Mott and Slater physics, where a spin-frustrated state emerges at the crossover.« less

  2. Universal phase diagrams with superconducting domes for electronic flat bands

    NASA Astrophysics Data System (ADS)

    Löthman, Tomas; Black-Schaffer, Annica M.

    2017-08-01

    Condensed matter systems with flat bands close to the Fermi level generally exhibit, due to their very large density of states, extraordinarily high critical ordering temperatures of symmetry-breaking orders, such as superconductivity and magnetism. Here we show that the critical temperatures follow one of two universal curves with doping away from a flat band depending on the ordering channel, which completely dictates both the general order competition and the phase diagram. Notably, we find that orders in the particle-particle channel (superconducting orders) survive decisively farther than orders in the particle-hole channel (magnetic or charge orders) because the channels have fundamentally different polarizabilities. Thus, even if a magnetic or charge order initially dominates, superconducting domes are still likely to exist on the flanks of flat bands. We apply these general results to both the topological surface flat bands of rhombohedral ABC-stacked graphite and to the Van Hove singularity of graphene.

  3. Nonlinear Pauli susceptibilities in Sr 3 Ru 2 O 7 and universal features of itinerant metamagnetism

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Shivaram, B. S.; Luo, Jing; Chern, Gia-Wei

    We report, for the first time, measurements of the third order, x 3 and fifth order, x 5, susceptibilities in an itinerant oxide metamagnet, Sr 3Ru 2O 7 for magnetic fields both parallel and perpendicular to the c-axis. These susceptibilities exhibit maxima in their temperature dependence such that T 1 ≈ 2T 3 ≈ 4T 5 where the T i are the position in temperature where a peak in the i-th order susceptibility occurs. These features taken together with the scaling of the critical field with the temperature T 1 observed in a diverse variety of itinerant metamagnets find amore » natural explanation in a single band model with one Van Hove singularity (VHS) and onsite repulsion U. The separation of the VHS from the Fermi energy V, sets a single energy scale, which is the primary driver for the observed features of itinerant metamagnetism at low temperatures.« less

  4. Radiative heat transfer exceeding the blackbody limit between macroscale planar surfaces separated by a nanosize vacuum gap

    NASA Astrophysics Data System (ADS)

    Bernardi, Michael P.; Milovich, Daniel; Francoeur, Mathieu

    2016-09-01

    Using Rytov's fluctuational electrodynamics framework, Polder and Van Hove predicted that radiative heat transfer between planar surfaces separated by a vacuum gap smaller than the thermal wavelength exceeds the blackbody limit due to tunnelling of evanescent modes. This finding has led to the conceptualization of systems capitalizing on evanescent modes such as thermophotovoltaic converters and thermal rectifiers. Their development is, however, limited by the lack of devices enabling radiative transfer between macroscale planar surfaces separated by a nanosize vacuum gap. Here we measure radiative heat transfer for large temperature differences (~120 K) using a custom-fabricated device in which the gap separating two 5 × 5 mm2 intrinsic silicon planar surfaces is modulated from 3,500 to 150 nm. A substantial enhancement over the blackbody limit by a factor of 8.4 is reported for a 150-nm-thick gap. Our device paves the way for the establishment of novel evanescent wave-based systems.

  5. Nonlinear Pauli susceptibilities in Sr 3 Ru 2 O 7 and universal features of itinerant metamagnetism

    DOE PAGES

    Shivaram, B. S.; Luo, Jing; Chern, Gia-Wei; ...

    2018-03-12

    We report, for the first time, measurements of the third order, x 3 and fifth order, x 5, susceptibilities in an itinerant oxide metamagnet, Sr 3Ru 2O 7 for magnetic fields both parallel and perpendicular to the c-axis. These susceptibilities exhibit maxima in their temperature dependence such that T 1 ≈ 2T 3 ≈ 4T 5 where the T i are the position in temperature where a peak in the i-th order susceptibility occurs. These features taken together with the scaling of the critical field with the temperature T 1 observed in a diverse variety of itinerant metamagnets find amore » natural explanation in a single band model with one Van Hove singularity (VHS) and onsite repulsion U. The separation of the VHS from the Fermi energy V, sets a single energy scale, which is the primary driver for the observed features of itinerant metamagnetism at low temperatures.« less

  6. Effect of pressure on the superconducting {ital T}{sub {ital c}} of lanthanum

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Tissen, V.G.; Ponyatovskii, E.G.; Nefedova, M.V.

    1996-04-01

    The effect of pressure on the superconducting transition temperature {ital T}{sub {ital c}} of La was studied up to 50 GPa. {ital T}{sub {ital c}}({ital P}) shows a rather complicated variation with a discontinuous increase in {ital T}{sub {ital c}} at about 2.2 GPa due to the first-order phase transition from dhcp to fcc structure. At about 5.4 GPa a sharp peak is observed due to the soft-mode phase transition from fcc to the distorted fcc structure and two broad maxima are found within the stability region of the distorted fcc structure around 12 and 39 GPa. Some differences betweenmore » these and previous low-pressure data for metastable fcc La are noticed. The results are discussed in connection with pressure-induced structural phase transitions found in earlier x-ray-diffraction experiments and band-structure calculations giving evidences for van Hove singularities in the density of states. {copyright} {ital 1996 The American Physical Society.}« less

  7. Entropic Origin of Pseudogap Physics and a Mott-Slater Transition in Cuprates

    DOE PAGES

    Markiewicz, R. S.; Buda, I. G.; Mistark, P.; ...

    2017-03-22

    Here, we propose a new approach to understand the origin of the pseudogap in the cuprates, in terms of bosonic entropy. The near-simultaneous softening of a large number of different q-bosons yields an extended range of short-range order, wherein the growth of magnetic correlations with decreasing temperature T is anomalously slow. These entropic effects cause the spectral weight associated with the Van Hove singularity (VHS) to shift rapidly and nearly linearly toward half filling at higher T, consistent with a picture of the VHS driving the pseudogap transition at a temperature ~T*. As a byproduct, we develop an order-parameter classificationmore » scheme that predicts supertransitions between families of order parameters. As one example, we find that by tuning the hopping parameters, it is possible to drive the cuprates across a transition between Mott and Slater physics, where a spin-frustrated state emerges at the crossover.« less

  8. Raman enhancement on ultra-clean graphene quantum dots produced by quasi-equilibrium plasma-enhanced chemical vapor deposition.

    PubMed

    Liu, Donghua; Chen, Xiaosong; Hu, Yibin; Sun, Tai; Song, Zhibo; Zheng, Yujie; Cao, Yongbin; Cai, Zhi; Cao, Min; Peng, Lan; Huang, Yuli; Du, Lei; Yang, Wuli; Chen, Gang; Wei, Dapeng; Wee, Andrew Thye Shen; Wei, Dacheng

    2018-01-15

    Graphene is regarded as a potential surface-enhanced Raman spectroscopy (SERS) substrate. However, the application of graphene quantum dots (GQDs) has had limited success due to material quality. Here, we develop a quasi-equilibrium plasma-enhanced chemical vapor deposition method to produce high-quality ultra-clean GQDs with sizes down to 2 nm directly on SiO 2 /Si, which are used as SERS substrates. The enhancement factor, which depends on the GQD size, is higher than conventional graphene sheets with sensitivity down to 1 × 10 -9  mol L -1 rhodamine. This is attributed to the high-quality GQDs with atomically clean surfaces and large number of edges, as well as the enhanced charge transfer between molecules and GQDs with appropriate diameters due to the existence of Van Hove singularities in the electronic density of states. This work demonstrates a sensitive SERS substrate, and is valuable for applications of GQDs in graphene-based photonics and optoelectronics.

  9. Effect of pressure on the tetragonal distortion in TiH2: a first-principles study

    NASA Astrophysics Data System (ADS)

    de Coss, R.; Quijano, R.; Singh, D. J.

    2009-03-01

    The transition metal dihydride TiH2 present the fluorite structure (CaF2) at high temperature but undergoes a tetragonal distortion with c/a<1 at low temperature. Early electronic band structure calculations have shown that TiH2 in the cubic phase display a nearly flat double degenerated band at the Fermi level. Thus the low temperature tetragonal distortion has been associated to a Jahn-Teller effect. Nevertheless, recently we have show that the instability of fcc-TiH2 is likely to be related with a van Hove singularity. In the present work, we have performed ab-initio calculations of the electronic structure and the tetragonal distortion for TiH2 under pressure (0-30 GPa). We found that the fcc-fct energy barrier and the tetragonal distortion increases with pressure. The evolution of the tetragonal distortion is analyzed in terms of the electronic band structure. This research was supported by Consejo Nacional de Ciencia y Tecnolog'ia (Conacyt) under Grant No. 49985.

  10. Spin-Flavor van der Waals Forces and NN interaction

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Alvaro Calle Cordon, Enrique Ruiz Arriola

    A major goal in Nuclear Physics is the derivation of the Nucleon-Nucleon (NN) interaction from Quantum Chromodynamics (QCD). In QCD the fundamental degrees of freedom are colored quarks and gluons which are confined to form colorless strongly interacting hadrons. Because of this the resulting nuclear forces at sufficiently large distances correspond to spin-flavor excitations, very much like the dipole excitations generating the van der Waals (vdW) forces acting between atoms. We study the Nucleon-Nucleon interaction in the Born-Oppenheimer approximation at second order in perturbation theory including the Delta resonance as an intermediate state. The potential resembles strongly chiral potentials computedmore » either via soliton models or chiral perturbation theory and has a van der Waals like singularity at short distances which is handled by means of renormalization techniques. Results for the deuteron are discussed.« less

  11. IVAN: Intelligent Van for the Distribution of Pharmaceutical Drugs

    PubMed Central

    Moreno, Asier; Angulo, Ignacio; Perallos, Asier; Landaluce, Hugo; Zuazola, Ignacio Julio García; Azpilicueta, Leire; Astrain, José Javier; Falcone, Francisco; Villadangos, Jesús

    2012-01-01

    This paper describes a telematic system based on an intelligent van which is capable of tracing pharmaceutical drugs over delivery routes from a warehouse to pharmacies, without altering carriers' daily conventional tasks. The intelligent van understands its environment, taking into account its location, the assets and the predefined delivery route; with the capability of reporting incidences to carriers in case of failure according to the established distribution plan. It is a non-intrusive solution which represents a successful experience of using smart environments and an optimized Radio Frequency Identification (RFID) embedded system in a viable way to resolve a real industrial need in the pharmaceutical industry. The combination of deterministic modeling of the indoor vehicle, the implementation of an ad-hoc radiating element and an agile software platform within an overall system architecture leads to a competitive, flexible and scalable solution. PMID:22778659

  12. The Educational Thought of Cornelius Van Til: Philosophical Foundations of the Contemporary Christian School Movement.

    ERIC Educational Resources Information Center

    Maffet, Gregory J.; Dye, Charles M.

    This paper gives an account of the thoughts of Cornelius Van Til on the contemporary Christian school movement. An account of the historical development of Christian compromise is given, followed by a critique of the compromise among contemporary Christian educators. Van Til claims that any educational position which falls short of being founded…

  13. Unconscious Odour Conditioning 25 Years Later: Revisiting and Extending "Kirk-Smith, Van Toller and Dodd"

    ERIC Educational Resources Information Center

    Zucco, Gesualdo M.; Paolini, Michela; Schaal, Benoist

    2009-01-01

    The pioneering work by Kirk-Smith, Van Toller, and Dodd [Kirk-Smith, M. D., Van Toller, C., & Dodd, G. H. (1983). "Unconscious odour conditioning in human subjects." "Biological Psychology," 17, 221-231], established that an unnoticed odorant paired with an emotionally meaningful task can influence mood and attitudes when the odorant alone is…

  14. A high-pressure van der Waals compound in solid nitrogen-helium mixtures

    NASA Technical Reports Server (NTRS)

    Vos, W. L.; Finger, L. W.; Hemley, R. J.; Hu, J. Z.; Mao, H. K.; Schouten, J. A.

    1992-01-01

    A detailed diamond anvil-cell study using synchrotron X-ray diffraction, Raman scattering, and optical microscopy has been conducted for the He-N system, with a view to the weakly-bound van der Waals molecule interactions that can be formed in the gas phase. High pressure is found to stabilize the formation of a stoichiometric, solid van der Waals compound of He(N2)11 composition which may exemplify a novel class of compounds found at high pressures in the interiors of the outer planets and their satellites.

  15. VIEW NORTH, SHOWING SOUTH END OF BRIDGE LOOKING TOWARD VAN ...

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

    VIEW NORTH, SHOWING SOUTH END OF BRIDGE LOOKING TOWARD VAN BUREN TOWNSHIP - Belleville Road Bridge, Spanning the Flat River at Burroughs Drive (replaced Burroughs Street Bridge), Lowell, Kent County, MI

  16. Learning Styles versus the Rip Van Winkle Syndrome.

    ERIC Educational Resources Information Center

    Orsak, Lana

    1990-01-01

    Rip Van Winkle would not recognize Corsicana (Texas) High School since its curriculum coordinator began implementing learning styles techniques in various pilot programs. Lecturing to rows of bored students has been replaced by students' active involvement in group activities, listening centers, and tactile/kinesthetic exercises on the floor or at…

  17. A 600,000 year long continental pollen record from Lake Van, eastern Turkey

    NASA Astrophysics Data System (ADS)

    Litt, T.; Pickarski, N.; Heumann, G.

    2014-12-01

    Lake Van is the fourth largest terminal lake in the world (38.5°N, 43 °E, volume 607 km3, area 3570 km2, maximum water depth 460 m), extending for 130 km WSW-ENE on the Eastern Anatolian High Plateau, Turkey. The sedimentary record of Lake Van, partly laminated, obtains a long and continuous continental sequence that covers multiple interglacial-glacial cycles. Promoted by the potential of the sedimentary sequence for reconstructing the paleoecological and paleoclimate development of the Near East, a deep drilling operation was carried out in 2010 supported by the International Continental Scientific Drilling Program (ICDP). The 119 m long continental record is based on a well-dated composite profile drilled on the so-called Ahlat Ridge in water depth of 360 m encompassing the last 600,000 years. It contains the longest continuous continental pollen record of the Quaternary in the entire Near East and central Asia obtained to date. It documents glacial and interglacial stages as well as pronounced interstadials encompassing the entire 600 ka of the sedimentary record. The cold-adapted vegetation in the Lake Van region during glacial stages and stadial substages can be described as dwarf-shrub steppe and desert steppe very similar to each other. The climax vegetation of the interglacial stages in the Lake Van region is characterized by an oak steppe-forest with pistachio and juniper. It is interesting to note that, in contrast to the atmospheric CO2 concentration from Antarctic ice cores or marine isotope values based on benthic foraminifera, there is no clear subdivision in the Lake Van pollen record between low-amplitude interglacials (cooler cycles) prior the mid-Brunhes event (MBE) at 430 ka and high-amplitude, post MBE interglacials. Lower CO2 concentrations in the atmosphere might be compensated by stronger insolation forcing during Marine Isotope Stages (MIS) 13a and 15a. A similar pattern can be observed during the triplicate interglacial complex MIS 7

  18. Dispersion of the Vancomycin Resistance Genes vanA and vanC of Enterococcus Isolated from Nile Tilapia on Retail Sale: A Public Health Hazard.

    PubMed

    Osman, Kamelia M; Ali, Mohamed N; Radwan, Ismail; ElHofy, Fatma; Abed, Ahmed H; Orabi, Ahmed; Fawzy, Nehal M

    2016-01-01

    Although normally regarded harmless commensals, enterococci may cause a range of different infections in humans, including urinary tract infections, sepsis, and endocarditis. The acquisition of vancomycin resistance by enterococci (VRE) has seriously affected the treatment and infection control of these organisms. VRE are frequently resistant to all antibiotics that are effective treatment for vancomycin-susceptible enterococci, which leaves clinicians treating VRE infections with limited therapeutic options. With VRE emerging as a global threat to public health, we aimed to isolate, identify enterococci species from tilapia and their resistance to van-mediated glycopeptide (vanA and vanC) as well as the presence of enterococcal surface protein (esp) using conventional and molecular methods. The cultural, biochemical (Vitek 2 system) and polymerase chain reaction results revealed eight Enterococcus isolates from the 80 fish samples (10%) to be further identified as E. faecalis (6/8, 75%) and E gallinarum (2/8, 25%). Intraperitoneal injection of healthy Nile tilapia with the eight Enterococcus isolates caused significant morbidity (70%) within 3 days and 100% mortality at 6 days post-injection with general signs of septicemia. All of the eight Enterococcus isolates were found to be resistant to tetracycline. The 6/6 E. faecalis isolates were susceptible for penicillin, nitrofurantoin, gentamicin, and streptomycin. On the other hand 5/6 were susceptible for ampicillin, vancomycin, chloramphenicol, and ciprofloxacin. The two isolates of E. gallinarum were sensitive to rifampicin and ciprofloxacin and resistant to vancomycin, chloramphenicol, and erythromycin. Molecular characterization proved that they all presented the prototypic vanC element. On the whole, one of the two vancomycin resistance gene was present in 3/8 of the enterococci isolates, while the esp virulence gene was present in 1/8 of the enterococci isolates. The results in this study emphasize the

  19. Serine and alanine racemase activities of VanT: a protein necessary for vancomycin resistance in Enterococcus gallinarum BM4174.

    PubMed

    Arias, C A; Weisner, J; Blackburn, J M; Reynolds, P E

    2000-07-01

    Vancomycin resistance in Enterococcus gallinarum results from the production of UDP-MurNAc-pentapeptide[D-Ser]. VanT, a membrane-bound serine racemase, is one of three proteins essential for this resistance. To investigate the selectivity of racemization of L-Ser or L-Ala by VanT, a strain of Escherichia coli TKL-10 that requires D-Ala for growth at 42 degrees C was used as host for transformation experiments using plasmids containing the full-length vanT from Ent. gallinarum or the alanine racemase gene (alr) of Bacillus stearothermophilus: both plasmids were able to complement E. coli TKL-10 at 42 degrees C. No alanine or serine racemase activities were detected in the host strain E. coli TKL-10 grown at 30, 34 or 37 degrees C. Serine and alanine racemase activities were found almost exclusively (96%) in the membrane fraction of E. coli TKL-10/pCA4(vanT): the alanine racemase activity of VanT was 14% of the serine racemase activity in both E. coli TKL-10/pCA4(vanT) and E. coli XL-1 Blue/pCA4(vanT). Alanine racemase activity was present mainly (95%) in the cytoplasmic fraction of E. coli TKL-10/pJW40(alr), with a trace (1.6%) of serine racemase activity. Additionally, DNA encoding the soluble domain of VanT was cloned and expressed in E. coli M15 as a His-tagged polypeptide and purified: this polypeptide also exhibited both serine and alanine racemase activities; the latter was approximately 18% of the serine racemase activity, similar to that of the full-length, membrane-bound enzyme. N-terminal sequencing of the purified His-tagged polypeptide revealed a single amino acid sequence, indicating that the formation of heterodimers between subunits of His-tagged C-VanT and endogenous alanine racemases from E. coli was unlikely. The authors conclude that the membrane-bound serine racemase VanT also has alanine racemase activity but is able to racemize serine more efficiently than alanine, and that the cytoplasmic domain is responsible for the racemase activity.

  20. Martin Van Buren National Historic Site alternative transportation feasibility study.

    DOT National Transportation Integrated Search

    2012-05-31

    The Martin Van Buren National Historic Site (MVBNHS) Alternative Transportation Feasibility Study examines the feasibility of : alternative transportation system (ATS) service to MVBNHS. The report investigates opportunities for a shuttle carrying vi...

  1. Accurate van der Waals force field for gas adsorption in porous materials.

    PubMed

    Sun, Lei; Yang, Li; Zhang, Ya-Dong; Shi, Qi; Lu, Rui-Feng; Deng, Wei-Qiao

    2017-09-05

    An accurate van der Waals force field (VDW FF) was derived from highly precise quantum mechanical (QM) calculations. Small molecular clusters were used to explore van der Waals interactions between gas molecules and porous materials. The parameters of the accurate van der Waals force field were determined by QM calculations. To validate the force field, the prediction results from the VDW FF were compared with standard FFs, such as UFF, Dreiding, Pcff, and Compass. The results from the VDW FF were in excellent agreement with the experimental measurements. This force field can be applied to the prediction of the gas density (H 2 , CO 2 , C 2 H 4 , CH 4 , N 2 , O 2 ) and adsorption performance inside porous materials, such as covalent organic frameworks (COFs), zeolites and metal organic frameworks (MOFs), consisting of H, B, N, C, O, S, Si, Al, Zn, Mg, Ni, and Co. This work provides a solid basis for studying gas adsorption in porous materials. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  2. Letters from a suicide: Van Gogh and his sister.

    PubMed

    Lester, David

    2010-04-01

    An analysis of trends over a 3-yr. period in the letters of Vincent Van Gogh to his sister as the time of his suicide approached identified 8 trends, including an increase in words concerned with anxiety and words concerned with the past.

  3. Charge transport through one-dimensional Moiré crystals

    PubMed Central

    Bonnet, Roméo; Lherbier, Aurélien; Barraud, Clément; Rocca, Maria Luisa Della; Lafarge, Philippe; Charlier, Jean-Christophe

    2016-01-01

    Moiré superlattices were generated in two-dimensional (2D) van der Waals heterostructures and have revealed intriguing electronic structures. The appearance of mini-Dirac cones within the conduction and valence bands of graphene is one of the most striking among the new quantum features. A Moiré superstructure emerges when at least two periodic sub-structures superimpose. 2D Moiré patterns have been particularly investigated in stacked hexagonal 2D atomic lattices like twisted graphene layers and graphene deposited on hexagonal boron-nitride. In this letter, we report both experimentally and theoretically evidence of superlattices physics in transport properties of one-dimensional (1D) Moiré crystals. Rolling-up few layers of graphene to form a multiwall carbon nanotube adds boundaries conditions that can be translated into interference fringes-like Moiré patterns along the circumference of the cylinder. Such a 1D Moiré crystal exhibits a complex 1D multiple bands structure with clear and robust interband quantum transitions due to the presence of mini-Dirac points and pseudo-gaps. Our devices consist in a very large diameter (>80 nm) multiwall carbon nanotubes of high quality, electrically connected by metallic electrodes acting as charge reservoirs. Conductance measurements reveal the presence of van Hove singularities assigned to 1D Moiré superlattice effect and illustrated by electronic structure calculations. PMID:26786067

  4. Kwalificate/Classificatie van Explosieve Stoffen en Munitie. Rapport 2. Testontwikkeling (Qualification/Classification Explosive Materials and Munition. 2. Test Development)

    DTIC Science & Technology

    1992-11-01

    beschermkap van het apparaat af te halen , waardoor bij een eventuele ontsteking het energetisch materiaal (al dan niet brandend) weg kan springen. Tevens...TNO-DefensieonderzoekPr TN TNO-rapport Kwalificatielclassificatie van explosieve stoffen ~ PML 1992-68 en munitief Rapport ]I: Testontwikkeling...rapport Kwalificatielclassificatie van explosieve stoffen PML 1992-68 en munitie Rapport f1: Testontwikkeling november 1992 ~~- ExorrIaar no:- 1ýMI

  5. 11. Historic American Buildings Survey Cortlandt Van Dyke Hubbard, Photographer ...

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

    11. Historic American Buildings Survey Cortlandt Van Dyke Hubbard, Photographer October 1959 INTERIOR DETAIL OF FRAME CONSTRUCTION - White Meadow Farm, State Roads 290 & 262 (moved to Lewes, DE), Cool Spring, Sussex County, DE

  6. Van der Waals corrected DFT study of adsorption of groups VA and VIA hydrides on graphene monoxide

    NASA Astrophysics Data System (ADS)

    Notash, M. Yaghoobi; Ebrahimzadeh, A. Rastkar

    2016-06-01

    Adsorption properties of H2O, H2S, NH3 and PH3 on graphene monoxide (GMO) nano flack are investigated using density functional theory (DFT). Calculations were carried out by van der Waals correction and general gradient approximation. The adsorption energies and charge transfer between species are obtained and discussed for the considered positions of adsorbate molecules. Charge transfer analysis show that the gas molecules act as an electron acceptor in all cases. The analysis of the adsorption energies suggest GMO can be a good candidate for the adsorption of these molecules.

  7. Thermal Density Functional Theory: Time-Dependent Linear Response and Approximate Functionals from the Fluctuation-Dissipation Theorem

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Pribram-Jones, Aurora; Grabowski, Paul E.; Burke, Kieron

    We present that the van Leeuwen proof of linear-response time-dependent density functional theory (TDDFT) is generalized to thermal ensembles. This allows generalization to finite temperatures of the Gross-Kohn relation, the exchange-correlation kernel of TDDFT, and fluctuation dissipation theorem for DFT. Finally, this produces a natural method for generating new thermal exchange-correlation approximations.

  8. Thermal Density Functional Theory: Time-Dependent Linear Response and Approximate Functionals from the Fluctuation-Dissipation Theorem

    DOE PAGES

    Pribram-Jones, Aurora; Grabowski, Paul E.; Burke, Kieron

    2016-06-08

    We present that the van Leeuwen proof of linear-response time-dependent density functional theory (TDDFT) is generalized to thermal ensembles. This allows generalization to finite temperatures of the Gross-Kohn relation, the exchange-correlation kernel of TDDFT, and fluctuation dissipation theorem for DFT. Finally, this produces a natural method for generating new thermal exchange-correlation approximations.

  9. James Van Allen and His Namesake NASA Mission

    NASA Astrophysics Data System (ADS)

    Baker, D. N.; Hoxie, V. C.; Jaynes, A.; Kale, A.; Kanekal, S. G.; Li, X.; Reeves, G. D.; Spence, H. E.

    2013-12-01

    In many ways, James A. Van Allen defined and "invented" modern space research. His example showed the way for government-university partners to pursue basic research that also served important national and international goals. He was a tireless advocate for space exploration and for the role of space science in the spectrum of national priorities.

  10. Dynamics of three coupled van der Pol oscillators with application to circadian rhythms

    NASA Astrophysics Data System (ADS)

    Rompala, Kevin; Rand, Richard; Howland, Howard

    2007-08-01

    In this work we study a system of three van der Pol oscillators. Two of the oscillators are identical, and are not directly coupled to each other, but rather are coupled via the third oscillator. We investigate the existence of the in-phase mode in which the two identical oscillators have the same behavior. To this end we use the two variable expansion perturbation method (also known as multiple scales) to obtain a slow flow, which we then analyze using the computer algebra system MACSYMA and the numerical bifurcation software AUTO. Our motivation for studying this system comes from the presence of circadian rhythms in the chemistry of the eyes. We model the circadian oscillator in each eye as a van der Pol oscillator. Although there is no direct connection between the two eyes, they are both connected to the brain, especially to the pineal gland, which is here represented by a third van der Pol oscillator.

  11. Leon Van Speybroeck Wins Astrophysics Bruno Rossi Prize

    NASA Technical Reports Server (NTRS)

    2002-01-01

    Leon Van Speybroeck of the Harvard-Smithsonian Center for Astrophysics in Cambridge Massachusetts was awarded the 2002 Bruno Rossi Prize of the High-Energy Astrophysics Division of the American Astronomy Society. The Rossi Prize is an arnual recognition of significant contributions in high-energy astrophysics in honor of the Massachusetts Institute of Technology's late Professor Bruno Rossi, an authority on cosmic ray physics and a pioneer in the field of x-ray astronomy. Van Speybroeck, who led the effort to design and make the x-ray mirrors for NASA's premier Chandra X-Ray Observatory, was recognized for a career of stellar achievements in designing precision x-ray optics. As Telescope Scientist for Chandra, he has worked for more than 20 years with a team that includes scientists and engineers from the Harvard-Smithsonian, NASA's Marshall Space Flight Center, TRW, Inc., Huhes-Danbury (now B.F. Goodrich Aerospace), Optical Coating Laboratories, Inc., and Eastman-Kodak on all aspects of the x-ray mirror assembly that is the heart of the observatory.

  12. Implementation of Two-Component Time-Dependent Density Functional Theory in TURBOMOLE.

    PubMed

    Kühn, Michael; Weigend, Florian

    2013-12-10

    We report the efficient implementation of a two-component time-dependent density functional theory proposed by Wang et al. (Wang, F.; Ziegler, T.; van Lenthe, E.; van Gisbergen, S.; Baerends, E. J. J. Chem. Phys. 2005, 122, 204103) that accounts for spin-orbit effects on excitations of closed-shell systems by employing a noncollinear exchange-correlation kernel. In contrast to the aforementioned implementation, our method is based on two-component effective core potentials as well as Gaussian-type basis functions. It is implemented in the TURBOMOLE program suite for functionals of the local density approximation and the generalized gradient approximation. Accuracy is assessed by comparison of two-component vertical excitation energies of heavy atoms and ions (Cd, Hg, Au(+)) and small molecules (I2, TlH) to other two- and four-component approaches. Efficiency is demonstrated by calculating the electronic spectrum of Au20.

  13. Alternative Fuels Data Center: Propane Vans Keep Kansas City Transportation

    Science.gov Websites

    anxiety. More recently, the company has been exploring dedicated-propane vehicles in Kansas City to ensure technologies and petroleum-use reduction strategies, then deployed bi-fuel vans; currently exploring dedicated

  14. A discussion of the socio-economic losses and shelter impacts from the Van, Turkey Earthquakes of October and November 2011

    NASA Astrophysics Data System (ADS)

    Daniell, J. E.; Khazai, B.; Wenzel, F.; Kunz-Plapp, T.; Vervaeck, A.; Muehr, B.; Markus, M.

    2012-04-01

    The Van earthquake in 2011 hit at 10:41 GMT (13:41 Local) on Sunday, October 23rd, 2011. It was a Mw7.1-7.3 event located at a depth of around 10 km with the epicentre located directly between Ercis (pop. 75,000) and Van (pop. 370,000). Since then, the CEDIM Forensic Analysis Group (using a team of seismologists, engineers, sociologists and meteorologists) and www.earthquake-report.com has reported and analysed on the Van event. In addition, many damaging aftershocks occurring after the main eventwere analysed including a major aftershock centered in Van-Edremit on November 9th, 2011, causing much additional losses. The province of Van has around 1.035 million people as of the last census. The Van province is one of the poorest in Turkey and has much inequality between the rural and urban centers with an average HDI (Human Development Index) around that of Bhutan or Congo. The earthquakes are estimated to have caused 604 deaths (23 October) and 40 deaths (9 November); mostly due to falling debris and house collapse). In addition, between 1 billion TRY to 4 billion TRY (approx. 555 million USD - 2.2 billion USD) is estimated as total economic losses. This represents around 17 to 66% of the provincial GDP of the Van Province (approx. 3.3 billion USD) as of 2011. From the CATDAT Damaging Earthquakes Database, major earthquakes such as this one have occurred in the year 1111 causing major damage and having a magnitude around 6.5-7. In the year 1646 or 1648, Van was again struck by a M6.7 quake killing around 2000 people. In 1881, a M6.3 earthquake near Van killed 95 people. Again, in 1941, a M5.9 earthquake affected Ercis and Van killing between 190 and 430 people. 1945-1946 as well as 1972 brought again damaging and casualty-bearing earthquakes to the Van province. In 1976, the Van-Muradiye earthquake struck the border region with a M7, killing around 3840 people and causing around 51,000 people to become homeless. Key immediate lessons from similar historic

  15. Evaluation of BBL CHROMagar VanRE for detection of vancomycin-resistant Enterococci in rectal swab specimens.

    PubMed

    Stamper, Paul D; Shulder, Stephanie; Bekalo, Pearl; Manandhar, Deepika; Ross, Tracy L; Speser, Sharon; Kingery, Julie; Carroll, Karen C

    2010-11-01

    A study was performed on 517 surveillance rectal swabs to evaluate a selective and differential chromogenic medium, the BBL CHROMagar VanRE (CVRE), which enables recovery and identification of VanA- and VanB-containing Enterococcus faecium (ENFM) and Enterococcus faecalis (ENFS) isolates. Compared to BBL Enterococcosel agar, a bile-esculin-azide-vancomycin (BEAV) agar, the initial overall sensitivity, specificity, and positive and negative predictive values of CVRE for the detection of vancomycin-resistant ENFM and ENFS were 99.1% and 94.8% and 84.2% and 99.7%, respectively. Among our patient population, more vancomycin-resistant enterococci (VRE) were recovered with CVRE than BEAV.

  16. Evaluation of BBL CHROMagar VanRE for Detection of Vancomycin-Resistant Enterococci in Rectal Swab Specimens▿

    PubMed Central

    Stamper, Paul D.; Shulder, Stephanie; Bekalo, Pearl; Manandhar, Deepika; Ross, Tracy L.; Speser, Sharon; Kingery, Julie; Carroll, Karen C.

    2010-01-01

    A study was performed on 517 surveillance rectal swabs to evaluate a selective and differential chromogenic medium, the BBL CHROMagar VanRE (CVRE), which enables recovery and identification of VanA- and VanB-containing Enterococcus faecium (ENFM) and Enterococcus faecalis (ENFS) isolates. Compared to BBL Enterococcosel agar, a bile-esculin-azide-vancomycin (BEAV) agar, the initial overall sensitivity, specificity, and positive and negative predictive values of CVRE for the detection of vancomycin-resistant ENFM and ENFS were 99.1% and 94.8% and 84.2% and 99.7%, respectively. Among our patient population, more vancomycin-resistant enterococci (VRE) were recovered with CVRE than BEAV. PMID:20739492

  17. Probing low-energy hyperbolic polaritons in van der Waals crystals with an electron microscope.

    PubMed

    Govyadinov, Alexander A; Konečná, Andrea; Chuvilin, Andrey; Vélez, Saül; Dolado, Irene; Nikitin, Alexey Y; Lopatin, Sergei; Casanova, Fèlix; Hueso, Luis E; Aizpurua, Javier; Hillenbrand, Rainer

    2017-07-21

    Van der Waals materials exhibit intriguing structural, electronic, and photonic properties. Electron energy loss spectroscopy within scanning transmission electron microscopy allows for nanoscale mapping of such properties. However, its detection is typically limited to energy losses in the eV range-too large for probing low-energy excitations such as phonons or mid-infrared plasmons. Here, we adapt a conventional instrument to probe energy loss down to 100 meV, and map phononic states in hexagonal boron nitride, a representative van der Waals material. The boron nitride spectra depend on the flake thickness and on the distance of the electron beam to the flake edges. To explain these observations, we developed a classical response theory that describes the interaction of fast electrons with (anisotropic) van der Waals slabs, revealing that the electron energy loss is dominated by excitation of hyperbolic phonon polaritons, and not of bulk phonons as often reported. Thus, our work is of fundamental importance for interpreting future low-energy loss spectra of van der Waals materials.Here the authors adapt a STEM-EELS system to probe energy loss down to 100 meV, and apply it to map phononic states in hexagonal boron nitride, revealing that the electron loss is dominated by hyperbolic phonon polaritons.

  18. van der Waals interactions between nanostructures: Some analytic results from series expansions

    NASA Astrophysics Data System (ADS)

    Stedman, T.; Drosdoff, D.; Woods, L. M.

    2014-01-01

    The van der Waals force between objects of nontrivial geometries is considered. A technique based on a perturbation series approach is formulated in the dilute limit. We show that the dielectric response and object size can be decoupled and dominant contributions in terms of object separations can be obtained. This is a powerful method, which enables straightforward calculations of the interaction for different geometries. Our results for planar structures, such as thin sheets, infinitely long ribbons, and ribbons with finite dimensions, may be applicable for nanostructured devices where the van der Waals interaction plays an important role.

  19. Photovoltaic Effect in an Electrically Tunable van der Waals Heterojunction

    PubMed Central

    2014-01-01

    Semiconductor heterostructures form the cornerstone of many electronic and optoelectronic devices and are traditionally fabricated using epitaxial growth techniques. More recently, heterostructures have also been obtained by vertical stacking of two-dimensional crystals, such as graphene and related two-dimensional materials. These layered designer materials are held together by van der Waals forces and contain atomically sharp interfaces. Here, we report on a type-II van der Waals heterojunction made of molybdenum disulfide and tungsten diselenide monolayers. The junction is electrically tunable, and under appropriate gate bias an atomically thin diode is realized. Upon optical illumination, charge transfer occurs across the planar interface and the device exhibits a photovoltaic effect. Advances in large-scale production of two-dimensional crystals could thus lead to a new photovoltaic solar technology. PMID:25057817

  20. Direction-specific van der Waals attraction between rutile TiO2 nanocrystals.

    PubMed

    Zhang, Xin; He, Yang; Sushko, Maria L; Liu, Jia; Luo, Langli; De Yoreo, James J; Mao, Scott X; Wang, Chongmin; Rosso, Kevin M

    2017-04-28

    Mutual lattice orientations dictate the types and magnitudes of forces between crystalline particles. When lattice polarizability is anisotropic, the van der Waals dispersion attraction can, in principle, contribute to this direction dependence. We report measurement of this attraction between rutile nanocrystals, as a function of their mutual orientation and surface hydration extent. At tens of nanometers of separation, the attraction is weak and shows no dependence on azimuthal alignment or surface hydration. At separations of approximately one hydration layer, the attraction is strongly dependent on azimuthal alignment and systematically decreases as intervening water density increases. Measured forces closely agree with predictions from Lifshitz theory and show that dispersion forces can generate a torque between particles interacting in solution and between grains in materials. Copyright © 2017, American Association for the Advancement of Science.

  1. Generalized Case ``Van Kampen theory for electromagnetic oscillations in a magnetized plasma

    NASA Astrophysics Data System (ADS)

    Bairaktaris, F.; Hizanidis, K.; Ram, A. K.

    2017-10-01

    The Case-Van Kampen theory is set up to describe electrostatic oscillations in an unmagnetized plasma. Our generalization to electromagnetic oscillations in magnetized plasma is formulated in the relativistic position-momentum phase space of the particles. The relativistic Vlasov equation includes the ambient, homogeneous, magnetic field, and space-time dependent electromagnetic fields that satisfy Maxwell's equations. The standard linearization technique leads to an equation for the perturbed distribution function in terms of the electromagnetic fields. The eigenvalues and eigenfunctions are obtained from three integrals `` each integral being over two different components of the momentum vector. Results connecting phase velocity, frequency, and wave vector will be presented. Supported in part by the Hellenic National Programme on Controlled Thermonuclear Fusion associated with the EUROfusion Consortium, and by DoE Grant DE-FG02-91ER-54109.

  2. Direction-specific van der Waals attraction between rutile TiO 2 nanocrystals

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Zhang, Xin; He, Yang; Sushko, Maria L.

    Mutual lattice orientations dictate the types and magnitudes of forces between crystalline particles. When lattice polarizability is anisotropic, the van der Waals dispersion attraction can, in principle, contribute to this direction dependence. Here we report direct measurement of this attraction between rutile nanocrystals, as a function of their mutual orientation and surface hydration extent. At tens of nanometers of separation the attraction is weak and shows no dependence on azimuthal alignment nor surface hydration. At separations of approximately one hydration layer the attraction is strongly dependent on azimuthal alignment, and systematically decreases as intervening water density increases. Measured forces aremore » in close agreement with predictions from Lifshitz theory, and show that dispersion forces are capable of generating a torque between particles interacting in solution and between grains in materials.« less

  3. Emergence of vancomycin resistance in the genus Streptococcus: characterization of a vanB transferable determinant in Streptococcus bovis.

    PubMed Central

    Poyart, C; Pierre, C; Quesne, G; Pron, B; Berche, P; Trieu-Cuot, P

    1997-01-01

    Streptococcus bovis NEM760 was isolated from a stool swab collected on admission from a patient as surveillance for vancomycin-resistant enterococci. Strain NEM760 was identified as S. bovis by conventional biochemical methods and partial sequence analysis of its 16S rRNA. This strain was resistant to a low level of vancomycin (MIC, 64 micrograms/ml) but was susceptible to teicoplanin (MIC, 1 micrograms/ml), and vancomycin induced resistance to both glycopeptides. The presence of a vanB-related gene in NEM760 was demonstrated in a PCR assay which enabled specific amplification of a 635-hp internal segment of vanB. Sequence analysis of the corresponding PCR product revealed that it was highly homologous (96% identity) to the prototype vanB sequence of Enterococcus faecalis V583. The VanB resistance of determinant of S. bovis NEM760 was transferred by conjugation to E. faecalis and Enterococcus faecium at a similar frequency of 2 x 10(-5) per donor. SmaI-digested genomic DNAs of independently obtained transconjugants of E. faecalis and E. faecium were analyzed by pulsed-field gel electrophoresis and Southern hybridization with a vanB DNA probe. The electrophoretic and hybridization patterns obtained with all transconjugants of the same species were indistinguishable and revealed vanB-containing chromosomal insertions of approximately 100 kb. These results suggest that the genes mediating VanB-type resistance in S. bovis NEM760 are part of large transferable genetic elements. The results presented in the report demonstrate for the first time the role of streptococci in the dissemination of vancomycin resistance among gram-positive bacteria. PMID:8980749

  4. Light scattering, aerosols, clouds, climate, Hendrik van de Hulst, and I

    NASA Astrophysics Data System (ADS)

    Chylek, Petr

    2018-02-01

    It is not often that I have the opportunity to write something that is not a scientific paper, and I am thankful for this opportunity to express my thoughts with regard to pursuits that are greater than those of science. In this van de Hulst essay, to honor Hendrik van de Hulst, I briefly summarize a few points from Hendrik's life that I find especially interesting, including his interests in spiritual (or religious) aspects of life, and his decision to avoid involvement in nucleation problems, a critical and basic uncertainty of current climate models. After that, I present briefly a few episodes from my own experiences as an apprentice of science and life.

  5. Resonance Raman Spectroscopy of Extreme Nanowires and Other 1D Systems

    PubMed Central

    Smith, David C.; Spencer, Joseph H.; Sloan, Jeremy; McDonnell, Liam P.; Trewhitt, Harrison; Kashtiban, Reza J.; Faulques, Eric

    2016-01-01

    This paper briefly describes how nanowires with diameters corresponding to 1 to 5 atoms can be produced by melting a range of inorganic solids in the presence of carbon nanotubes. These nanowires are extreme in the sense that they are the limit of miniaturization of nanowires and their behavior is not always a simple extrapolation of the behavior of larger nanowires as their diameter decreases. The paper then describes the methods required to obtain Raman spectra from extreme nanowires and the fact that due to the van Hove singularities that 1D systems exhibit in their optical density of states, that determining the correct choice of photon excitation energy is critical. It describes the techniques required to determine the photon energy dependence of the resonances observed in Raman spectroscopy of 1D systems and in particular how to obtain measurements of Raman cross-sections with better than 8% noise and measure the variation in the resonance as a function of sample temperature. The paper describes the importance of ensuring that the Raman scattering is linearly proportional to the intensity of the laser excitation intensity. It also describes how to use the polarization dependence of the Raman scattering to separate Raman scattering of the encapsulated 1D systems from those of other extraneous components in any sample. PMID:27168195

  6. Unusual phonon density of states and response to superconducting transition in In-doped topological crystalline insulator Pb 0.5Sn 0.5Te

    DOE PAGES

    Ran, Keijing; Tranquada, John M.; Zhong, Ruidan; ...

    2018-06-30

    Here, we present inelastic neutron scattering results of phonons in (Pb 0.5Sn 0.5) 1–xIn xTe powders, with x = 0, and 0.3.The x = 0 sample is a topological crystalline insulator, and the x = 0 . 3 sample is a superconductor with a bulk superconducting transition temperature T c of 4.7 K. In both samples, we observe unexpected van Hove singularities in the phonon density of states at energies of 1– 2.5 meV, suggestive of local modes. On cooling the superconducting sample through T c, there is an enhancement of these features for energies below twice the superconducting-gap energy.more » We further note that the superconductivity in (Pb 0.5Sn 0.5) 1–xIn xTe occurs in samples with normal-state resistivities of order 10 mΩ cm, indicative of bad-metal behavior. Calculations based on density functional theory suggest that the superconductivity is easily explainable in terms of electron-phonon coupling; however, they completely miss the low-frequency modes and do not explain the large resistivity. While the bulk superconducting state of (Pb 0.5Sn 0.5) 0.7In 0.3Te appears to be driven by phonons, a proper understanding will require ideas beyond simple BCS theor« less

  7. Unusual phonon density of states and response to superconducting transition in In-doped topological crystalline insulator Pb 0.5Sn 0.5Te

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Ran, Keijing; Tranquada, John M.; Zhong, Ruidan

    Here, we present inelastic neutron scattering results of phonons in (Pb 0.5Sn 0.5) 1–xIn xTe powders, with x = 0, and 0.3.The x = 0 sample is a topological crystalline insulator, and the x = 0 . 3 sample is a superconductor with a bulk superconducting transition temperature T c of 4.7 K. In both samples, we observe unexpected van Hove singularities in the phonon density of states at energies of 1– 2.5 meV, suggestive of local modes. On cooling the superconducting sample through T c, there is an enhancement of these features for energies below twice the superconducting-gap energy.more » We further note that the superconductivity in (Pb 0.5Sn 0.5) 1–xIn xTe occurs in samples with normal-state resistivities of order 10 mΩ cm, indicative of bad-metal behavior. Calculations based on density functional theory suggest that the superconductivity is easily explainable in terms of electron-phonon coupling; however, they completely miss the low-frequency modes and do not explain the large resistivity. While the bulk superconducting state of (Pb 0.5Sn 0.5) 0.7In 0.3Te appears to be driven by phonons, a proper understanding will require ideas beyond simple BCS theor« less

  8. van der Waals torque and force between dielectrically anisotropic layered media.

    PubMed

    Lu, Bing-Sui; Podgornik, Rudolf

    2016-07-28

    We analyse van der Waals interactions between a pair of dielectrically anisotropic plane-layered media interacting across a dielectrically isotropic solvent medium. We develop a general formalism based on transfer matrices to investigate the van der Waals torque and force in the limit of weak birefringence and dielectric matching between the ordinary axes of the anisotropic layers and the solvent. We apply this formalism to study the following systems: (i) a pair of single anisotropic layers, (ii) a single anisotropic layer interacting with a multilayered slab consisting of alternating anisotropic and isotropic layers, and (iii) a pair of multilayered slabs each consisting of alternating anisotropic and isotropic layers, looking at the cases where the optic axes lie parallel and/or perpendicular to the plane of the layers. For the first case, the optic axes of the oppositely facing anisotropic layers of the two interacting slabs generally possess an angular mismatch, and within each multilayered slab the optic axes may either be the same or undergo constant angular increments across the anisotropic layers. In particular, we examine how the behaviors of the van der Waals torque and force can be "tuned" by adjusting the layer thicknesses, the relative angular increment within each slab, and the angular mismatch between the slabs.

  9. 8. Historic American Buildings Survey Cortlandt Van Dyke Hubbard, Photographer ...

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

    8. Historic American Buildings Survey Cortlandt Van Dyke Hubbard, Photographer October 1959 BRICK NOGGING AND ORIGINAL WEATHERBOARDING OF SOUTH ELEVATION - White Meadow Farm, State Roads 290 & 262 (moved to Lewes, DE), Cool Spring, Sussex County, DE

  10. Some new exact solitary wave solutions of the van der Waals model arising in nature

    NASA Astrophysics Data System (ADS)

    Bibi, Sadaf; Ahmed, Naveed; Khan, Umar; Mohyud-Din, Syed Tauseef

    2018-06-01

    This work proposes two well-known methods, namely, Exponential rational function method (ERFM) and Generalized Kudryashov method (GKM) to seek new exact solutions of the van der Waals normal form for the fluidized granular matter, linked with natural phenomena and industrial applications. New soliton solutions such as kink, periodic and solitary wave solutions are established coupled with 2D and 3D graphical patterns for clarity of physical features. Our comparison reveals that the said methods excel several existing methods. The worked-out solutions show that the suggested methods are simple and reliable as compared to many other approaches which tackle nonlinear equations stemming from applied sciences.

  11. Effective elastic properties of a van der Waals molecular monolayer at a metal surface

    NASA Astrophysics Data System (ADS)

    Sun, Dezheng; Kim, Dae-Ho; Le, Duy; Borck, Øyvind; Berland, Kristian; Kim, Kwangmoo; Lu, Wenhao; Zhu, Yeming; Luo, Miaomiao; Wyrick, Jonathan; Cheng, Zhihai; Einstein, T. L.; Rahman, Talat S.; Hyldgaard, Per; Bartels, Ludwig

    2010-11-01

    Adsorbing anthracene on a Cu(111) surface results in a wide range of complex and intriguing superstructures spanning a coverage range from 1 per 17 to 1 per 15 substrate atoms. In accompanying first-principles density-functional theory calculations we show the essential role of van der Waals interactions in estimating the variation in anthracene adsorption energy and height across the sample. We can thereby evaluate the compression of the anthracene film in terms of continuum elastic properties, which results in an effective Young’s modulus of 1.5 GPa and a Poisson ratio ≈0.1 . These values suggest interpretation of the molecular monolayer as a porous material—in marked congruence with our microscopic observations.

  12. Franckeite as a naturally occurring van der Waals heterostructure

    PubMed Central

    Molina-Mendoza, Aday J.; Giovanelli, Emerson; Paz, Wendel S.; Niño, Miguel Angel; Island, Joshua O.; Evangeli, Charalambos; Aballe, Lucía; Foerster, Michael; van der Zant, Herre S. J.; Rubio-Bollinger, Gabino; Agraït, Nicolás; Palacios, J. J.; Pérez, Emilio M.; Castellanos-Gomez, Andres

    2017-01-01

    The fabrication of van der Waals heterostructures, artificial materials assembled by individual stacking of 2D layers, is among the most promising directions in 2D materials research. Until now, the most widespread approach to stack 2D layers relies on deterministic placement methods, which are cumbersome and tend to suffer from poor control over the lattice orientations and the presence of unwanted interlayer adsorbates. Here, we present a different approach to fabricate ultrathin heterostructures by exfoliation of bulk franckeite which is a naturally occurring and air stable van der Waals heterostructure (composed of alternating SnS2-like and PbS-like layers stacked on top of each other). Presenting both an attractive narrow bandgap (<0.7 eV) and p-type doping, we find that the material can be exfoliated both mechanically and chemically down to few-layer thicknesses. We present extensive theoretical and experimental characterizations of the material's electronic properties and crystal structure, and explore applications for near-infrared photodetectors. PMID:28194037

  13. Cross-scale observations of the 2015 St. Patrick's day storm: THEMIS, Van Allen Probes, and TWINS

    DOE PAGES

    Goldstein, J.; Angelopoulos, V.; De Pascuale, S.; ...

    2016-12-10

    In this paper, we present cross-scale magnetospheric observations of the 17 March 2015 (St. Patrick's Day) storm, by Time History of Events and Macroscale Interactions during Substorms (THEMIS), Van Allen Probes (Radiation Belt Storm Probes), and Two Wide-angle Imaging Neutral-atom Spectrometers (TWINS), plus upstream ACE/Wind solar wind data. THEMIS crossed the bow shock or magnetopause 22 times and observed the magnetospheric compression that initiated the storm. Empirical models reproduce these boundary locations within 0.7 R E. Van Allen Probes crossed the plasmapause 13 times; test particle simulations reproduce these encounters within 0.5 R E. Before the storm, Van Allen Probesmore » measured quiet double-nose proton spectra in the region of corotating cold plasma. About 15 min after a 0605 UT dayside southward turning, Van Allen Probes captured the onset of inner magnetospheric convection, as a density decrease at the moving corotation-convection boundary (CCB) and a steep increase in ring current (RC) proton flux. During the first several hours of the storm, Van Allen Probes measured highly dynamic ion signatures (numerous injections and multiple spectral peaks). Sustained convection after ~1200 UT initiated a major buildup of the midnight-sector ring current (measured by RBSP A), with much weaker duskside fluxes (measured by RBSP B, THEMIS a and THEMIS d). A close conjunction of THEMIS d, RBSP A, and TWINS 1 at 1631 UT shows good three-way agreement in the shapes of two-peak spectra from the center of the partial RC. A midstorm injection, observed by Van Allen Probes and TWINS at 1740 UT, brought in fresh ions with lower average energies (leading to globally less energetic spectra in precipitating ions) but increased the total pressure. Finally, the cross-scale measurements of 17 March 2015 contain significant spatial, spectral, and temporal structure.« less

  14. Understanding the nanoscale local buckling behavior of vertically aligned MWCNT arrays with van der Waals interactions

    NASA Astrophysics Data System (ADS)

    Li, Yupeng; Kim, Hyung-Ick; Wei, Bingqing; Kang, Junmo; Choi, Jae-Boong; Nam, Jae-Do; Suhr, Jonghwan

    2015-08-01

    The local buckling behavior of vertically aligned carbon nanotubes (VACNTs) has been investigated and interpreted in the view of a collective nanotube response by taking van der Waals interactions into account. To the best of our knowledge, this is the first report on the case of collective VACNT behavior regarding van der Waals force among nanotubes as a lateral support effect during the buckling process. The local buckling propagation and development of VACNTs were experimentally observed and theoretically analyzed by employing finite element modeling with lateral support from van der Waals interactions among nanotubes. Both experimental and theoretical analyses show that VACNTs buckled in the bottom region with many short waves and almost identical wavelengths, indicating a high mode buckling. Furthermore, the propagation and development mechanism of buckling waves follow the wave damping effect.The local buckling behavior of vertically aligned carbon nanotubes (VACNTs) has been investigated and interpreted in the view of a collective nanotube response by taking van der Waals interactions into account. To the best of our knowledge, this is the first report on the case of collective VACNT behavior regarding van der Waals force among nanotubes as a lateral support effect during the buckling process. The local buckling propagation and development of VACNTs were experimentally observed and theoretically analyzed by employing finite element modeling with lateral support from van der Waals interactions among nanotubes. Both experimental and theoretical analyses show that VACNTs buckled in the bottom region with many short waves and almost identical wavelengths, indicating a high mode buckling. Furthermore, the propagation and development mechanism of buckling waves follow the wave damping effect. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr03581c

  15. Cross-scale observations of the 2015 St. Patrick's day storm: THEMIS, Van Allen Probes, and TWINS

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Goldstein, J.; Angelopoulos, V.; De Pascuale, S.

    In this paper, we present cross-scale magnetospheric observations of the 17 March 2015 (St. Patrick's Day) storm, by Time History of Events and Macroscale Interactions during Substorms (THEMIS), Van Allen Probes (Radiation Belt Storm Probes), and Two Wide-angle Imaging Neutral-atom Spectrometers (TWINS), plus upstream ACE/Wind solar wind data. THEMIS crossed the bow shock or magnetopause 22 times and observed the magnetospheric compression that initiated the storm. Empirical models reproduce these boundary locations within 0.7 R E. Van Allen Probes crossed the plasmapause 13 times; test particle simulations reproduce these encounters within 0.5 R E. Before the storm, Van Allen Probesmore » measured quiet double-nose proton spectra in the region of corotating cold plasma. About 15 min after a 0605 UT dayside southward turning, Van Allen Probes captured the onset of inner magnetospheric convection, as a density decrease at the moving corotation-convection boundary (CCB) and a steep increase in ring current (RC) proton flux. During the first several hours of the storm, Van Allen Probes measured highly dynamic ion signatures (numerous injections and multiple spectral peaks). Sustained convection after ~1200 UT initiated a major buildup of the midnight-sector ring current (measured by RBSP A), with much weaker duskside fluxes (measured by RBSP B, THEMIS a and THEMIS d). A close conjunction of THEMIS d, RBSP A, and TWINS 1 at 1631 UT shows good three-way agreement in the shapes of two-peak spectra from the center of the partial RC. A midstorm injection, observed by Van Allen Probes and TWINS at 1740 UT, brought in fresh ions with lower average energies (leading to globally less energetic spectra in precipitating ions) but increased the total pressure. Finally, the cross-scale measurements of 17 March 2015 contain significant spatial, spectral, and temporal structure.« less

  16. Top-Level Players' Visual Control of Interceptive Actions: Bootsma and Van Wieringen (1990) 20 Years Later

    ERIC Educational Resources Information Center

    Bootsma, Reinoud J.; Fernandez, Laure; Morice, Antoine H. P.; Montagne, Gilles

    2010-01-01

    Using a two-step approach, Van Soest et al. (2010) recently questioned the pertinence of the conclusions drawn by Bootsma and Van Wieringen (1990) with respect to the visual regulation of an exemplary rapid interceptive action: the attacking forehand drive in table tennis. In the first step, they experimentally compared the movement behaviors of…

  17. The Effect of Designed Geometry Teaching Lesson to the Candidate Teachers' Van Hiele Geometric Thinking Level

    ERIC Educational Resources Information Center

    Yilmaz, Gül Kaleli; Koparan, Timur

    2016-01-01

    The aim of this study is to find out how designed Geometry Teaching Lesson affects candidate teachers' Van Hiele Geometric Thinking Levels. For that purpose, 14 weeks long study was performed with 44 candidate teachers who were university students in Turkey. Van Hiele Geometric Thinking Test was applied to candidate teachers before and after…

  18. Community Music during the New Deal: The Contributions of Willem Van de Wall and Max Kaplan

    ERIC Educational Resources Information Center

    Krikun, Andrew

    2010-01-01

    Willem Van de Wall (1887-1953) and Max Kaplan (1911-98) built careers spanning music performance, music education, adult education, sociology, social work, music therapy and community music. Willem Van de Wall was a seminal influence on the development of the fields of music therapy and adult education--researching the role of music in…

  19. Determination of radiocarbon reservoir age of Lake Van by mineral magnetic and geochemical analysis

    NASA Astrophysics Data System (ADS)

    Makaroglu, Ozlem; Namik Cagatay, M.; Pesonen, Lauri J.; Orbay, Naci

    2017-04-01

    Lake Van is the largest soda lake in the world, located on the east Anatolian Plateau in Turkey. Its varved sediments provide an excellent archive of high-resolution paleoclimate record for the Near East. Varve counting and radiocarbon methods are therefore important dating techniques for investigating the Lake Van sedimentary paleoclimate record. In here we present detailed magnetic and geochemical record of Lake Van. We have studied 4.56 m (core VP0801) and 4.70 m (core VP0807) long cores recovered from 80 m and 65 m water depths located in SE and SW of Lake Van, respectively. Here, we have benefited from magnetic properties with associated remanent magnetization of the sediments from Lake Van to correlate the cores which contain of tephra layers. The cores cover the last 8.4 ka and lithologically include three laminated sedimentary units. From top to the bottom, the units were dated 4.2 ka BP-present, 5.4-4.2 ka BP and older than 5.4 ka BP. We identified tephra layers previously dated by varve counting, and used the varve ages to obtain age models for the cores. We also obtained a total of eight Accelerator Mass Spectrometry (AMS) 14C dates from total organic carbon (TOC) in the two cores, close to the tephra layers. Comparison of the varve ages of the AMS 14C dated samples with their corresponding AMS 14C dates indicates large differences, suggesting significant reservoir ages that range from 2.8 to 2.5 ka for 3.0-2.4 varve ka BP and from 2.8 to 3.3 ka for 8.0-5.9 varve ka BP. The results suggest that the reservoir age of the organic matter increases with the varve age of the sediments. This increase is mainly related to the rate of supply of "dead" carbon from the old carbonate rocks in the watershed of Lake Van, which was relatively higher during 8.4-5.9 ka than during 3.0-2.4 ka BP because of the higher atmospheric precipitation and higher rate of biochemical weathering during the former period.

  20. Rapid estimation of the electron correlation energy for van der Waals complexes RgX (Rg = Kr, Xe, X = Br, I)

    NASA Astrophysics Data System (ADS)

    Xinying, Li; Yongfang, Zhao; Xiaogong, Jing; Fengli, Liu; Fengyou, Hao

    2006-01-01

    We present the rules of electron correlation energies for RgX (Rg = Kr, Xe, X = Br, I) van der Waals (vdW) complex systems at CCSD(T) theoretical level with SDB-cc-pVQZ basis set by the Gaussian 98 program. A new method to derive the dispersion coefficient C6 by fitting the intermonomer electron correlation energies to C6R-6 function is introduced. The present C6 values are compared with the corresponding theoretical ones.