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Sample records for 3d valence states

  1. Electron collisions with Fe-peak elements: Forbidden transitions between the low lying valence states 3d{sup 6}, 3d{sup 5}4s, and 3d{sup 5}4p of Fe III

    SciTech Connect

    McLaughlin, B.M. . E-mail: b.mclaughlin@qub.ac.uk; Scott, M.P.; Sunderland, A.G.; Noble, C.J.; Burke, V.M.; Ramsbottom, C.A.; Reid, R.H.G.; Hibbert, A.; Bell, K.L.; Burke, P.G.

    2007-01-15

    Effective collision strengths are presented for the Fe-peak element Fe III at electron temperatures (T {sub e} in degrees Kelvin) in the range 2 x 10{sup 3} to 1 x 10{sup 6}. Forbidden transitions results are given between the 3d{sup 6}, 3d{sup 5}4s, and the 3d{sup 5}4p manifolds applicable to the modeling of laboratory and astrophysical plasmas.

  2. Ground-state rotational constants of 12CH 3D

    NASA Astrophysics Data System (ADS)

    Chackerian, C.; Guelachvili, G.

    1980-12-01

    An analysis of ground-state combination differences in the ν2( A1) fundamental band of 12CH 3D ( ν0 = 2200.03896 cm -1) has been made to yield values for the rotational constants B0, D0J, D0JK, H0JJJ, H0JJK, H0JKK, LJJJJ, L0JJJK, and order of magnitude values for L0JJKK and L0JKKK. These constants should be useful in assisting radio searches for this molecule in astrophysical sources. In addition, splittings of A1A2 levels ( J ≥ 17, K = 3) have been measured in both the ground and excited vibrational states of this band.

  3. State-Of of 3d National Mapping in 2016

    NASA Astrophysics Data System (ADS)

    Stoter, Jantien; Vallet, Bruno; Lithen, Thomas; Pla, Maria; Wozniak, Piotr; Kellenberger, Tobias; Streilein, Andre; Ilves, Risto; Ledoux, Hugo

    2016-06-01

    Techniques for 3D mapping are maturing. At the same time the need for 3D data is increasing. This has pushed national (and regional) mapping agencies (NMAs) to consider extending their traditional task of providing topographic data into the third dimension. To show how research results in 3D mapping obtained over the past twenty years have been adopted by practice, this paper presents the ongoing work on 3D mapping within seven NMAs, all member of the 3D Special Interest Group of European Spatial Data Research (EuroSDR). The paper shows that some NMAs are still in the initial (experimental) phase of 3D mapping, while others have already built solid databases to maintain 2.5D and 3D topographic data covering their whole country.

  4. Solid state light source for wavelength multiplex 3D

    NASA Astrophysics Data System (ADS)

    Huang, Junejei

    2012-10-01

    A solid state light source provided for wavelength multiplex 3D Display is proposed. The system of solid state light source includes blue laser arrays of two wavelengths, a 2-ring phosphor wheel, a multi-band filter and a TIR prism. Green and red phosphors excited by blue lasers provide the original green and red lights of wide bandwidth. By passing through or reflected by a multi-band filter, two groups of green and red lights of narrow bandwidth for left or right eyes are selected. Blue lasers of two wavelengths also provide two blue lights for left and right eyes. Instead of using a second rotated narrow band filters that synchronized with the first phosphor wheel, a wheel having two rings coated with mirrors and phosphors is used to replace the synchronization existing in the conventional two wheels method. After passing the 2-ring wheel, the light source switches between two light paths that lead to be reflected or transmitting through the multiband filter. The multi-band filter can be disposed in a telecentric optical path to secure a high efficiency for the filter. A compact spectral multiplex light source is realized and can be directly attached to any existing optical engine.

  5. Magnetocentrifugal Winds in 3D: Nonaxisymmetric Steady State

    SciTech Connect

    Anderson, Jeffrey M.; Li, Zhi-Yun; Krasnopolsky, Ruben; Blandford, Roger D.; /SLAC

    2006-11-28

    Outflows can be loaded and accelerated to high speeds along rapidly rotating, open magnetic field lines by centrifugal forces. Whether such magnetocentrifugally driven winds are stable is a longstanding theoretical problem. As a step towards addressing this problem, we perform the first large-scale 3D MHD simulations that extend to a distance {approx} 10{sup 2} times beyond the launching region, starting from steady 2D (axisymmetric) solutions. In an attempt to drive the wind unstable, we increase the mass loading on one half of the launching surface by a factor of {radical}10, and reduce it by the same factor on the other half. The evolution of the perturbed wind is followed numerically. We find no evidence for any rapidly growing instability that could disrupt the wind during the launching and initial phase of propagation, even when the magnetic field of the magnetocentrifugal wind is toroidally dominated all the way to the launching surface. The strongly perturbed wind settles into a new steady state, with a highly asymmetric mass distribution. The distribution of magnetic field strength is, in contrast, much more symmetric. We discuss possible reasons for the apparent stability, including stabilization by an axial poloidal magnetic field, which is required to bend field lines away from the vertical direction and produce a magnetocentrifugal wind in the first place.

  6. Optoelectronic properties of valence-state-controlled amorphous niobium oxide

    NASA Astrophysics Data System (ADS)

    Onozato, Takaki; Katase, Takayoshi; Yamamoto, Akira; Katayama, Shota; Matsushima, Koichi; Itagaki, Naho; Yoshida, Hisao; Ohta, Hiromichi

    2016-06-01

    In order to understand the optoelectronic properties of amorphous niobium oxide (a-NbO x ), we have investigated the valence states, local structures, electrical resistivity, and optical absorption of a-NbO x thin films with various oxygen contents. It was found that the valence states of Nb ion in a-NbO x films can be controlled from 5+  to 4+  by reducing oxygen pressure during film deposition at room temperature, together with changing the oxide-ion arrangement around Nb ion from Nb2O5-like to NbO2-like local structure. As a result, a four orders of magnitude reduction in the electrical resistivity of a-NbO x films was observed with decreasing oxygen content, due to the carrier generation caused by the appearance and increase of an oxygen-vacancy-related subgap state working as an electron donor. The tunable optoelectronic properties of a-NbO x films by valence-state-control with oxygen-vacancy formation will be useful for potential flexible optoelectronic device applications.

  7. Optoelectronic properties of valence-state-controlled amorphous niobium oxide.

    PubMed

    Onozato, Takaki; Katase, Takayoshi; Yamamoto, Akira; Katayama, Shota; Matsushima, Koichi; Itagaki, Naho; Yoshida, Hisao; Ohta, Hiromichi

    2016-06-29

    In order to understand the optoelectronic properties of amorphous niobium oxide (a-NbO x ), we have investigated the valence states, local structures, electrical resistivity, and optical absorption of a-NbO x thin films with various oxygen contents. It was found that the valence states of Nb ion in a-NbO x films can be controlled from 5+  to 4+  by reducing oxygen pressure during film deposition at room temperature, together with changing the oxide-ion arrangement around Nb ion from Nb2O5-like to NbO2-like local structure. As a result, a four orders of magnitude reduction in the electrical resistivity of a-NbO x films was observed with decreasing oxygen content, due to the carrier generation caused by the appearance and increase of an oxygen-vacancy-related subgap state working as an electron donor. The tunable optoelectronic properties of a-NbO x films by valence-state-control with oxygen-vacancy formation will be useful for potential flexible optoelectronic device applications. PMID:27168317

  8. Valence-band states of ion-bombarded polystyrene

    SciTech Connect

    Terrasi, A. ); Foti, G. ); Hwu, Y. ); Margaritondo, G. )

    1991-08-01

    Ion-bombarded polystyrene with a 0.5-keV Ar{sup +} beam has been investigated by means of photoelectron spectroscopy performed with synchrotron radiation. After a dose of 10{sup 15} ions/cm{sup 2} the evolution of the valence band of the bombarded sample towards an amorphous carbonlike configuration is reported. From the analysis of valence-band spectra we estimated the out-diffusion of hydrogen and showed that its electronic states remain well identified and stable until the hydrogen presence is about 35% with respect to the pristine sample. Finally, comparison with mass spectroscopy measurements on deuterated polystyrene has been performed to determine hydrogen evolution during the ion irradiation.

  9. Resonating Valence Bond states for low dimensional S=1 antiferromagnets

    NASA Astrophysics Data System (ADS)

    Liu, Zheng-Xin; Zhou, Yi; Ng, Tai-Kai

    2014-03-01

    We study S = 1 spin liquid states in low dimensions. We show that the resonating-valence-bond (RVB) picture of S = 1 / 2 spin liquid state can be generalized to S = 1 case. For S = 1 system, a many-body singlet (with even site number) can be decomposed into superposition of products of two-body singlets. In other words, the product states of two-body singlets, called the singlet pair states (SPSs), are over complete to span the Hilbert space of many-body singlets. Furthermore, we generalized fermionic representation and the corresponding mean field theory and Gutzwiller projected stats to S = 1 models. We applied our theory to study 1D anti-ferromagnetic bilinear-biquadratic model and show that both the ground states (including the phase transition point) and the excited states can be understood excellently well within the framework. Our method can be applied to 2D S = 1 antiferromagnets.

  10. Valence Band Character of NiS2-xSex using 3p-3d Resonant ARPES

    NASA Astrophysics Data System (ADS)

    Han, Garam; Kim, Yeongkwan; Koh, Yoonyoung; Kim, Beomyoung; Song, Dongjoon; Seo, Jungjin; Kyung, Wonshik; Lee, Kyungdong; Kim, Changyoung

    2013-03-01

    Understanding the strong correlated system is one of the most challenging tasks in condensed matter physics. Especially, the metal insulator transition (MIT) has been one of the major topics recent few decades. NiS2-xSex is known as one of famous material which has MIT. The cubic pyrite NiS2 is a charge-transfer (CT) insulator. NiS2 attracts particular interest as it easily forms a solid solution with NiSe2 (NiS2-xSex) which, while being isoelectronic and isostructural to NiS2, is nevertheless a good metal. MIT, induced by Se alloying, is observed at low temperature (T) for x =0.45. Perucchi and his collaborators revealed closed relation between MIT and band width through comparison of infrared spectroscopy result and LDA calculation. However, it was only an indirect observation, and is inconsistent with recent proposal that NiS2 is not a CT insulator but an insulator due to the bonding-antibonding splitting in the S - S (Se - Se) dimers. To reveal the true mechanism in the MIT in NiS2-xSex, resonant photoemission experiment is essential. According to competing theories (CT insulator and insulator due to bonding-antibonding splitting), it is expected that the character of the main band that is responsible for the MIT should be different. Therefore, we performed 3p->3d resonant ARPES for various Se dopings (x =0.43; insulator, x =0.5, 0.7, 2.0; metal) and observed a significant change between on- and off-resonances near the MIT. Our experimental result supports that the origin of MIT in NiS2-xSex is the CT theory rather than the dimer theory.

  11. The valence-fluctuating ground state of plutonium

    PubMed Central

    Janoschek, Marc; Das, Pinaki; Chakrabarti, Bismayan; Abernathy, Douglas L.; Lumsden, Mark D.; Lawrence, John M.; Thompson, Joe D.; Lander, Gerard H.; Mitchell, Jeremy N.; Richmond, Scott; Ramos, Mike; Trouw, Frans; Zhu, Jian-Xin; Haule, Kristjan; Kotliar, Gabriel; Bauer, Eric D.

    2015-01-01

    A central issue in material science is to obtain understanding of the electronic correlations that control complex materials. Such electronic correlations frequently arise because of the competition of localized and itinerant electronic degrees of freedom. Although the respective limits of well-localized or entirely itinerant ground states are well understood, the intermediate regime that controls the functional properties of complex materials continues to challenge theoretical understanding. We have used neutron spectroscopy to investigate plutonium, which is a prototypical material at the brink between bonding and nonbonding configurations. Our study reveals that the ground state of plutonium is governed by valence fluctuations, that is, a quantum mechanical superposition of localized and itinerant electronic configurations as recently predicted by dynamical mean field theory. Our results not only resolve the long-standing controversy between experiment and theory on plutonium’s magnetism but also suggest an improved understanding of the effects of such electronic dichotomy in complex materials. PMID:26601219

  12. The valence-fluctuating ground state of plutonium

    SciTech Connect

    Janoschek, Marc; Das, Pinaki; Chakrabarti, Bismayan; Abernathy, Douglas L.; Lumsden, Mark D.; Lawrence, John M.; Thompson, Joe D.; Lander, Gerard H.; Mitchell, Jeremy N.; Richmond, Scott; Ramos, Mike; Trouw, Frans; Zhu, Jian -Xin; Haule, Kristjan; Kotliar, Gabriel; Bauer, Eric D.

    2015-07-10

    A central issue in material science is to obtain understanding of the electronic correlations that control complex materials. Such electronic correlations frequently arise because of the competition of localized and itinerant electronic degrees of freedom. Although the respective limits of well-localized or entirely itinerant ground states are well understood, the intermediate regime that controls the functional properties of complex materials continues to challenge theoretical understanding. We have used neutron spectroscopy to investigate plutonium, which is a prototypical material at the brink between bonding and nonbonding configurations. In addition, our study reveals that the ground state of plutonium is governed by valence fluctuations, that is, a quantum mechanical superposition of localized and itinerant electronic configurations as recently predicted by dynamical mean field theory. Our results not only resolve the long-standing controversy between experiment and theory on plutonium’s magnetism but also suggest an improved understanding of the effects of such electronic dichotomy in complex materials.

  13. Valence and excited states of LiH-

    NASA Astrophysics Data System (ADS)

    Gutsev, Gennady L.; Nooijen, Marcel; Bartlett, Rodney J.

    1998-03-01

    Valence and excited dipole-bound states of the LiH- anion are calculated with the recently developed electron-attachment equation-of-motion coupled-cluster technique. It is found that the first dipole-bound state of LiH- corresponds to the second dissociation channel LiH--->Li-(1S)+H(2S). The second (excited) dipole-bound state of LiH- is below the neutral ground-state potential energy curve only for some range of the Li-H internuclear distance. This state appears at bond lengths larger than ~2.0 Å and decays at Li-H distances longer than ~4.2 Å, where the dipole moment of LiH becomes smaller than the critical value of 2.5 D. The adiabatic electron affinity of LiH calculated at the coupled-cluster level with the iterative inclusion of all single, double, and triple excitations and a large atomic natural orbital basis set is 0.327 eV, almost matching the recently obtained experimental value of 0.342+/-0.012 eV.

  14. Structural evolution and valence electron-state change during ultra thin silicon-oxide growth

    NASA Astrophysics Data System (ADS)

    Shimizu, A.; Abe, S.; Nakayama, H.; Nishino, T.; Iida, S.

    2000-06-01

    We have studied valence electron-state changes of Si during initial oxidation of Si(111) clean surface, HF-treated Si(001) and Si(111) surfaces by Auger valence electron spectroscopy (AVES). The results showed that the valence electron-state changes during initial oxidation were sensitively reflected in Si[2s,2p,V] (V=3s,3p) AVES spectra and that they depended on both initial surface treatment and surface orientation. The local valence electron-states, local density of states in other words, showed the characteristic-structure evolution depending on the initial surface treatment and surface orientation.

  15. The valence-fluctuating ground state of plutonium

    DOE PAGESBeta

    Janoschek, Marc; Das, Pinaki; Chakrabarti, Bismayan; Abernathy, Douglas L.; Lumsden, Mark D.; Lawrence, John M.; Thompson, Joe D.; Lander, Gerard H.; Mitchell, Jeremy N.; Richmond, Scott; et al

    2015-07-10

    A central issue in material science is to obtain understanding of the electronic correlations that control complex materials. Such electronic correlations frequently arise because of the competition of localized and itinerant electronic degrees of freedom. Although the respective limits of well-localized or entirely itinerant ground states are well understood, the intermediate regime that controls the functional properties of complex materials continues to challenge theoretical understanding. We have used neutron spectroscopy to investigate plutonium, which is a prototypical material at the brink between bonding and nonbonding configurations. In addition, our study reveals that the ground state of plutonium is governed bymore » valence fluctuations, that is, a quantum mechanical superposition of localized and itinerant electronic configurations as recently predicted by dynamical mean field theory. Our results not only resolve the long-standing controversy between experiment and theory on plutonium’s magnetism but also suggest an improved understanding of the effects of such electronic dichotomy in complex materials.« less

  16. Topologically distinct classes of valence-bond solid states with their parent Hamiltonians

    SciTech Connect

    Tu Honghao; Zhang Guangming; Xiang Tao; Liu Zhengxin; Ng Taikai

    2009-07-01

    We present a general method to construct one-dimensional translationally invariant valence-bond solid states with a built-in Lie group G and derive their matrix product representations. The general strategies to find their parent Hamiltonians are provided so that the valence-bond solid states are their unique ground states. For quantum integer-spin-S chains, we discuss two topologically distinct classes of valence-bond solid states: one consists of two virtual SU(2) spin-J variables in each site and another is formed by using two SO(2S+1) spinors. Among them, a spin-1 fermionic valence-bond solid state, its parent Hamiltonian, and its properties are discussed in detail. Moreover, two types of valence-bond solid states with SO(5) symmetries are further generalized and their respective properties are analyzed as well.

  17. Poly 3D fault modeling scripts/data for permeability potential of Washington State geothermal prospects

    DOE Data Explorer

    Michael Swyer

    2015-02-05

    Matlab scripts/functions and data used to build Poly3D models and create permeability potential GIS layers for 1) Mount St Helen's, 2) Wind River Valley, and 3) Mount Baker geothermal prospect areas located in Washington state.

  18. Valence, Covalence, Hypervalence, Oxidation State, and Coordination Number

    ERIC Educational Resources Information Center

    Smith, Derek W.

    2005-01-01

    Valence as a numerical measure of an atom's combining power, expressed by the number of bonds it forms in a molecular formulation of the compound in question, was unable to cope with coordination compounds. The covalence of an atom is the nearest model equivalent, but is subject to ambiguity since it often depends on which bonding model is being…

  19. THE VALENCE AND METHYLATION STATE OF ARSENIC DETERMINES ITS POTENCY IN INTERACTION WITH THE MITOTIC APPARATUS

    EPA Science Inventory

    We have previously shown that the cytotoxic and genotoxic potency of arsenicals is dependent upon their valence and methylation state. Trivalent methylated arsenicals are much more potent DNA damaging agents than are their inorganic and pentavalent counterparts. Furthermore, thei...

  20. Research on steady-state visual evoked potentials in 3D displays

    NASA Astrophysics Data System (ADS)

    Chien, Yu-Yi; Lee, Chia-Ying; Lin, Fang-Cheng; Huang, Yi-Pai; Ko, Li-Wei; Shieh, Han-Ping D.

    2015-05-01

    Brain-computer interfaces (BCIs) are intuitive systems for users to communicate with outer electronic devices. Steady state visual evoked potential (SSVEP) is one of the common inputs for BCI systems due to its easy detection and high information transfer rates. An advanced interactive platform integrated with liquid crystal displays is leading a trend to provide an alternative option not only for the handicapped but also for the public to make our lives more convenient. Many SSVEP-based BCI systems have been studied in a 2D environment; however there is only little literature about SSVEP-based BCI systems using 3D stimuli. 3D displays have potentials in SSVEP-based BCI systems because they can offer vivid images, good quality in presentation, various stimuli and more entertainment. The purpose of this study was to investigate the effect of two important 3D factors (disparity and crosstalk) on SSVEPs. Twelve participants participated in the experiment with a patterned retarder 3D display. The results show that there is a significant difference (p-value<0.05) between large and small disparity angle, and the signal-to-noise ratios (SNRs) of small disparity angles is higher than those of large disparity angles. The 3D stimuli with smaller disparity and lower crosstalk are more suitable for applications based on the results of 3D perception and SSVEP responses (SNR). Furthermore, we can infer the 3D perception of users by SSVEP responses, and modify the proper disparity of 3D images automatically in the future.

  1. Equation-of-State Test Suite for the DYNA3D Code

    SciTech Connect

    Benjamin, Russell D.

    2015-11-05

    This document describes the creation and implementation of a test suite for the Equationof- State models in the DYNA3D code. A customized input deck has been created for each model, as well as a script that extracts the relevant data from the high-speed edit file created by DYNA3D. Each equation-of-state model is broken apart and individual elements of the model are tested, as well as testing the entire model. The input deck for each model is described and the results of the tests are discussed. The intent of this work is to add this test suite to the validation suite presently used for DYNA3D.

  2. 3D imaging of particle tracks in Solid State Nuclear Track Detectors

    NASA Astrophysics Data System (ADS)

    Wertheim, D.; Gillmore, G.; Brown, L.; Petford, N.

    2009-04-01

    Inhalation of radon gas (222Rn) and associated ionizing decay products is known to cause lung cancer in human. In the U.K., it has been suggested that 3 to 5 % of total lung cancer deaths can be linked to elevated radon concentrations in the home and/or workplace. Radon monitoring in buildings is therefore routinely undertaken in areas of known risk. Indeed, some organisations such as the Radon Council in the UK and the Environmental Protection Agency in the USA, advocate a ‘to test is best' policy. Radon gas occurs naturally, emanating from the decay of 238U in rock and soils. Its concentration can be measured using CR?39 plastic detectors which conventionally are assessed by 2D image analysis of the surface; however there can be some variation in outcomes / readings even in closely spaced detectors. A number of radon measurement methods are currently in use (for examples, activated carbon and electrets) but the most widely used are CR?39 solid state nuclear track?etch detectors (SSNTDs). In this technique, heavily ionizing alpha particles leave tracks in the form of radiation damage (via interaction between alpha particles and the atoms making up the CR?39 polymer). 3D imaging of the tracks has the potential to provide information relating to angle and energy of alpha particles but this could be time consuming. Here we describe a new method for rapid high resolution 3D imaging of SSNTDs. A ‘LEXT' OLS3100 confocal laser scanning microscope was used in confocal mode to successfully obtain 3D image data on four CR?39 plastic detectors. 3D visualisation and image analysis enabled characterisation of track features. This method may provide a means of rapid and detailed 3D analysis of SSNTDs. Keywords: Radon; SSNTDs; confocal laser scanning microscope; 3D imaging; LEXT

  3. New spiral state and skyrmion lattice in 3D model of chiral magnets

    NASA Astrophysics Data System (ADS)

    Rybakov, Filipp N.; Borisov, Aleksandr B.; Blügel, Stefan; Kiselev, Nikolai S.

    2016-04-01

    We present the phase diagram of magnetic states for films of isotropic chiral magnets (ChMs) calculated as function of applied magnetic field and thickness of the film. We have found a novel magnetic state driven by the natural confinement of the crystal, localized at the surface and stacked on top of the conical bulk phase. This magnetic surface state has a three-dimensional (3D) chiral spin-texture described by the superposition of helical and cycloidal spin spirals. This surface state exists for a large range of applied magnetic fields and for any film thickness beyond a critical one. We also identified the whole thickness and field range for which the skyrmion lattice becomes the ground state of the system. Below a certain critical thickness the surface state and bulk conical phase are suppressed in favor of the skyrmion lattice. Unraveling of those phases and the construction of the phase diagram became possible using advanced computational techniques for direct energy minimization applied to a basic 3D model for ChMs. Presented results provide a comprehensive theoretical description for those effects already observed in experiments on thin films of ChMs, predict new effects important for applications and open perspectives for experimental studies of such systems.

  4. Surface states in a 3D topological insulator: The role of hexagonal warping and curvature

    SciTech Connect

    Repin, E. V.; Burmistrov, I. S.

    2015-09-15

    We explore a combined effect of hexagonal warping and a finite effective mass on both the tunneling density of electronic surface states and the structure of Landau levels of 3D topological insulators. We find the increasing warping to transform the square-root van Hove singularity into a logarithmic one. For moderate warping, an additional logarithmic singularity and a jump in the tunneling density of surface states appear. By combining the perturbation theory and the WKB approximation, we calculate the Landau levels in the presence of hexagonal warping. We predict that due to the degeneracy removal, the evolution of Landau levels in the magnetic field is drastically modified.

  5. Assessment of the isostatic state and the load distribution of the European Molasse basin by means of lithospheric-scale 3D structural and 3D gravity modelling

    NASA Astrophysics Data System (ADS)

    Przybycin, Anna M.; Scheck-Wenderoth, Magdalena; Schneider, Michael

    2015-07-01

    The European Molasse basin is a foreland basin situated at the northern front of the European Alps and has formed as a consequence of the Euro-Adriatic continental collision since the Tertiary. Today, it is underlain by Mesozoic sedimentary successions on top of a Paleozoic crust. To investigate the deep structure, the isostatic state, as well as the load distribution in the basin and the adjacent Alpine area, we constructed a lithospheric-scale 3D structural model by implementing available surface, well and seismic data. Subsequently, the structure of the model was constrained by means of 3D gravity modelling. Complementary, the isostatic state has been assessed based on the calculation of the 3D load distribution. Our results show that the Molasse basin is not in isostatic equilibrium and that the gravity field of the area is strongly controlled by the configuration of the crystalline crust. Furthermore, we show that the area is influenced by significant lateral load variations down to a depth of -150 km, which are considerably larger than commonly assumed for this level. Furthermore, our results allow a first-order assessment of the minimum compensating horizontal stress required to prevent gravitational collapse.

  6. Experimental Realization of Plaquette Resonating Valence-Bond States with Ultracold Atoms in Optical Superlattices

    NASA Astrophysics Data System (ADS)

    Nascimbène, S.; Chen, Y.-A.; Atala, M.; Aidelsburger, M.; Trotzky, S.; Paredes, B.; Bloch, I.

    2012-05-01

    The concept of valence-bond resonance plays a fundamental role in the theory of the chemical bond and is believed to lie at the heart of many-body quantum physical phenomena. Here we show direct experimental evidence of a time-resolved valence-bond quantum resonance with ultracold bosonic atoms in an optical lattice. By means of a superlattice structure we create a three-dimensional array of independent four-site plaquettes, which we can fully control and manipulate in parallel. Moreover, we show how small-scale plaquette resonating valence-bond (RVB) states with s- and d-wave symmetry can be created and characterized. We anticipate our findings to open the path towards the creation and analysis of many-body RVB states in ultracold atomic gases.

  7. State of the art of 3D scanning systems and inspection of textile surfaces

    NASA Astrophysics Data System (ADS)

    Montilla, M.; Orjuela-Vargas, S. A.; Philips, W.

    2014-02-01

    The rapid development of hardware and software in the digital image processing field has boosted research in computer vision for applications in industry. The development of new electronic devices and the tendency to decrease their prices makes possible new developments that few decades ago were possible only in the imagination. This is the case of 3D imaging technology which permits to detect failures in industrial products by inspecting aspects on their 3D surface. In search of an optimal solution for scanning textiles we present in this paper a review of existing techniques for digitizing 3D surfaces. Topographic details of textiles can be obtained by digitizing surfaces using laser line triangulation, phase shifting optical triangulation, projected-light, stereo-vision systems and silhouette analysis. Although we are focused on methods that have been used in the textile industry, we also consider potential mechanisms used for other applications. We discuss the advantages and disadvantages of the evaluated methods and state a summary of potential implementations for the textile industry.

  8. Excited state population of a 3D transmon in thermal equilibrium

    NASA Astrophysics Data System (ADS)

    Jin, X. Y.; Gustavsson, S.; Kamal, A.; Sears, A. P.; Gudmundsen, T.; Hover, D.; Kerman, A. J.; Yan, F.; Yoder, J.; Orlando, T. P.; Oliver, W. D.

    2014-03-01

    We present a systematic study of the excited state population of a 3D transmon qubit at various temperatures. We experimentally demonstrate that the population of the first excited state follows the Maxwell-Boltzmann distribution in the temperature range of 35-150 mK. For bath temperatures below 35 mK, the excited-state population saturates, with an upper-bound estimate of 0.1%. The saturation suggests a qubit effective temperature of approximately 35 mK. The Lincoln Laboratory portion of this work was sponsored by the Assistant Secretary of Defense for Research & Engineering under Air Force Contract number FA8721-05-C-0002. Opinions, interpretations, conclusions and recommendations are those of the author and are not necessarily endorsed by the United States Government.

  9. Positron annihilation study of the influence of doping on the 3 d electron states in the Ni3Al intermetallic compound

    NASA Astrophysics Data System (ADS)

    Druzhkov, A. P.; Perminov, D. A.; Stepanova, N. N.

    2010-10-01

    The 3 d electron states in Ni3Al single crystals doped with Fe, Co, and Nb have been investigated using angular correlation of annihilation radiation (ACAR). The ACAR spectra contain information on the momentum distribution of valence electrons and strongly bound 3 d electrons of the intermetallic compound. It has been established that the positrons in the Ni3Al crystals predominantly annihilate in the nickel sublattice from delocalized states. The doping of the compound by the third element leads to a variation in the momentum distribution of Ni 3 d electrons due to the change in the character of interatomic bonds. An analysis of the momentum distribution has demonstrated that the niobium atoms increase the covalent component of the chemical bond as compared to the binary compound due to the d Nb- d Ni hybridization. The doping with cobalt atoms also enhances the tendency toward the formation of the covalent bond. At the same time, iron atoms have a weak effect on the electronic structure of the intermetallic compound.

  10. Superconductivity in the liquid-dimer valence-bond state

    SciTech Connect

    Ioffe, L.B.; Larkin, A.I. )

    1989-10-01

    Introducing an unambiguous prescription which converts singlet dimers into quasidipoles, we describe the low-energy excitations in the liquid-dimer state as fluctuations of the average dipole moment. The exchange of these fluctuations leads to a long-range interaction between holes in this state. This interaction favors the two-particle Bose condensate and destroys the order parameter of the one-particle Bose condensate even at zero temperature.

  11. Electronic Spin and Valence States of Iron in the Lower-Mantle Silicate Perovskite

    NASA Astrophysics Data System (ADS)

    Chang, Y. Y.; Wu, Y.; Lin, J. F.; McCammon, C. A.; Okuchi, T.; Tomioka, N.

    2014-12-01

    Magnesium silicate perovskite (Pv) is the most abundant phase in the Earth's lower mantle and can make up to 75% in volume of the lower mantle in a pyrolitic compositional model. The electronic spin and valence states of iron (Fe) in Pv directly influence its physical and chemical properties, and therefore it is important to study the electronic spin and valence states of Fe in Pv at conditions corresponding to the Earth's lower mantle. Numerous studies have been dedicated to understanding the electronic spin and valence states of Fe in Pv at high pressures using experimental and theoretical techniques. However, experimental results and possible interpretations remain highly debated due to the multiple valence states and site occupancies of Fe in Pv. Previous studies also showed the incorporation of aluminum (Al) into a Fe-bearing Pv can affect the placement of Fe3+ and further complicate interpretations of experimental results. Here we present the experimental result on electronic spin and valence states of Fe using well-characterized single-crystal Fe-bearing and Al-Fe-bearing Pv to the pressures relevant to the lower mantle by synchrotron X-ray emission spectroscopy (XES) and Mössbauer spectroscopy (SMS). The samples used in this experiment were first characterized by Mössbauer spectroscopy (MS) at ambient conditions to identify the initial Fe electronic spin and valence states before performing high-pressure experiments. The XES spectra were analyzed using a new analytical method, integrate relative difference (IRD) method. The new IRD method had been shown in the previous study to be a more effective method of probing the pressure range of Fe spin transition and can avoid the influence of peak broadening on the interpretation of the spin states of Fe at high pressures. Our study will assist the comprehension and interpretation of the electronic spin and valence states of Fe on the major lower-mantle mineral. The result has implications to deep Earth

  12. Oxidation States of GRIM Glasses in EET79001 Based on Vanadium Valence

    NASA Astrophysics Data System (ADS)

    Sutton, S. R.; Rao, M. N.; Nyquist, L. E.

    2010-03-01

    Mean vanadium valences determined by microXANES for gas-rich impact-melt (GRIM) glasses in EET79001 ranged from 3.0 to 3.6. Mean fO2 ranged from IW-1.2 to IW+1.4. Variable oxidation state is consistent with impact reduction of regolith precursors.

  13. ULTRASONIC NEBULIZATION AND ARSENIC VALENCE STATE CONSIDERATIONS PRIOR TO DETERMINATION VIA INDUCTIVELY COUPLED PLASMA MASS SPECTROMETRY

    EPA Science Inventory

    An ultrasonic nebulizer (USN) was utilized as a sample introduction device for an inductively coupled plasma mass spectrometer in an attempt to increase the sensitivity for As. The USN produced a valence state response difference for As. The As response was suppressed approximate...

  14. Magnetic excitations in systems with a nonmagnetic ground state and valence fluctuations

    SciTech Connect

    Alekseev, P. A. Lazukov, V. N.; Nemkovskii, K. S.; Sadikov, I. P.

    2010-08-15

    The neutron inelastic scattering data for the spectra of f-electron excitations in valence-unstable semiconductors SmB{sub 6}, SmS, and YbB{sub 12} are discussed. The conclusions on the relation of the spectral characteristics to the nature of exciton-type states formed in these systems are reported.

  15. The Effect of Cerium Oxide Nanoparticle Valence State on Reactive Oxygen Species and Toxicity.

    PubMed

    Dunnick, Katherine M; Pillai, Rajalekshmi; Pisane, Kelly L; Stefaniak, Aleksandr B; Sabolsky, Edward M; Leonard, Stephen S

    2015-07-01

    Cerium oxide (CeO2) nanoparticles, which are used in a variety of products including solar cells, gas sensors, and catalysts, are expected to increase in industrial use. This will subsequently lead to additional occupational exposures, making toxicology screenings crucial. Previous toxicology studies have presented conflicting results as to the extent of CeO2 toxicity, which is hypothesized to be due to the ability of Ce to exist in both a +3 and +4 valence state. Thus, to study whether valence state and oxygen vacancy concentration are important in CeO2 toxicity, CeO2 nanoparticles were doped with gadolinium to adjust the cation (Ce, Gd) and anion (O) defect states. The hypothesis that doping would increase toxicity and decrease antioxidant abilities as a result of increased oxygen vacancies and inhibition of +3 to +4 transition was tested. Differences in toxicity and reactivity based on valence state were determined in RLE-6TN rat alveolar epithelial and NR8383 rat alveolar macrophage cells using enhanced dark field microscopy, electron paramagnetic resonance (EPR), and annexin V/propidium iodide cell viability stain. Results from EPR indicated that as doping increased, antioxidant potential decreased. Alternatively, doping had no effect on toxicity at 24 h. The present results imply that as doping increases, thus subsequently increasing the Ce(3+)/Ce(4+) ratio, antioxidant potential decreases, suggesting that differences in reactivity of CeO2 are due to the ability of Ce to transition between the two valence states and the presence of increased oxygen vacancies, rather than dependent on a specific valence state. PMID:25778836

  16. Facilely Tuning Porous NiCo2 O4 Nanosheets with Metal Valence-State Alteration and Abundant Oxygen Vacancies as Robust Electrocatalysts Towards Water Splitting.

    PubMed

    Zhu, Chengzhou; Fu, Shaofang; Du, Dan; Lin, Yuehe

    2016-03-14

    Great efforts in developing clean electrochemical water splitting technology leads to the rational design and synthesis of highly efficient oxygen evolution reaction (OER) catalysts with low overpotential and fast reaction kinetics. Herein, we focus on the role that morphology and composition play in the OER performance to rationally design freestanding 3D porous NiCo2O4 nanosheets with metal valence states alteration and abundant oxygen vacancies as robust electrocatalysts towards water splitting. Besides metal valence-state alteration, surface modification regarding the evolution of oxygen vacancies is facilely realized upon the sodium borohydride treatment, which is beneficial for the enhanced OER performance. Taking advantage of the porous nanostructures and abundant surface activity sites with high reactivity, the resultant nanostructures exhibit excellent OER activity and stability in alkaline electrolytes that outperform that of pristine NiCo2O4 and commercial RuO2, thus holding great potential for the water splitting. PMID:26845062

  17. 3D visualisation and analysis of single and coalescing tracks in Solid state Nuclear Track Detectors

    NASA Astrophysics Data System (ADS)

    Wertheim, David; Gillmore, Gavin; Brown, Louise; Petford, Nick

    2010-05-01

    Exposure to radon gas (222Rn) and associated ionising decay products can cause lung cancer in humans (1). Solid state Nuclear Track Detectors (SSNTDs) can be used to monitor radon concentrations (2). Radon particles form tracks in the detectors and these tracks can be etched in order to enable 2D surface image analysis. We have previously shown that confocal microscopy can be used for 3D visualisation of etched SSNTDs (3). The aim of the study was to further investigate track angles and patterns in SSNTDs. A 'LEXT' confocal laser scanning microscope (Olympus Corporation, Japan) was used to acquire 3D image datasets of five CR-39 plastic SSNTD's. The resultant 3D visualisations were analysed by eye and inclination angles assessed on selected tracks. From visual assessment, single isolated tracks as well as coalescing tracks were observed on the etched detectors. In addition varying track inclination angles were observed. Several different patterns of track formation were seen such as single isolated and double coalescing tracks. The observed track angles of inclination may help to assess the angle at which alpha particles hit the detector. Darby, S et al. Radon in homes and risk of lung cancer : collaborative analysis of individual data from 13 European case-control studies. British Medical Journal 2005; 330, 223-226. Phillips, P.S., Denman, A.R., Crockett, R.G.M., Gillmore, G., Groves-Kirkby, C.J., Woolridge, A., Comparative Analysis of Weekly vs. Three monthly radon measurements in dwellings. DEFRA Report No., DEFRA/RAS/03.006. (2004). Wertheim D, Gillmore G, Brown L, and Petford N. A new method of imaging particle tracks in Solid State Nuclear Track Detectors. Journal of Microscopy 2010; 237: 1-6.

  18. 3D and 4D Seismic Imaging in the Oilfield; the state of the art

    NASA Astrophysics Data System (ADS)

    Strudley, A.

    2005-05-01

    Seismic imaging in the oilfield context has seen enormous changes over the last 20 years driven by a combination of improved subsurface illumination (2D to 3D), increased computational power and improved physical understanding. Today Kirchhoff Pre-stack migration (in time or depth) is the norm with anisotropic parameterisation and finite difference methods being increasingly employed. In the production context Time-Lapse (4D) Seismic is of growing importance as a tool for monitoring reservoir changes to facilitate increased productivity and recovery. In this paper we present an overview of state of the art technology in 3D and 4D seismic and look at future trends. Pre-stack Kirchhoff migration in time or depth is the imaging tool of choice for the majority of contemporary 3D datasets. Recent developments in 3D pre-stack imaging have been focussed around finite difference solutions to the acoustic wave equation, the so-called Wave Equation Migration methods (WEM). Application of finite difference solutions to imaging is certainly not new, however 3D pre-stack migration using these schemes is a relatively recent development driven by the need for imaging complex geologic structures such as sub salt, and facilitated by increased computational resources. Finally there are a class of imaging methods referred to as beam migration. These methods may be based on either the wave equation or rays, but all operate on a localised (in space and direction) part of the wavefield. These methods offer a bridge between the computational efficiency of Kirchhoff schemes and the improved image quality of WEM methods. Just as 3D seismic has had a radical impact on the quality of the static model of the reservoir, 4D seismic is having a dramatic impact on the dynamic model. Repeat shooting of seismic surveys after a period of production (typically one to several years) reveals changes in pressure and saturation through changes in the seismic response. The growth in interest in 4D seismic

  19. Skyrmion-induced bound states on the surface of 3D Topological Insulators

    NASA Astrophysics Data System (ADS)

    Andrikopoulos, Dimitrios; Soree, Bart

    In this work, we study the interaction between the surface state of a 3D Topological Insulator and a skyrmion magnetic texture. The skyrmion texture couples to the spin of the surface state electron with strength ΔS. Vortex and hedgehog skyrmion and anti-skyrmion structures are considered and their interaction is compared. Due to the vortex structure, the interaction of the in-plane components can be neglected and a step function is used to describe the skyrmion magnetization profile. In the hedgehog case, it is shown that the in-plane components cannot be disregarded and thus a realistic description for the skyrmion is required. Working in the micromagnetic framework, we derive a macrospin description for the skyrmion using the variational principle and then numerically solve for the bound states. It is shown that the existense and properties of these states as a function of skyrmion size, strongly depend on the skyrmion type. Both vortex and hedgehog skyrmions or anti-skyrmions can induce bound states with energies | E | < ΔS . For the hedgehog skyrmion case however, bound state appearance depends on the chirality. Finally, the probability densities in these states are computed and it is demonstrated that the electrons are localized throughout the skyrmion region. Also affiliated with imec, Belgium.

  20. Thermal hydraulic analysis for the Oregon State TRIGA reactor using RELAP5-3D

    SciTech Connect

    Marcum, W.R.; Woods, B.G.; Hartman, M.

    2008-07-15

    Thermal hydraulic analyses have being conducted at Oregon State University (OSU) in support of the conversion of the OSU TRIGA reactor (OSTR) core from high-enriched uranium (HEU) to low-enriched uranium (LEU) fuel as part of the Reduced Enrichment for Research and Test Reactors program. The goals of the thermal hydraulic analyses were to calculate natural circulation flow rates, coolant temperatures and fuel temperatures as a function of core power for both the HEU and LEU cores; calculate peak values of fuel temperature, cladding temperature, surface heat flux as well as departure from nuclear boiling ratio (DNBR) for steady state and pulse operation; and perform accident analyses for the accident scenarios identified in the OSTR safety analysis report. RELAP5-3D Version 2.4.2 was implemented to develop a model for the thermal hydraulic study. The OSTR core conversion is planned to take place in late 2008. (author)

  1. Visible light photoreactivity from hybridization states between carbon nitride bandgap states and valence states in Nb and Ti oxides

    NASA Astrophysics Data System (ADS)

    Lee, Hosik; Ohno, Takahisa

    2013-03-01

    For better efficiency as photocatalysts, N-doping for visible light reactivity has been intensively studied in Lamellar niobic and titanic solid acids (HNb3O8, H2Ti4O9), and its microscopic structures have been debated in this decade. We calculate the layered solid acids' structures and bandgaps. Bandgap reduction by carbon nitride adsorption in interlayer space is observed computationally. It originates from localized nitrogen states which form delocalized top-valence states by hybridizing with the host oxygen states and can contribute to photo-current.

  2. Automated Segmentation of the Right Ventricle in 3D Echocardiography: A Kalman Filter State Estimation Approach.

    PubMed

    Bersvendsen, Jorn; Orderud, Fredrik; Massey, Richard John; Fosså, Kristian; Gerard, Olivier; Urheim, Stig; Samset, Eigil

    2016-01-01

    As the right ventricle's (RV) role in cardiovascular diseases is being more widely recognized, interest in RV imaging, function and quantification is growing. However, there are currently few RV quantification methods for 3D echocardiography presented in the literature or commercially available. In this paper we propose an automated RV segmentation method for 3D echocardiographic images. We represent the RV geometry by a Doo-Sabin subdivision surface with deformation modes derived from a training set of manual segmentations. The segmentation is then represented as a state estimation problem and solved with an extended Kalman filter by combining the RV geometry with a motion model and edge detection. Validation was performed by comparing surface-surface distances, volumes and ejection fractions in 17 patients with aortic insufficiency between the proposed method, magnetic resonance imaging (MRI), and a manual echocardiographic reference. The algorithm was efficient with a mean computation time of 2.0 s. The mean absolute distances between the proposed and manual segmentations were 3.6 ± 0.7 mm. Good agreements of end diastolic volume, end systolic volume and ejection fraction with respect to MRI ( -26±24 mL , -16±26 mL and 0 ± 10%, respectively) and a manual echocardiographic reference (7 ± 30 mL, 13 ± 17 mL and -5±7% , respectively) were observed. PMID:26168434

  3. Benchmarking of state-of-the-art needle detection algorithms in 3D ultrasound data volumes

    NASA Astrophysics Data System (ADS)

    Pourtaherian, Arash; Zinger, Svitlana; de With, Peter H. N.; Korsten, Hendrikus H. M.; Mihajlovic, Nenad

    2015-03-01

    Ultrasound-guided needle interventions are widely practiced in medical diagnostics and therapy, i.e. for biopsy guidance, regional anesthesia or for brachytherapy. Needle guidance using 2D ultrasound can be very challenging due to the poor needle visibility and the limited field of view. Since 3D ultrasound transducers are becoming more widely used, needle guidance can be improved and simplified with appropriate computer-aided analyses. In this paper, we compare two state-of-the-art 3D needle detection techniques: a technique based on line filtering from literature and a system employing Gabor transformation. Both algorithms utilize supervised classification to pre-select candidate needle voxels in the volume and then fit a model of the needle on the selected voxels. The major differences between the two approaches are in extracting the feature vectors for classification and selecting the criterion for fitting. We evaluate the performance of the two techniques using manually-annotated ground truth in several ex-vivo situations of different complexities, containing three different needle types with various insertion angles. This extensive evaluation provides better understanding on the limitations and advantages of each technique under different acquisition conditions, which is leading to the development of improved techniques for more reliable and accurate localization. Benchmarking results that the Gabor features are better capable of distinguishing the needle voxels in all datasets. Moreover, it is shown that the complete processing chain of the Gabor-based method outperforms the line filtering in accuracy and stability of the detection results.

  4. Design and fabrication of a foldable 3D silicon based package for solid state lighting applications

    NASA Astrophysics Data System (ADS)

    Sokolovskij, R.; Liu, P.; van Zeijl, H. W.; Mimoun, B.; Zhang, G. Q.

    2015-05-01

    Miniaturization of solid state lighting (SSL) luminaires as well as reduction of packaging and assembly costs are of prime interest for the SSL lighting industry. A novel silicon based LED package for lighting applications is presented in this paper. The proposed design consists of 5 rigid Si tiles connected by flexible polyimide hinges with embedded interconnects (ICs). Electrical, optical and thermal characteristics were taken into consideration during design. The fabrication process involved polyimide (PI) application and patterning, aluminium interconnect integration in the flexible hinge, LED reflector cavity formation and metalization followed by through wafer DRIE etching for chip formation and release. A method to connect chip front to backside without TSVs was also integrated into the process. Post-fabrication wafer level assembly included LED mounting and wirebond, phosphor-based colour conversion and silicone encapsulation. The package formation was finalized by vacuum assisted wrapping around an assembly structure to form a 3D geometry, which is beneficial for omnidirectional lighting. Bending tests were performed on the flexible ICs and optical performance at different temperatures was evaluated. It is suggested that 3D packages can be expanded to platforms for miniaturized luminaire applications by combining monolithic silicon integration and system-in-package (SiP) technologies.

  5. Resonant valence bond states in zinc vacancies induce the ferromagnetism of ZnO

    NASA Astrophysics Data System (ADS)

    Sun, Shih-Jye

    2016-05-01

    A theoretical model was proposed to investigate the mechanism of ferromagnetism in ZnO as well as to simulate the experimental result that the ferromagnetism can be enhanced by UV irradiation as UV photon energy is equivalent to the band gap. In the model, the spin moments arise from the trapped electrons in oxygen vacancy states and coexist with the itinerant electrons which reside in zinc vacancy states and fall into resonant valence bond states. Charge exchange between the conduction band of ZnO and both vacancy states makes electrons on both vacancy states delocalized and results in a decrease of the ferromagnetism as well.

  6. 3D structure of eukaryotic flagella in a quiescent state revealed by cryo-electron tomography

    PubMed Central

    Nicastro, Daniela; McIntosh, J. Richard; Baumeister, Wolfgang

    2005-01-01

    We have used cryo-electron tomography to investigate the 3D structure and macromolecular organization of intact, frozen-hydrated sea urchin sperm flagella in a quiescent state. The tomographic reconstructions provide information at a resolution better than 6 nm about the in situ arrangements of macromolecules that are key for flagellar motility. We have visualized the heptameric rings of the motor domains in the outer dynein arm complex and determined that they lie parallel to the plane that contains the axes of neighboring flagellar microtubules. Both the material associated with the central pair of microtubules and the radial spokes display a plane of symmetry that helps to explain the planar beat pattern of these flagella. Cryo-electron tomography has proven to be a powerful technique for helping us understand the relationships between flagellar structure and function and the design of macromolecular machines in situ. PMID:16246999

  7. Thermal and Residual Excited-State Population in a 3D Transmon Qubit.

    PubMed

    Jin, X Y; Kamal, A; Sears, A P; Gudmundsen, T; Hover, D; Miloshi, J; Slattery, R; Yan, F; Yoder, J; Orlando, T P; Gustavsson, S; Oliver, W D

    2015-06-19

    Remarkable advancements in coherence and control fidelity have been achieved in recent years with cryogenic solid-state qubits. Nonetheless, thermalizing such devices to their milliKelvin environments has remained a long-standing fundamental and technical challenge. In this context, we present a systematic study of the first-excited-state population in a 3D transmon superconducting qubit mounted in a dilution refrigerator with a variable temperature. Using a modified version of the protocol developed by Geerlings et al., we observe the excited-state population to be consistent with a Maxwell-Boltzmann distribution, i.e., a qubit in thermal equilibrium with the refrigerator, over the temperature range 35-150 mK. Below 35 mK, the excited-state population saturates at approximately 0.1%. We verified this result using a flux qubit with ten times stronger coupling to its readout resonator. We conclude that these qubits have effective temperature T(eff)=35  mK. Assuming T(eff) is due solely to hot quasiparticles, the inferred qubit lifetime is 108  μs and in plausible agreement with the measured 80  μs. PMID:26196969

  8. RKKY interaction in P-N junction based on surface states of 3D topological insulator

    NASA Astrophysics Data System (ADS)

    Zhang, Shuhui; Yang, Wen; Chang, Kai

    The RKKY interaction mediated by conduction electrons supplies a mechanism to realize the long-range coupling of localized spins which is desired for the spin devices. Here, we examine the controllability of RKKY interaction in P-N junction (PNJ) based on surface states of 3D topological insulator (3DTI). In this study, through quantum way but not usual classical analogy to light propagation, the intuitive picture for electron waves across the interface of PNJ is obtained, e.g., Klein tunneling, negative refraction and focusing. Moreover, we perform the numerical calculations for all kinds of RKKY interaction including the Heisenberg, Ising, and Dzyaloshinskii-Moriya terms. We find the focusing of surface states leads to the local augmentation of RKKY interaction. Most importantly, a dimension transition occurs, i.e., the decay rate of RKKY interaction from the deserved 1/R 2 to 1/ R . In addition, the quadratic gate-dependence of RKKY interaction is also beneficial to the application of 3DTI PNJ in the fields of spintronics and quantum computation. This work was supported by the MOST (Grant No. 2015CB921503, and No. 2014CB848700) and NSFC (Grant No. 11434010, No. 11274036, No. 11322542, and No. 11504018).

  9. Accurate nonrelativistic ground-state energies of 3d transition metal atoms

    SciTech Connect

    Scemama, A.; Applencourt, T.; Giner, E.; Caffarel, M.

    2014-12-28

    We present accurate nonrelativistic ground-state energies of the transition metal atoms of the 3d series calculated with Fixed-Node Diffusion Monte Carlo (FN-DMC). Selected multi-determinantal expansions obtained with the CIPSI (Configuration Interaction using a Perturbative Selection made Iteratively) method and including the most prominent determinants of the full configuration interaction expansion are used as trial wavefunctions. Using a maximum of a few tens of thousands determinants, fixed-node errors on total DMC energies are found to be greatly reduced for some atoms with respect to those obtained with Hartree-Fock nodes. To the best of our knowledge, the FN-DMC/(CIPSI nodes) ground-state energies presented here are the lowest variational total energies reported so far. They differ from the recently recommended non-variational values of McCarthy and Thakkar [J. Chem. Phys. 136, 054107 (2012)] only by a few percents of the correlation energy. Thanks to the variational property of FN-DMC total energies, our results provide exact lower bounds for the absolute value of all-electron correlation energies, |E{sub c}|.

  10. Chemistry and physics of the Earth's lower mantle influenced by iron spin and valence states

    NASA Astrophysics Data System (ADS)

    Xu, S.; Lin, J.; Morgan, D.

    2013-12-01

    Abstract: Earth's lower mantle is believed to be mainly made of (Al,Fe)-bearing silicate perovskite and ferropericlase in which the spin and valence states of iron can play a major role in our understanding of the physics and chemistry of the planet's interior. An ab-initio thermodynamic model has been used to predict the partitioning of iron in various spin and valence states, focusing on the effects of the spin transitions of Fe2+/Fe3+ and the Al3+ substitution in these major phases at relevant pressure-temperature and oxygen fugacity conditions. Our results show significant changes in the partition coefficient [KD=(Fe/Mg)Mg-Pv/(Fe/Mg)Fp] at the top lower-mantle conditions, and are further extended to understand the consequences of the dramatic changes in iron partitioning on lower mantle's density, bulk modulus and bulk sound speed. Our ab-initio simulations demonstrate that the Al content in the silicate perovskite plays a critical role on the Fe partitioning and stabilizes Fe3+ in perovskite through the coupled substitution of Fe3+-Al3+. The effects of the high-spin to low-spin transition of Fe2+ in ferropericlase and Fe3+ in perosvkite are explored. Based on a pyrolitic compositional model along an expected lower-mantle geotherm, we will present how the variations in iron spin and valences affect lower-mantle geophysics and geochemistry.

  11. Interatomic decay of inner-valence ionized states in ArXe clusters: Relativistic approach

    SciTech Connect

    Fasshauer, Elke; Pernpointner, Markus; Gokhberg, Kirill

    2013-01-07

    In this work we investigate interatomic electronic decay processes taking place in mixed argon-xenon clusters upon the inner-valence ionization of an argon center. We demonstrate that both interatomic Coulombic decay and electron-transfer mediated decay (ETMD) are important in larger rare gas clusters as opposed to dimers. Calculated secondary electron spectra are shown to depend strongly on the spin-orbit coupling in the final states of the decay as well as the presence of polarizable environment. It follows from our calculations that ETMD is a pure interface process taking place between the argon-xenon layers. The interplay of all these effects is investigated in order to arrive at a suitable physical model for the decay of inner-valence vacancies taking place in mixed ArXe clusters.

  12. Probing the Dynamics of Rydberg and Valence States of Molecular Nitrogen with Attosecond Transient Absorption Spectroscopy.

    PubMed

    Warrick, Erika R; Cao, Wei; Neumark, Daniel M; Leone, Stephen R

    2016-05-19

    An attosecond pulse is used to create a wavepacket in molecular nitrogen composed of multiple bound and autoionizing electronic states of Rydberg and valence character between 12 and 16.7 eV. A time-delayed, few-femtosecond, near-infrared (NIR) laser pulse is used to couple individual states in the wavepacket to multiple neighboring states, resulting in time-dependent modification of the absorption spectrum and revealing both individual quantum beats of the wavepacket and the energy shifts of the excited states in the presence of the strong NIR field. The broad bandwidth of the attosecond pulse and high energy resolution of the extreme ultraviolet spectrometer allow the simultaneous observation of time-dependent dynamics for many individual vibrational levels in each electronic state. Quantum beating with periods from 1.3 to 12 fs and transient line shape changes are observed among vibrational levels of a progression of electronically autoionizing Rydberg states leading to the excited A (2)Πu N2(+) ion core. Vibrational levels in the valence b (1)Πu state exhibit 50 fs oscillation periods, revealing superpositions between individual vibrational levels within this state. Comparisons are made to previous studies of electronic wavepackets in atoms that highlight similarities to atomic behavior yet illustrate unique contributions of the diatomic molecular structure to the wavepacket, including the influence of different electronic potentials and vibrational-level-specific electronic dynamics. PMID:26862883

  13. 3D geomechanical-numerical modelling of the absolute stress state for geothermal reservoir exploration

    NASA Astrophysics Data System (ADS)

    Reiter, Karsten; Heidbach, Oliver; Moeck, Inga

    2013-04-01

    For the assessment and exploration of a potential geothermal reservoir, the contemporary in-situ stress is of key importance in terms of well stability and orientation of possible fluid pathways. However, available data, e.g. Heidbach et al. (2009) or Zang et al. (2012), deliver only point wise information of parts of the six independent components of the stress tensor. Moreover most measurements of the stress orientation and magnitude are done for hydrocarbon industry obvious in shallow depth. Interpolation across long distances or extrapolation into depth is unfavourable, because this would ignore structural features, inhomogeneity's in the crust or other local effects like topography. For this reasons geomechanical numerical modelling is the favourable method to quantify orientations and magnitudes of the 3D stress field for a geothermal reservoir. A geomechanical-numerical modelling, estimating the 3D absolute stress state, requires the initial stress state as model constraints. But in-situ stress measurements within or close by a potential reservoir are rare. For that reason a larger regional geomechanical-numerical model is necessary, which derive boundary conditions for the wanted local reservoir model. Such a large scale model has to be tested against in-situ stress measurements, orientations and magnitudes. Other suitable and available data, like GPS measurements or fault slip rates are useful to constrain kinematic boundary conditions. This stepwise approach from regional to local scale takes all stress field factors into account, from first over second up to third order. As an example we present a large scale crustal and upper mantle 3D-geomechanical-numerical model of the Alberta Basin and the surroundings, which is constructed to describe continuously the full stress tensor. In-situ stress measurements are the most likely data, because they deliver the most direct information's of the stress field and they provide insights into different depths, a

  14. Recognition of Intensive Valence and Arousal Affective States via Facial Electromyographic Activity in Young and Senior Adults

    PubMed Central

    Li, Hang; Walter, Steffen; Hrabal, David; Rukavina, Stefanie; Limbrecht-Ecklundt, Kerstin; Hoffman, Holger; Traue, Harald C.

    2016-01-01

    Background Research suggests that interaction between humans and digital environments characterizes a form of companionship in addition to technical convenience. To this effect, humans have attempted to design computer systems able to demonstrably empathize with the human affective experience. Facial electromyography (EMG) is one such technique enabling machines to access to human affective states. Numerous studies have investigated the effects of valence emotions on facial EMG activity captured over the corrugator supercilii (frowning muscle) and zygomaticus major (smiling muscle). The arousal emotion, specifically, has not received much research attention, however. In the present study, we sought to identify intensive valence and arousal affective states via facial EMG activity. Methods Ten blocks of affective pictures were separated into five categories: neutral valence/low arousal (0VLA), positive valence/high arousal (PVHA), negative valence/high arousal (NVHA), positive valence/low arousal (PVLA), and negative valence/low arousal (NVLA), and the ability of each to elicit corresponding valence and arousal affective states was investigated at length. One hundred and thirteen participants were subjected to these stimuli and provided facial EMG. A set of 16 features based on the amplitude, frequency, predictability, and variability of signals was defined and classified using a support vector machine (SVM). Results We observed highly accurate classification rates based on the combined corrugator and zygomaticus EMG, ranging from 75.69% to 100.00% for the baseline and five affective states (0VLA, PVHA, PVLA, NVHA, and NVLA) in all individuals. There were significant differences in classification rate accuracy between senior and young adults, but there was no significant difference between female and male participants. Conclusion Our research provides robust evidences for recognition of intensive valence and arousal affective states in young and senior adults. These

  15. 3D hydrodynamics and shear rates' variability in the United States Pharmacopeia Paddle Dissolution Apparatus.

    PubMed

    Ameur, Houari; Bouzit, Mohamed

    2013-08-16

    The 3D hydrodynamics and shear rates distributions within the United States Pharmacopeia Apparatus 2 have been investigated in this paper. With the help of a CFD package, several geometric modifications to the device were evaluated in this study. Specially, we examine the influence of impeller clearance, blade diameter, shape of the vessel base and shape of the lower part of blade. Increasing the impeller clearance was observed to exacerbate the heterogeneity in shear and would likely result in greater variability in dissolution measurements. Use of moderate blade diameter and dished bottom were observed to reduce shear heterogeneity in the regions where tablets are most likely to visit during testing. The comparative analysis shows better reproducibility and accelerated dissolution rates with the modified vessel shape, the dished bottom can enhance mixing near the vessel base when compared with the flat bottom. Increasing length of the lower edge of the paddle was observed to generate high radial pumping and to enlarge the dead zone located at the center of the vessel base. PMID:23680733

  16. The effects of valence-based and discrete emotional states on aesthetic response.

    PubMed

    Cheng, Yin-Hui

    2013-01-01

    There is increasing recognition that consumer aesthetics--the responses of consumers to the aesthetic or appearance aspects of products--has become an important area of marketing in recent years. Consumer aesthetic responses to a product are a source of pleasure for the consumer. Previous research into the aesthetic responses to products has often emphasized exterior factors and visual design, but studies have seldom considered the psychological aesthetic experience of consumers, and in particular their emotional state. This study attempts to bridge this gap by examining the link between consumers' emotions and their aesthetic response to a product. Thus, the major goal of this study was to determine how valence-based and discrete emotional states influence choice. In Studies 1 and 2, positive and negative emotions were manipulated to implement two different induction techniques and explore the effect of emotions on participants' choices in two separate experiments. The results of both experiments confirmed the predictions, indicating that aesthetic responses and purchase intention are functions of emotional valence, such that both are stronger for people in a positive emotional state than for those in a negative emotional state. Study 2 also used a neutral affective state to establish the robustness of this observed effect of incidental affect. The results of Study 3 demonstrate that aesthetic response and purchase intention are not only a function of affect valence, but also are affected by the certainty appraisal associated with specific affective states. This research, therefore, contributes to the literature by offering empirical evidence that incidental affect is a determinant of aesthetic response. PMID:23136857

  17. Model valence-fluctuation systems: variational ground states and magnetic responses

    SciTech Connect

    Brandow, B.H.

    1980-04-01

    Variational ground-state wavefunctions are presented and optimized for two model valence-fluctuation systems, based on Anderson lattice Hamiltonians in the U ..-->.. infinity limit. Although these wavefunctions are approximate, they are treated in an essentially exact manner. The )f/sup 0/, f/sup 1/; n = 1) system has an intuitively reasonable ground-state susceptibility, while the )f/sup 1/, f/sup 2/; n = 2) system is found to exhibit an insulating gap. Due to their different crystal symmetries, this gap should be realized in SmB/sub 6/ but not in SmS.

  18. Recasting wave functions into valence bond structures: A simple projection method to describe excited states.

    PubMed

    Racine, Julien; Hagebaum-Reignier, Denis; Carissan, Yannick; Humbel, Stéphane

    2016-03-30

    A method is proposed to obtain coefficients and weights of valence bond (VB) determinants from multi configurational wave functions. This reading of the wave functions can apply to ground states as well as excited states. The method is based on projection operators. Both energetic and overlap-based criteria are used to assess the quality of the resulting VB wave function. The approach gives a simple access to a VB rewriting for low-lying states, and it is applied to the allyl cation, to the allyl radical and to the ethene (notably to the V-state). For these states, large overlap between VB and multi reference wave functions are easily obtained. The approach proves to be useful to propose an interpretation of the nature of the V-state of ethene. PMID:26786547

  19. State-of-The-Art and Applications of 3D Imaging Sensors in Industry, Cultural Heritage, Medicine, and Criminal Investigation

    PubMed Central

    Sansoni, Giovanna; Trebeschi, Marco; Docchio, Franco

    2009-01-01

    3D imaging sensors for the acquisition of three dimensional (3D) shapes have created, in recent years, a considerable degree of interest for a number of applications. The miniaturization and integration of the optical and electronic components used to build them have played a crucial role in the achievement of compactness, robustness and flexibility of the sensors. Today, several 3D sensors are available on the market, even in combination with other sensors in a “sensor fusion” approach. An importance equal to that of physical miniaturization has the portability of the measurements, via suitable interfaces, into software environments designed for their elaboration, e.g., CAD-CAM systems, virtual renders, and rapid prototyping tools. In this paper, following an overview of the state-of-art of 3D imaging sensors, a number of significant examples of their use are presented, with particular reference to industry, heritage, medicine, and criminal investigation applications. PMID:22389618

  20. State-of-The-Art and Applications of 3D Imaging Sensors in Industry, Cultural Heritage, Medicine, and Criminal Investigation.

    PubMed

    Sansoni, Giovanna; Trebeschi, Marco; Docchio, Franco

    2009-01-01

    3D imaging sensors for the acquisition of three dimensional (3D) shapes have created, in recent years, a considerable degree of interest for a number of applications. The miniaturization and integration of the optical and electronic components used to build them have played a crucial role in the achievement of compactness, robustness and flexibility of the sensors. Today, several 3D sensors are available on the market, even in combination with other sensors in a "sensor fusion" approach. An importance equal to that of physical miniaturization has the portability of the measurements, via suitable interfaces, into software environments designed for their elaboration, e.g., CAD-CAM systems, virtual renders, and rapid prototyping tools. In this paper, following an overview of the state-of-art of 3D imaging sensors, a number of significant examples of their use are presented, with particular reference to industry, heritage, medicine, and criminal investigation applications. PMID:22389618

  1. State-Specific Reactions of Cu(+)((1)S,(3)D) with SF6 and SF5Cl.

    PubMed

    Taylor, William S; Redmon, Xavier S; Scheuter, Benjamin A

    2016-04-21

    State-specific reactions of Cu(+)((1)S,(3)D) were carried out in a selected ion drift cell apparatus with SF6 and SF5Cl. Copper ions were prepared in a glow discharge utilizing Ne as the working gas. Analysis of Cu(+) states using ion mobility mass spectrometry (IMS) indicated the presence of both Cu(+)(3d(10)) and Cu(+)(3d(9)4s(1)) configurations attributable to the (1)S ground and (3)D first excited states of this metal ion, respectively. State-specific product formation in reactions of these ions with the two neutral substrates of interest here was determined using IMS along with both known and calculated energetic requirements for product formation. These experiments indicate that Cu(+)((1)S) associates with both SF6 and SF5Cl; however, the process is approximately four times as efficient with the latter neutral under these conditions. Association is also observed as a minor product between Cu(+)((3)D) and both neutral reactants. Inefficient formation of SF3(+) occurs as the sole bimolecular product from SF6 via Cu(+)((3)D). In contrast, Cu(+)((3)D) reacts with SF5Cl in rapid parallel bimolecular processes yielding SF3(+) and CuCl(+). These results also indicate that CuCl(+) initiates additional higher-order processes which result in SF5(+) and SF4Cl(+). The energetics associated with the formation of SF3(+) suggest that a copper halide neutral byproduct must also be formed, requiring a more complex mechanism than simple dissociative charge-transfer. PMID:27014999

  2. Mineralogical Changes and Fe Valence State During Antigorite Breakdown in Subduction Settings

    NASA Astrophysics Data System (ADS)

    Merkulova, M.; Munoz, M.; Vidal, O.; Brunet, F.

    2014-12-01

    Mineralogical and petrological changes in subduction zones include transition from altered hydrated rocks (mostly serpentinites) to anhydrous peridotites with the release of fluid. Changes in the valence of iron and other ions capable for electron-exchanges remain poorly constrained during this transition. The approach of this work comprises thermodynamic modeling and experiments based on the use of a piston-cylinder apparatus. We show a series of experiments with the range of temperatures from 550 to 850oC at pressure of 2 GPa, which perform the antigorite dehydration reaction using Fe-bearing antigorite and magnetite as starting material. The experimentally produced mineral phases have been characterized by X-ray diffraction, electron microprobe and X-ray absorption spectroscopy (XANES at the iron K-edge). At each step of serpentinite dehydration reaction we provide the modal abundance of minerals, the amount of releasing water, the chemical compositions of phases and the Fe-oxidation state. The modal abundance of experimental product assemblage changes gradually. Thus, antigorite dominates untill 650 oC and it fully dehydrates after 700 oC. Olivine and enstatite are the most prevailing phases at higher temperatures. However, chlorite, diopside and tremolite are observed during the reaction. Furthermore, olivine and antigorite have been found to change their iron content depending on temperature, which is in consistent with thermodynamic modeling accomplished in the present study. As the reaction progress with the increase of temperature, evolution of iron oxidation state changes. Antigorite containing mostly Fe3+ releases water and breaks down into olivine and enstatite containing Fe2+. The bulk Fe3+/Fetotal ratio decreases rapidly during first steps of the reaction and continue decreasing after antigorite disappearance. In our results we have showed the analyses of Fe valence state in both bulk rocks and separate minerals. Characterizing the evolution of

  3. Correlating valence state, site preference and co-substitution to the magnetoelastic properties of cobalt ferrite

    NASA Astrophysics Data System (ADS)

    Nlebedim, Cajetan; Jiles, David

    2015-03-01

    Understanding how to influence the physics of magnetism, especially the relationship between magnetic susceptibility and stress, can be very useful in designing non-contact stress and torque sensors using magnetoelastic materials. This is particularly important considering that materials rarely occur in states desirable for direct applications. In this work we show that the magnetoelastic properties of cobalt ferrite are strongly dependent on the valence states and site preferences of substituted cations. It was found that co-substitution of magnetic and non-magnetic cations, is key to achieving simultaneous improvement in magnetostriction amplitude and strain sensitivity to applied magnetic field. Nevertheless, Curie temperature decreased, irrespective of the valence state, site preference or co-substitution. This presentation will show why tetravalent Ge resulted in superior magnetostrictive properties compared to other tetravalent, trivalent and divalent cations substituted into the crystal lattice of cobalt ferrite. This work was supported by the U.S. DOE, Office of Science, Basic Energy Sciences, Materials Science and Engineering Division. The research was performed at Ames Laboratory, operated for the USDoE by Iowa State University (Contract #DE-AC02-07CH11358).

  4. Resonant-photoemission identification of the valence states of NiPS 3

    NASA Astrophysics Data System (ADS)

    Kelly, M. K.; Daniels, R. R.; Margaritondo, G.; Lévy, F.

    1984-04-01

    We monitored the resonant behavior of the Ni d satellite peaks in the valence band photoemission spectra of NiPS 3 at photon energies immediately below and immediately above the Ni3p threshold. The observed resonance gives an unequivocal identification of the satellite peaks and of the corresponding main Ni d features. The study of the electronic structure of this material and of the related compounds FePS 3 and HgPS 3 was extended to unoccupied states by means of partial-yield synchrotron-radiation photoemission spectroscopy.

  5. Metal Oxide Nanoparticles: The Importance of Size, Shape, Chemical Composition, and Valence State in Determining Toxicity

    NASA Astrophysics Data System (ADS)

    Dunnick, Katherine

    Nanoparticles, which are defined as a structure with at least one dimension between 1 and 100 nm, have the potential to be used in a variety of consumer products due to their improved functionality compared to similar particles of larger size. Their small size is associated with increased strength, improved catalytic properties, and increased reactivity; however, their size is also associated with increased toxicity in vitro and in vivo. Numerous toxicological studies have been conducted to determine the properties of nanomaterials that increase their toxicity in order to manufacture new nanomaterials with decreased toxicity. Data indicates that size, shape, chemical composition, and valence state of nanomaterials can dramatically alter their toxicity profile. Therefore, the purpose of this dissertation was to determine how altering the shape, size, and chemical composition of various metal oxide nanoparticles would affect their toxicity. Metal oxides are used in variety of consumer products, from spray-sun screens, to food coloring agents; thus, understanding the toxicity of metal oxides and determining which aspects affect their toxicity may provide safe alternatives nanomaterials for continued use in manufacturing. Tungstate nanoparticles toxicity was assessed in an in vitro model using RAW 264.7 cells. The size, shape, and chemical composition of these nanomaterials were altered and the effect on reactive oxygen species and general cytotoxicity was determined using a variety of techniques. Results demonstrate that shape was important in reactive oxygen species production as wires were able to induce significant reactive oxygen species compared to spheres. Shape, size, and chemical composition did not have much effect on the overall toxicity of these nanoparticles in RAW 264.7 cells over a 72 hour time course, implicating that the base material of the nanoparticles was not toxic in these cells. To further assess how chemical composition can affect toxicity

  6. Evaluation of the effect of valence state on cerium oxide nanoparticle toxicity following intratracheal instillation in rats.

    PubMed

    Dunnick, Katherine M; Morris, Anna M; Badding, Melissa A; Barger, Mark; Stefaniak, Aleksandr B; Sabolsky, Edward M; Leonard, Stephen S

    2016-09-01

    Cerium (Ce) is becoming a popular metal for use in electrochemical applications. When in the form of cerium oxide (CeO2), Ce can exist in both 3 + and 4 + valence states, acting as an ideal catalyst. Previous in vitro and in vivo evidence have demonstrated that CeO2 has either anti- or pro-oxidant properties, possibly due to the ability of the nanoparticles to transition between valence states. Therefore, we chose to chemically modify the nanoparticles to shift the valence state toward 3+. During the hydrothermal synthesis process, 10 mol% gadolinium (Gd) and 20 mol% Gd, were substituted into the lattice of the CeO2 nanoparticles forming a perfect solid solution with various A-site valence states. These two Gd-doped CeO2 nanoparticles were compared to pure CeO2 nanoparticles. Preliminary characteristics indicated that doping results in minimal size and zeta potential changes but alters valence state. Following characterization, male Sprague-Dawley rats were exposed to 0.5 or 1.0 mg/kg nanoparticles via a single intratracheal instillation. Animals were sacrificed and bronchoalveolar lavage fluid and various tissues were collected to determine the effect of valence state and oxygen vacancies on toxicity 1-, 7-, or 84-day post-exposure. Results indicate that damage, as measured by elevations in lactate dehydrogenase, occurred within 1-day post-exposure and was sustained 7-day post-exposure, but subsided to control levels 84-day post-exposure. Furthermore, no inflammatory signaling or lipid peroxidation occurred following exposure with any of the nanoparticles. Our results implicate that valence state has a minimal effect on CeO2 nanoparticle toxicity in vivo. PMID:26898289

  7. Neural evidence that three dimensions organize mental state representation: Rationality, social impact, and valence

    PubMed Central

    Tamir, Diana I.; Thornton, Mark A.; Contreras, Juan Manuel; Mitchell, Jason P.

    2016-01-01

    How do people understand the minds of others? Existing psychological theories have suggested a number of dimensions that perceivers could use to make sense of others’ internal mental states. However, it remains unclear which of these dimensions, if any, the brain spontaneously uses when we think about others. The present study used multivoxel pattern analysis (MVPA) of neuroimaging data to identify the primary organizing principles of social cognition. We derived four unique dimensions of mental state representation from existing psychological theories and used functional magnetic resonance imaging to test whether these dimensions organize the neural encoding of others’ mental states. MVPA revealed that three such dimensions could predict neural patterns within the medial prefrontal and parietal cortices, temporoparietal junction, and anterior temporal lobes during social thought: rationality, social impact, and valence. These results suggest that these dimensions serve as organizing principles for our understanding of other people. PMID:26621704

  8. A modified two-state empirical valence bond model for proton transport in aqueous solutions

    SciTech Connect

    Mabuchi, Takuya; Fukushima, Akinori; Tokumasu, Takashi

    2015-07-07

    A detailed analysis of the proton solvation structure and transport properties in aqueous solutions is performed using classical molecular dynamics simulations. A refined two-state empirical valence bond (aTS-EVB) method, which is based on the EVB model of Walbran and Kornyshev and the anharmonic water force field, is developed in order to describe efficiently excess proton transport via the Grotthuss mechanism. The new aTS-EVB model clearly satisfies the requirement for simpler and faster calculation, because of the simplicity of the two-state EVB algorithm, while providing a better description of diffusive dynamics of the excess proton and water in comparison with the previous two-state EVB models, which significantly improves agreement with the available experimental data. The results of activation energies for the excess proton and water calculated between 300 and 340 K (the temperature range used in this study) are also found to be in good agreement with the corresponding experimental data.

  9. A modified two-state empirical valence bond model for proton transport in aqueous solutions

    NASA Astrophysics Data System (ADS)

    Mabuchi, Takuya; Fukushima, Akinori; Tokumasu, Takashi

    2015-07-01

    A detailed analysis of the proton solvation structure and transport properties in aqueous solutions is performed using classical molecular dynamics simulations. A refined two-state empirical valence bond (aTS-EVB) method, which is based on the EVB model of Walbran and Kornyshev and the anharmonic water force field, is developed in order to describe efficiently excess proton transport via the Grotthuss mechanism. The new aTS-EVB model clearly satisfies the requirement for simpler and faster calculation, because of the simplicity of the two-state EVB algorithm, while providing a better description of diffusive dynamics of the excess proton and water in comparison with the previous two-state EVB models, which significantly improves agreement with the available experimental data. The results of activation energies for the excess proton and water calculated between 300 and 340 K (the temperature range used in this study) are also found to be in good agreement with the corresponding experimental data.

  10. State of the art of current 3-D scoliosis classifications: a systematic review from a clinical perspective.

    PubMed

    Donzelli, Sabrina; Poma, Salvatore; Balzarini, Luca; Borboni, Alberto; Respizzi, Stefano; Villafane, Jorge Hugo; Zaina, Fabio; Negrini, Stefano

    2015-01-01

    Scoliosis is a complex three dimensional (3D) deformity: the current lack of a 3D classification could hide something fundamental for scoliosis prognosis and treatment. A clear picture of the actually existing 3D classifications lacks. The aim of this systematic review was to identify all the 3D classification systems proposed until now in the literature with the aim to identify similarities and differences mainly in a clinical perspective.After a MEDLINE Data Base review, done in November 2013 using the search terms "Scoliosis/classification" [Mesh] and "scoliosis/classification and Imaging, three dimensional" [Mesh], 8 papers were included with a total of 1164 scoliosis patients, 23 hyperkyphosis and 25 controls, aged between 8 and 20 years, with curves from 10° to 81° Cobb, and various curve patterns. Six studies looked at the whole 3D spine and found classificatory parameters according to planes, angles and rotations, including: Plane of Maximal Curvature (PMC), Best Fit Plane, Cobb angles in bodily plane and PMC, Axial rotation of the apical vertebra and of the PMC, and geometric 3D torsion. Two studies used the regional (spinal) Top View of the spine and found classificatory parameters according to its geometrical properties (area, direction and barycenter) including: Ratio of the frontal and the sagittal size, Phase, Directions (total, thoracic and lumbar), and Shift. It was possible to find similarities among 10 out of the 16 the sub-groups identified by different authors with different methods in different populations.In summation, the state of the art of 3D classification systems include 8 studies which showed some comparability, even though of low level. The most useful one in clinical everyday practice, is far from being defined. More than 20 years passed since the definition of the third dimension of the scoliosis deformity, now the time has come for clinicians and bioengineers to start some real clinical application, and develop means to make this

  11. 2D approaches to 3D watermarking: state-of-the-art and perspectives

    NASA Astrophysics Data System (ADS)

    Mitrea, M.; Duţă, S.; Prêteux, F.

    2006-02-01

    With the advent of the Information Society, video, audio, speech, and 3D media represent the source of huge economic benefits. Consequently, there is a continuously increasing demand for protecting their related intellectual property rights. The solution can be provided by robust watermarking, a research field which exploded in the last 7 years. However, the largest part of the scientific effort was devoted to video and audio protection, the 3D objects being quite neglected. In the absence of any standardisation attempt, the paper starts by summarising the approaches developed in this respect and by further identifying the main challenges to be addressed in the next years. Then, it describes an original oblivious watermarking method devoted to the protection of the 3D objects represented by NURBS (Non uniform Rational B Spline) surfaces. Applied to both free form objects and CAD models, the method exhibited very good transparency (no visible differences between the marked and the unmarked model) and robustness (with respect to both traditional attacks and to NURBS processing).

  12. Effect of 3d doping on the electronic structure of BaFe2As2.

    PubMed

    McLeod, J A; Buling, A; Green, R J; Boyko, T D; Skorikov, N A; Kurmaev, E Z; Neumann, M; Finkelstein, L D; Ni, N; Thaler, A; Bud'ko, S L; Canfield, P C; Moewes, A

    2012-05-30

    The electronic structure of BaFe(2)As(2) doped with Co, Ni and Cu has been studied by a variety of experimental and theoretical methods, but a clear picture of the dopant 3d states has not yet emerged. Herein we provide experimental evidence of the distribution of Co, Ni and Cu 3d states in the valence band. We conclude that the Co and Ni 3d states provide additional free carriers to the Fermi level, while the Cu 3d states are found at the bottom of the valence band in a localized 3d(10) shell. These findings help shed light on why superconductivity can occur in BaFe(2)As(2) doped with Co and Ni but not Cu. PMID:22534111

  13. Effect of 3d doping on the electronic structure of BaFe2As2

    SciTech Connect

    McLeod, John A.; Buling, A.; Green, R.J.; Boyko, T.D.; Skorikov, N.A.; Kurmaev, E.Z.; Neumann, M.; Finkelstein, L.D.; Ni, Ni; Thaler, Alexander; Budko, Serguei L.; Canfield, Paul; Moewes, A.

    2012-04-25

    The electronic structure of BaFe2As2 doped with Co, Ni and Cu has been studied by a variety of experimental and theoretical methods, but a clear picture of the dopant 3d states has not yet emerged. Herein we provide experimental evidence of the distribution of Co, Ni and Cu 3d states in the valence band. We conclude that the Co and Ni 3d states provide additional free carriers to the Fermi level, while the Cu 3d states are found at the bottom of the valence band in a localized 3d10 shell. These findings help shed light on why superconductivity can occur in BaFe2As2 doped with Co and Ni but not Cu.

  14. Valence fluctuations and empty-state resonance for Fe adatom on a surface

    NASA Astrophysics Data System (ADS)

    Iskakov, S. N.; Mazurenko, V. V.; Valentyuk, M. V.; Lichtenstein, A. I.

    2015-12-01

    We report on the formation of the high-energy empty-state resonance in the electronic spectrum of the iron adatom on the Pt(111) surface. By using the combination of the first-principles methods and the finite-temperature exact diagonalization approach, we show that the resonance is the result of the valence fluctuations between atomic configurations of the impurity. Our theoretical finding is fully confirmed by the results of the scanning tunneling microscopy measurements [M. F. Crommie et al., Phys. Rev. B 48, 2851 (1993), 10.1103/PhysRevB.48.2851]. In contrast to the previous theoretical results obtained by using local spin density approximation, the paramagnetic state of the impurity in the experiment is naturally reproduced within our approach. This opens a way for interpretation of STM data collected earlier for metallic surface nanosystems with iron impurities.

  15. Charge density waves and local states in quasi-one-dimensional mixed valence inorganic complexes

    NASA Astrophysics Data System (ADS)

    Conradson, S. D.; Stroud, M. A.; Zietlow, M. H.; Swanson, B. I.; Baeriswyl, D.; Bishop, A. R.

    1988-02-01

    The ground state structures and local states associated with chemical defects in quasi-one-dimensional halogen ( X) bridged transition metal ( M) mixed valence solids of MX and MMX type have been studied. An adiabatic Hartree-Fock theoretical framework is presented and representative members are classified. The MX materials provide a class whose strong electron-phonon coupling usually favors a charge-density-wave (CDW) ground state. However, the coupling strength can be chemically tuned (e.g., by extension to MMX systems) or altered by pressure, driving the ground state structures towards, e.g., a bond-order-wave (BOW) phase. Electron-phonon driven self-trapped states are expected in both the CDW or BOW regimes. Resonance Raman spectra of the MMX solid K 4[Pt 2(P 2O 5H 2) 4Cl]·H 2O show, in addition to the homogeneous ground state modes, sharp new features with excitation profiles shifted to the red of the intervalence-charge-transfer (IVCT) band. We attribute these new bands to a local polaron state formed by oxidation of the Pt 2Cl chain by a chemical defect. The observed spectral characteristics of this local state are in good agreement with theoretical predictions.

  16. Oxidation States of Grim Glasses in EET79001 Based on Vanadium Valence

    NASA Technical Reports Server (NTRS)

    Sutton, S. R.; Rao, M. N.; Nyquist, L. E.

    2010-01-01

    Gas-rich impact-melt (GRIM) glasses in SNC meteorites are very rich in Martian atmospheric noble gases and sulfur suggesting a possible occurrence of regolith-derived secondary mineral assemblages in these samples. Previously, we have studied two GRIM glasses, 506 and 507, from EET79001 Lith A and Lith B, respectively, for elemental abundances and spatial distribution of sulfur using EMPA (WDS) and FE-SEM (EDS) techniques and for sulfur-speciation using K-edge XANES techniques. These elemental and FE-SEM micro-graph data at several locations in the GRIM glasses from Shergotty (DBS), Zagami 994 and EET79001, Lith B showed that FeO and SO3 are positively correlated (SO3 represents a mixture of sulfide and sulfate). FE-SEM (EDS) study revealed that the sulfur-rich pockets in these glasses contain numerous micron-sized iron-sulfide (Fe-S) globules sequestered throughout the volume. However, in some areas (though less frequently), we detected significant Fe-S-O signals suggesting the occurrence of iron sulfate. These GRIM glasses were studied by K-edge microXANES techniques for sulfur speciation in association with iron in sulfur-rich areas. In both samples, we found the sulfur speciation dominated by sulfide with minor oxidized sulfur mixed in with various proportions. The abundance of oxidized sulfur was greater in 506 than in 507. Based on these results, we hypothesize that sulfur initially existed as sulfate in the glass precursor materials and, on shock-impact melting of the precursor materials producing these glasses, the oxidized sulfur was reduced to predominately sulfide. In order to further test this hypothesis, we have used microXANES to measure the valence states of vanadium in GRIM glasses from Lith A and Lith B to complement and compare with previous analogous measurements on Lith C (note: 506 and 507 contain the largest amounts of martian atmospheric gases but the gas-contents in Lith C measured by are unknown). Vanadium is ideal for addressing this re

  17. Rydberg, Valence and Ion-Pair Quintet States of O_2

    NASA Astrophysics Data System (ADS)

    Vazquez, Gabriel J.; Liebermann, Hans P.; Lefebvre-Brion, H.

    2015-06-01

    We carried out a relatively comprehensive ab--initio study of the electronic structure of O_2 and O_2^+. We employed the MRD--CI package together with the cc--pV4Z basis set augmented with seven diffuse functions of s, p and d character on each atom. In this contribution we focus on the quintet states. Potential energy curves of about 50 quintet states were computed. The spectroscopic constants of the six valence quintet states (^5σ^+_g, ^5σ^-_g, ^5σ^-_u, ^5Π_u, ^5Π_g, ^5Δ_g) dissociating to the first dissociation limit O(^3P)+O(^3P) are reported. The four ion--pair quintet states (^5σ^-_g, ^5σ^-_u, ^5Π_g, ^5Π_u) dissociating into O^+(^4S)+O^-(^2P) at 17.28 eV were also computed and their spectroscopic constants will be presented. A number of bound quintet Rydberg states belonging to series converging to the a^4Π_u, b^4σ^-_g, f^4Π_g and ^6σ^+_u states of the O_2^+ cation were identified and attributed. Long--range interactions involving the ion--pair states as they slowly approach their dissociation limit will be shown.

  18. Simulation of unsteady state performance of a secondary air system by the 1D-3D-Structure coupled method

    NASA Astrophysics Data System (ADS)

    Wu, Hong; Li, Peng; Li, Yulong

    2016-02-01

    This paper describes the calculation method for unsteady state conditions in the secondary air systems in gas turbines. The 1D-3D-Structure coupled method was applied. A 1D code was used to model the standard components that have typical geometric characteristics. Their flow and heat transfer were described by empirical correlations based on experimental data or CFD calculations. A 3D code was used to model the non-standard components that cannot be described by typical geometric languages, while a finite element analysis was carried out to compute the structural deformation and heat conduction at certain important positions. These codes were coupled through their interfaces. Thus, the changes in heat transfer and structure and their interactions caused by exterior disturbances can be reflected. The results of the coupling method in an unsteady state showed an apparent deviation from the existing data, while the results in the steady state were highly consistent with the existing data. The difference in the results in the unsteady state was caused primarily by structural deformation that cannot be predicted by the 1D method. Thus, in order to obtain the unsteady state performance of a secondary air system more accurately and efficiently, the 1D-3D-Structure coupled method should be used.

  19. State-of-the-art of 3D cultures (organs-on-a-chip) in safety testing and pathophysiology.

    PubMed

    Alépée, Natalie; Bahinski, Anthony; Daneshian, Mardas; De Wever, Bart; Fritsche, Ellen; Goldberg, Alan; Hansmann, Jan; Hartung, Thomas; Haycock, John; Hogberg, Helena; Hoelting, Lisa; Kelm, Jens M; Kadereit, Suzanne; McVey, Emily; Landsiedel, Robert; Leist, Marcel; Lübberstedt, Marc; Noor, Fozia; Pellevoisin, Christian; Petersohn, Dirk; Pfannenbecker, Uwe; Reisinger, Kerstin; Ramirez, Tzutzuy; Rothen-Rutishauser, Barbara; Schäfer-Korting, Monika; Zeilinger, Katrin; Zurich, Marie-Gabriele

    2014-01-01

    Integrated approaches using different in vitro methods in combination with bioinformatics can (i) increase the success rate and speed of drug development; (ii) improve the accuracy of toxicological risk assessment; and (iii) increase our understanding of disease. Three-dimensional (3D) cell culture models are important building blocks of this strategy which has emerged during the last years. The majority of these models are organotypic, i.e., they aim to reproduce major functions of an organ or organ system. This implies in many cases that more than one cell type forms the 3D structure, and often matrix elements play an important role. This review summarizes the state of the art concerning commonalities of the different models. For instance, the theory of mass transport/metabolite exchange in 3D systems and the special analytical requirements for test endpoints in organotypic cultures are discussed in detail. In the next part, 3D model systems for selected organs--liver, lung, skin, brain--are presented and characterized in dedicated chapters. Also, 3D approaches to the modeling of tumors are presented and discussed. All chapters give a historical background, illustrate the large variety of approaches, and highlight up- and downsides as well as specific requirements. Moreover, they refer to the application in disease modeling, drug discovery and safety assessment. Finally, consensus recommendations indicate a roadmap for the successful implementation of 3D models in routine screening. It is expected that the use of such models will accelerate progress by reducing error rates and wrong predictions from compound testing. PMID:25027500

  20. Photoswitchable stable charge-distributed states in a new cobalt complex exhibiting photo-induced valence tautomerism.

    PubMed

    Slota, Michael; Blankenhorn, Marian; Heintze, Eric; Vu, Minh; Hübner, Ralph; Bogani, Lapo

    2015-01-01

    We report the synthesis and magnetic and photomagnetic behaviour of a novel valence tautomeric cobalt complex, [Co(3,5-dbbq)2(μ-bpym)] (1) (3,5-dbbq = 3,5-di-tert-butyl-1,2-benzoquinone and μ-bpym = 2,2'-bipyrimidine). The synthesis is performed by reacting Co2(CO)8 and μ-bpym in the presence of the ligand 3,5-dbbq in a mixed solvent under inert atmosphere. The magnetic behavior clearly shows the presence of electron transfer from the catecholate ligand to the cobalt center, producing valence tautomers of [Co(II)(SQ)2] with a transition temperature (T1/2) of 215 K. Photomagnetic studies, performed via both SQUID magnetometry and X-band electron paramagnetic resonance, show the clear presence of photoinduced valence tautomerism, at temperatures considerably higher than previous systems. A metastable charge distribution is observed, strengthening previous investigations on the character of mixed valence ligands. Entropy-driven valence tautomeric interconversion is observed, and drives the transition to the most stable charge distribution. The complex has the ability to coordinate and can be used as a photoswitchable building block, with the photomagnetic characterisation evidencing a metastable state lifetime of the photo-induced valence tautomeric process of ca. 2.9 × 10(4) s below 20 K. The observed yields are higher than ones in similar systems, showing that tiny changes in the molecular structures may have a huge impact. PMID:26470791

  1. Valence state change and defect centers induced by infrared femtosecond laser in Yb:YAG crystals

    NASA Astrophysics Data System (ADS)

    Wang, Xinshun; Liu, Yang; Zhao, Panjuan; Guo, Zhongyi; Li, Yan; Qu, Shiliang

    2015-04-01

    The broad band upconversion luminescence in Yb3+:YAG crystal has been observed in experiments under the irradiation of focused infrared femtosecond laser. The dependence of the fluorescence intensity on the pump power shows that the upconversion luminescence is due to simultaneous two-photon absorption process, which indicates that the broad emission bands at 365 and 463 nm could be assigned to the 5d → 4f transitions of Yb2+ ions and the one at 692 nm could be attributed to the electron-hole recombination process on (Yb2+-F+) centers. The absorption spectra of the Yb:YAG crystal samples before and after femtosecond laser irradiation, and after further annealing reveal that permanent valence state change of Yb ions from Yb3+ to Yb2+ and (Yb2+-F+) centers have been induced by infrared femtosecond laser irradiation in Yb3+:YAG crystal.

  2. Effect of Surface Defect States on Valence Band and Charge Separation and Transfer Efficiency.

    PubMed

    Xu, Juan; Teng, Yiran; Teng, Fei

    2016-01-01

    Both energy band and charge separation and transfer are the crucial affecting factor for a photochemical reaction. Herein, the BiOCl nanosheets without and with surface bismuth vacancy (BOC, V-BOC) are prepared by a simple hydrothermal method. It is found that the new surface defect states caused by bismuth vacancy have greatly up-shifted the valence band and efficiently enhanced the separation and transfer rates of photogenerated electron and hole. It is amazing that the photocatalytic activity of V-BOC is 13.6 times higher than that of BOC for the degradation methyl orange (MO). We can develop an efficient photocatalyst by the introduction of defects. PMID:27586149

  3. Effect of Surface Defect States on Valence Band and Charge Separation and Transfer Efficiency

    PubMed Central

    Xu, Juan; Teng, Yiran; Teng, Fei

    2016-01-01

    Both energy band and charge separation and transfer are the crucial affecting factor for a photochemical reaction. Herein, the BiOCl nanosheets without and with surface bismuth vacancy (BOC, V-BOC) are prepared by a simple hydrothermal method. It is found that the new surface defect states caused by bismuth vacancy have greatly up-shifted the valence band and efficiently enhanced the separation and transfer rates of photogenerated electron and hole. It is amazing that the photocatalytic activity of V-BOC is 13.6 times higher than that of BOC for the degradation methyl orange (MO). We can develop an efficient photocatalyst by the introduction of defects. PMID:27586149

  4. The implications of free 3D scanning in the conservation state assessment of old wood painted icon

    NASA Astrophysics Data System (ADS)

    Munteanu, Marius; Sandu, Ion

    2016-06-01

    The present paper presents the conservation state and the making of a 3D model of a XVIII-th century orthodox icon on wood support, using free available software and cloud computing. In order to create the 3D model of the painting layer of the icon a number of 70 pictures were taken using a Nikon DSLR D3300, 24.2 MP in setup with a Hama Star 75 photo tripod, in loops 360° around the painting, at three different angles. The pictures were processed with Autodesk I23D Catch, which automatically finds and matches common features among all of the uploaded photographs in order to create the 3D scene, using the power and speed of cloud computing. The obtained 3D model was afterwards analyzed and processed in order to obtain a final version, which can now be use to better identify, to map and to prioritize the future conservation processes and finally can be shared online as an animation.

  5. Synchrotron x-ray fluorescence microprobe: Quantification and mapping of mixed valence state samples using micro-XANES

    SciTech Connect

    Sutton, S.R. ); Bajt, S. Department of Applied Science, Brookhaven National Laboratory, Upton, New York 11973 ); Delaney, J. ); Schulze, D. ); Tokunaga, T. )

    1995-02-01

    The synchrotron x-ray fluorescence microprobe is a valuable instrument for quantification and mapping of mixed valence state samples with high spatial resolution and elemental sensitivity. A method has been developed for quantifying the proportions of Fe[sup 2+] and Fe[sup 3+] with 100 [mu]m spatial resolution and better than 100 ppm sensitivity using x-ray absorption near-edge structure (XANES). Applications of valence state mapping have been made to selenium in water-saturated sediments and manganese associated with wheat roots attacked by the take-all fungus.

  6. Solid state synthesis of chitosan and its unsaturated derivatives for laser microfabrication of 3D scaffolds

    NASA Astrophysics Data System (ADS)

    Akopova, T. A.; Demina, T. S.; Bagratashvili, V. N.; Bardakova, K. N.; Novikov, M. M.; Selezneva, I. I.; Istomin, A. V.; Svidchenko, E. A.; Cherkaev, G. V.; Surin, N. M.; Timashev, P. S.

    2015-07-01

    Chitosans with various degrees of deacetylation and molecular weights and their allyl substituted derivatives were obtained through a solvent-free reaction under shear deformation in an extruder. Structure and physical-chemical analysis of the samples were carried out using nuclear magnetic resonance (NMR), ultraviolet (UV) and infrared radiation (IR) spectroscopy. Photosensitive materials based on the synthesized polymers were successfully used for microfabrication of 3D well-defined architectonic structures by laser stereolithography. Study on the metabolic activity of NCTC L929 cultured in the presence of the cured chitosan extracts indicates that the engineered biomaterials could support adhesion, spreading and growth of adherent-dependent cells, and thus could be considered as biocompatible scaffolds.

  7. Protein Thermodynamics from the 3D Topological Structure of the Native State

    NASA Astrophysics Data System (ADS)

    Wood, Gregory; Dallakayan, Sargis; Jacobs, Donald

    2004-03-01

    Thermodynamic stability is calculated from the new Distance Constraint Model (DCM)[1]. Microscopic interactions are treated as constraints to which entropy and energies are assigned. From the 3D structure, an ensemble of mechanical frameworks are constructed representing distinct topologies of fluctuating constraints. For each framework, total energy is additive over all constraints while total entropy is additive over a select set of independent constraints. Independent constraints are identified via a graph theoretical algorithm, Floppy Inclusion and Rigid Substructure Topography (FIRST) [2]. Using Monte Carlo sampling a free energy landscape is calculated in constraint space. Excellent fits to heat capacity data for ubiquitin are achieved. Work supported by NIH GM48680-0952. [1] D. J. Jacobs, S. Dallakyan, G. G. Wood and A. Heckathorne, cond-mat/0309207 (to appear in PRE) [2] D. J. Jacobs, A. Rader, L. A. Kuhn and M. F. Thorpe, Proteins 44 150 (2001)

  8. 3-D TECATE/BREW: Thermal, stress, and birefringent ray-tracing codes for solid-state laser design

    SciTech Connect

    Gelinas, R.J.; Doss, S.K.; Nelson, R.G.

    1994-07-20

    This report describes the physics, code formulations, and numerics that are used in the TECATE (totally Eulerian code for anisotropic thermo-elasticity) and BREW (birefringent ray-tracing of electromagnetic waves) codes for laser design. These codes resolve thermal, stress, and birefringent optical effects in 3-D stationary solid-state systems. This suite of three constituent codes is a package referred to as LASRPAK.

  9. 3D and Education

    NASA Astrophysics Data System (ADS)

    Meulien Ohlmann, Odile

    2013-02-01

    Today the industry offers a chain of 3D products. Learning to "read" and to "create in 3D" becomes an issue of education of primary importance. 25 years professional experience in France, the United States and Germany, Odile Meulien set up a personal method of initiation to 3D creation that entails the spatial/temporal experience of the holographic visual. She will present some different tools and techniques used for this learning, their advantages and disadvantages, programs and issues of educational policies, constraints and expectations related to the development of new techniques for 3D imaging. Although the creation of display holograms is very much reduced compared to the creation of the 90ies, the holographic concept is spreading in all scientific, social, and artistic activities of our present time. She will also raise many questions: What means 3D? Is it communication? Is it perception? How the seeing and none seeing is interferes? What else has to be taken in consideration to communicate in 3D? How to handle the non visible relations of moving objects with subjects? Does this transform our model of exchange with others? What kind of interaction this has with our everyday life? Then come more practical questions: How to learn creating 3D visualization, to learn 3D grammar, 3D language, 3D thinking? What for? At what level? In which matter? for whom?

  10. Competing valence bond and symmetry-breaking Mott states of spin-3/2 fermions on a honeycomb lattice

    NASA Astrophysics Data System (ADS)

    Jakab, D.; Szirmai, E.; Lewenstein, M.; Szirmai, G.

    2016-02-01

    We investigate magnetic properties of strongly interacting four component spin-3/2 ultracold fermionic atoms in the Mott insulator limit with one particle per site in an optical lattice with honeycomb symmetry. In this limit, atomic tunneling is virtual, and only the atomic spins can exchange. We find a competition between symmetry-breaking and liquidlike disordered phases. Particularly interesting are valence bond states with bond centered magnetizations, situated between the ferromagnetic and conventional valence bond phases. In the framework of a mean-field theory, we calculate the phase diagram and identify an experimentally relevant parameter region where a homogeneous SU(4) symmetric Affleck-Kennedy-Lieb-Tasaki-like valence bond state is present.

  11. Crossover from a heavy fermion to intermediate valence state in noncentrosymmetric Yb2Ni12(P,As)7.

    PubMed

    Jiang, W B; Yang, L; Guo, C Y; Hu, Z; Lee, J M; Smidman, M; Wang, Y F; Shang, T; Cheng, Z W; Gao, F; Ishii, H; Tsuei, K D; Liao, Y F; Lu, X; Tjeng, L H; Chen, J M; Yuan, H Q

    2015-01-01

    We report measurements of the physical properties and electronic structure of the hexagonal compounds Yb2Ni12Pn7 (Pn = P, As) by measuring the electrical resistivity, magnetization, specific heat and partial fluorescence yield x-ray absorption spectroscopy (PFY-XAS). These demonstrate a crossover upon reducing the unit cell volume, from an intermediate valence state in Yb2Ni12As7 to a heavy-fermion paramagnetic state in Yb2Ni12P7, where the Yb is nearly trivalent. Application of pressure to Yb2Ni12P7 suppresses TFL, the temperature below which Fermi liquid behavior is recovered, suggesting the presence of a quantum critical point (QCP) under pressure. However, while there is little change in the Yb valence of Yb2Ni12P7 up to 30 GPa, there is a strong increase for Yb2Ni12As7 under pressure, before a near constant value is reached. These results indicate that any magnetic QCP in this system is well separated from strong valence fluctuations. The pressure dependence of the valence and lattice parameters of Yb2Ni12As7 are compared and at 1 GPa, there is an anomaly in the unit cell volume as well as a change in the slope of the Yb valence, indicating a correlation between structural and electronic changes. PMID:26626431

  12. Crossover from a heavy fermion to intermediate valence state in noncentrosymmetric Yb2Ni12(P,As)7

    PubMed Central

    Jiang, W. B.; Yang, L.; Guo, C. Y.; Hu, Z.; Lee, J. M.; Smidman, M.; Wang, Y. F.; Shang, T.; Cheng, Z. W.; Gao, F.; Ishii, H.; Tsuei, K. D.; Liao, Y. F.; Lu, X.; Tjeng, L. H.; Chen, J. M.; Yuan, H. Q.

    2015-01-01

    We report measurements of the physical properties and electronic structure of the hexagonal compounds Yb2Ni12Pn7 (Pn = P, As) by measuring the electrical resistivity, magnetization, specific heat and partial fluorescence yield x-ray absorption spectroscopy (PFY-XAS). These demonstrate a crossover upon reducing the unit cell volume, from an intermediate valence state in Yb2Ni12As7 to a heavy-fermion paramagnetic state in Yb2Ni12P7, where the Yb is nearly trivalent. Application of pressure to Yb2Ni12P7 suppresses TFL, the temperature below which Fermi liquid behavior is recovered, suggesting the presence of a quantum critical point (QCP) under pressure. However, while there is little change in the Yb valence of Yb2Ni12P7 up to 30 GPa, there is a strong increase for Yb2Ni12As7 under pressure, before a near constant value is reached. These results indicate that any magnetic QCP in this system is well separated from strong valence fluctuations. The pressure dependence of the valence and lattice parameters of Yb2Ni12As7 are compared and at 1 GPa, there is an anomaly in the unit cell volume as well as a change in the slope of the Yb valence, indicating a correlation between structural and electronic changes. PMID:26626431

  13. Valence correlation in the s2dn, sdn + 1, and dn + 2 states of the first-row transition metal atoms

    NASA Astrophysics Data System (ADS)

    Botch, Beatrice H.; Dunning, Thom. H., Jr.; Harrison, James F.

    1981-10-01

    The major differential valence correlation effects of the lowest lying states arising from the s2dn, sdn+1, and dn+2 configurations of the first-row transition metal atoms have been characterized using MCSCF and CI procedures. The important correlation effects are found to be, first, angular correlation of the 4s2 pair arising because of the near degeneracy of the 4s and 4p orbitals and, second, radial correlation of the 3d electron pairs. This large differential radial correlation of the 3d electrons can be interpreted as being due to nonequivalent d orbitals in the sdn+1 and dn+2 excited states. Both of these effects can be incorporated into a simple MCSCF wave function that reduces the error in the excited state atomic dissociation limits (˜0.2 eV in Sc-Cr and ˜0.5 eV in Mn-Cu for the sdn+1-s2dn excitation energy), yet still is of a form which lends itself easily to molecular calculations.

  14. Valence states and possible charge ordering in LaCo(1-x)Rh(x)O₃.

    PubMed

    Streltsov, Sergey V; Gapontsev, Vladimir V; Khomskii, Daniel I

    2016-03-01

    An unusual effect was discovered in Li et al (2010 J. Solid State Chem. 183 1388): the substitution of nonmagnetic low-spin Co(3+) in LaCoO3 by the formally isoelectronic and also nonmagnetic Rh(3+) led, surprisingly, to a rapid appearance of magnetism in LaCo(1-x)Rh(x)O3, even for small amounts of doping. Different explanations for this effect were proposed in the literature. To clarify the situation we carried out unbiased ab initio calculations of this system. We concluded that, in agreement with the original assumption of Li et al, but in contrast with later statements (Knizek et al 2012 Phys. Rev. B 85 134401), this effect is caused by the valence change ('redox reaction') Co(3+) +  Rh(3+) → Co(2+) +  Rh(4+), which creates magnetic Co(2+) and Rh(4+) ions. For the half-filled case LaCo1/2Rh1/2O3 we obtained the state with charge ordering of Co(2+) and Rh(4+) ions, which according to our calculations are antiferromagnetically coupled. The obtained results reasonably explain the observed behavior of the magnetic susceptibility of LaCo(1-x)Rh(x)O3, and the novel state predicted at half-doping could be verified experimentally by detailed structural and magnetic studies and by x-ray absorption spectroscopy. PMID:26852883

  15. Coordination and valence state of transition metal ions in alkali-borate glasses

    NASA Astrophysics Data System (ADS)

    Terczyńska-Madej, A.; Cholewa-Kowalska, K.; Łączka, M.

    2011-10-01

    Borate glasses of the 20R 2O·80B 2O 3 type, where R = Li, Na and K, were colored by doping with transition metal ions (Co, Ni, Cr and Mn). The glasses were obtained by melting at the temperature of 1150 °C. For these glasses optical absorption in UV-VIS-NIR range were recorded. Analysis of the spectra allows to be determined the coordination and oxidation states of the doping transition metal ions. Changes of their coordination or oxidation are presented as a function of the optical basicity Λ after Duffy. Cobalt and nickel are present in examined borate glasses as divalent ions (Co 2+, Ni 2+) in octahedral coordination mainly, but the tetrahedral coordination state of cobalt is also possible. Chromium and manganese are present in the borate glasses in various oxidation state, though Cr 3+ and Mn 3+ ions in the octahedral coordination are probably dominant. A decrease of the electronegativity of the modifiers (Li → Na → K) and an increase of the glass matrix basicity cause a shift of the oxidation/reduction equilibrium towards higher valences of the transition metals (Cr 6+, Mn 3+).

  16. Valence states and possible charge ordering in LaCo1-x Rh x O3

    NASA Astrophysics Data System (ADS)

    Streltsov, Sergey V.; Gapontsev, Vladimir V.; Khomskii, Daniel I.

    2016-03-01

    An unusual effect was discovered in Li et al (2010 J. Solid State Chem. 183 1388): the substitution of nonmagnetic low-spin Co3+ in LaCoO3 by the formally isoelectronic and also nonmagnetic Rh3+ led, surprisingly, to a rapid appearance of magnetism in LaCo1-x Rh x O3, even for small amounts of doping. Different explanations for this effect were proposed in the literature. To clarify the situation we carried out unbiased ab initio calculations of this system. We concluded that, in agreement with the original assumption of Li et al, but in contrast with later statements (Knizek et al 2012 Phys. Rev. B 85 134401), this effect is caused by the valence change (’redox reaction’) Co3+   +  Rh3+ \\to Co2+   +  Rh4+ , which creates magnetic Co2+ and Rh4+ ions. For the half-filled case LaCo1/2Rh1/2O3 we obtained the state with charge ordering of Co2+ and Rh4+ ions, which according to our calculations are antiferromagnetically coupled. The obtained results reasonably explain the observed behavior of the magnetic susceptibility of LaCo1-x Rh x O3, and the novel state predicted at half-doping could be verified experimentally by detailed structural and magnetic studies and by x-ray absorption spectroscopy.

  17. Universal bounds on charged states in 2d CFT and 3d gravity

    NASA Astrophysics Data System (ADS)

    Benjamin, Nathan; Dyer, Ethan; Fitzpatrick, A. Liam; Kachru, Shamit

    2016-08-01

    We derive an explicit bound on the dimension of the lightest charged state in two dimensional conformal field theories with a global abelian symmetry. We find that the bound scales with c and provide examples that parametrically saturate this bound. We also prove that any such theory must contain a state with charge-to-mass ratio above a minimal lower bound. We comment on the implications for charged states in three dimensional theories of gravity.

  18. Direct Electron Impact Excitation of Rydberg-Valence States of Molecular Nitrogen

    NASA Astrophysics Data System (ADS)

    Malone, C. P.; Johnson, P. V.; Liu, X.; Ajdari, B.; Muleady, S.; Kanik, I.; Khakoo, M. A.

    2012-12-01

    Collisions between electrons and neutral N2 molecules result in emissions that provide an important diagnostic probe for understanding the ionospheric energy balance and the effects of space weather in upper atmospheres. Also, transitions to singlet ungerade states cause N2 to be a strong absorber of solar radiation in the EUV spectral range where many ro-vibrational levels of these Rydberg-valence (RV) states are predissociative. Thus, their respective excitation and emission cross sections are important parameters for understanding the [N]/[N2] ratio in the thermosphere of nitrogen dominated atmospheres. The following work provides improved constraints on absolute and relative excitation cross sections of numerous RV states of N2, enabling more physically accurate atmospheric modeling. Here, we present recent integral cross sections (ICSs) for electron impact excitation of RV states of N2 [6], which were based on the differential cross sections (DCSs) derived from electron energy-loss (EEL) spectra of [5]. This work resulted in electronic excitation cross sections over the following measured vibrational levels: b 1Πu (v‧=0-14), c3 1Πu (v‧=0-3), o3 1Πu (v‧=0-3), b‧ 1Σu+ (v‧=0-10), c‧4 1Σu+ (v‧=0-3), G 3Πu (v‧=0-3), and F 3Πu (v‧=0-3). We further adjusted the cross sections of the RV states by extending the vibronic contributions to unmeasured v‧-levels via the relative excitation probabilities (REPs) as discussed in [6]. This resulted in REP-scaled ICSs over the following vibrational levels for the singlet ungerade states: b(0-19), c3(0-4), o3(0-4), b‧(0-16), and c‧4(0-8). Comparison of the ICSs of [6] with available EEL based measurements, theoretical calculations, and emission based work generally shows good agreement within error estimations, except with the recent reevaluation provided by [1]. Further, we have extended these results, using the recent EEL data of [3], to include the unfolding of better resolved features above ~13

  19. Band width and multiple-angle valence-state mapping of diamond

    SciTech Connect

    Jimenez, I.; Terminello, L.J.; Sutherland, D.G.J.

    1997-04-01

    The band width may be considered the single most important parameter characterizing the electronic structure of a solid. The ratio of band width and Coulomb repulsion determines how correlated or delocalized an electron system is. Some of the most interesting solids straddle the boundary between localized and delocalized, e.g. the high-temperature superconductors. The bulk of the band calculations available today is based on local density functional (DF) theory. Even though the Kohn-Sham eigenvalues from that theory do not represent the outcome of a band-mapping experiment, they are remarkably similar to the bands mapped via photoemission. Strictly speaking, one should use an excited state calculation that takes the solid`s many-body screening response to the hole created in photoemission into account. Diamond is a useful prototype semiconductor because of its low atomic number and large band width, which has made it a long-time favorite for testing band theory. Yet, the two experimental values of the band width of diamond have error bars of {+-}1 eV and differ by 3.2 eV. To obtain an accurate valence band width for diamond, the authors use a band-mapping method that collects momentum distributions instead of the usual energy distributions. This method has undergone extensive experimental and theoretical tests in determining the band width of lithium fluoride. An efficient, imaging photoelectron spectrometer is coupled with a state-of-the-art undulator beam line at the Advanced Light Source to allow collection of a large number of data sets. Since it takes only a few seconds to take a picture of the photoelectrons emitted into a 84{degrees} cone, the authors can use photon energies as high as 350 eV where the cross section for photoemission from the valence band is already quite low, but the emitted photoelectrons behave free-electron-like. This make its much easier to locate the origin of the inter-band transitions in momentum space.

  20. Macroscopic Degeneracy of Zero-Mode Rotating Surface States in 3D Dirac and Weyl Semimetals under Radiation.

    PubMed

    González, José; Molina, Rafael A

    2016-04-15

    We investigate the development of novel surface states when 3D Dirac or Weyl semimetals are placed under circularly polarized electromagnetic radiation. We find that the hybridization between inverted Floquet bands opens, in general, a gap, which closes at so-called exceptional points found for complex values of the momentum. This corresponds to the appearance of midgap surface states in the form of evanescent waves decaying from the surface exposed to the radiation. We observe a phenomenon reminiscent of Landau quantization by which the midgap surface states get a large degeneracy proportional to the radiation flux traversing the surface of the semimetal. We show that all of these surface states carry angular current, leading to an angular modulation of their charge that rotates with the same frequency of the radiation, which should manifest in the observation of a macroscopic chiral current in the irradiated surface. PMID:27127980

  1. Macroscopic Degeneracy of Zero-Mode Rotating Surface States in 3D Dirac and Weyl Semimetals under Radiation

    NASA Astrophysics Data System (ADS)

    González, José; Molina, Rafael A.

    2016-04-01

    We investigate the development of novel surface states when 3D Dirac or Weyl semimetals are placed under circularly polarized electromagnetic radiation. We find that the hybridization between inverted Floquet bands opens, in general, a gap, which closes at so-called exceptional points found for complex values of the momentum. This corresponds to the appearance of midgap surface states in the form of evanescent waves decaying from the surface exposed to the radiation. We observe a phenomenon reminiscent of Landau quantization by which the midgap surface states get a large degeneracy proportional to the radiation flux traversing the surface of the semimetal. We show that all of these surface states carry angular current, leading to an angular modulation of their charge that rotates with the same frequency of the radiation, which should manifest in the observation of a macroscopic chiral current in the irradiated surface.

  2. Comparison of 3D Classical Trajectory and Transition-State Theory Reaction Cross Sections

    DOE R&D Accomplishments Database

    Koeppl, G. W.; Karplus, Martin

    1970-10-01

    Although there is excellent agreement for a system such as H+H{sub 2} --> H{sub 2}+H, in which both the potential and the particle masses are symmetric, significant deviations occur for more asymmetric reactions. A detailed analysis show that the calculated differences are from the violation of two assumptions of transition-state theory.

  3. 3D collapse of rotating stellar iron cores in general relativity including deleptonization and a nuclear equation of state.

    PubMed

    Ott, C D; Dimmelmeier, H; Marek, A; Janka, H-T; Hawke, I; Zink, B; Schnetter, E

    2007-06-29

    We present 2D and 3D simulations of the collapse of rotating stellar iron cores in general relativity employing a nuclear equation of state and an approximate treatment of deleptonization. We compare fully general relativistic and conformally flat evolutions and find that the latter treatment is sufficiently accurate for the core-collapse supernova problem. We focus on gravitational wave (GW) emission from rotating collapse, bounce, and early postbounce phases. Our results indicate that the GW signature of these phases is much more generic than previously estimated. We also track the growth of a nonaxisymmetric instability in one model, leading to strong narrow-band GW emission. PMID:17678077

  4. The Haldane State in CsNiCl 3 Detected by Magnetization Measurements —Observation of Quantum-Classical Crossover and the Valence Bond Solid State—

    NASA Astrophysics Data System (ADS)

    Asano, Takayuki; Ajiro, Yoshitami; Mekata, Mamoru; Kamishima, Kenji; Koui, Katsuhiko; Goto, Tsuneaki; Furusawa, Masahiro; Hori, Hidenobu

    1997-02-01

    We have confirmed from susceptibility and magnetization measurements that the Haldane state really exists in 1D phase of CsNiCl3 which undergoes 3D ordering at T N=4.8 K. The observed susceptibility at low fields follows the predicted curve for the S=1 quantum chain with energy gap (Δ/k B˜10 K) down to near T N. A more definite evidence for the Haldane state is given by studying the effect of the nonmagnetic impurities. We have revealed a real existence of S=1/2 edge states characteristic of the Haldane state and further revealed a crossover from the quantum to classical regimes as a function of both temperature and field. The result is consistent with the model that at low temperatures (Tstate is well defined to form the Valence-Bond-Solid while at high temperatures (T>|J|/k B) and high fields (H>H G) the system is not in the Haldane state any more.

  5. Influence of spatial disorder on the superconducting state of a 3D superconductor

    NASA Astrophysics Data System (ADS)

    Parra, Carolina; Niestemski, Francis; Giraldo-Gallo, Paula; Contryman, Alex W.; Geballe, Theodore H.; Fisher, Ian R.; Manoharan, Hari C.

    2014-03-01

    We present the first measurements of the local tunneling density of states on the three-dimensional superconductor BaPb1 - x BixO3 as a function of Bi doping. Scanning tunneling spectroscopy measurements are performed on a sequence of samples which exhibit a field-tuned superconductor-to-insulator (SIT) transition. Our study shows that gap variations in the superconducting (SC) state (as a sign of SC disorder level) increase when the system moves towards the SIT phase boundary, with spatial inhomogeneity comparable in size to the material's coherence length. We demonstrate that this highly inhomogeneous local gap size is always finite at every location, even for Bi concentration closest to the SIT, where local insulating behavior is expected and globally confirmed in transport experiments. Our results also suggest a method for increasing the critical temperature for this material by reducing its spatial disorder in the appropriate part of the phase diagram.

  6. High-Resolution 3D Structure Determination of Kaliotoxin by Solid-State NMR Spectroscopy

    PubMed Central

    Korukottu, Jegannath; Schneider, Robert; Vijayan, Vinesh; Lange, Adam; Pongs, Olaf; Becker, Stefan; Baldus, Marc; Zweckstetter, Markus

    2008-01-01

    High-resolution solid-state NMR spectroscopy can provide structural information of proteins that cannot be studied by X-ray crystallography or solution NMR spectroscopy. Here we demonstrate that it is possible to determine a protein structure by solid-state NMR to a resolution comparable to that by solution NMR. Using an iterative assignment and structure calculation protocol, a large number of distance restraints was extracted from 1H/1H mixing experiments recorded on a single uniformly labeled sample under magic angle spinning conditions. The calculated structure has a coordinate precision of 0.6 Å and 1.3 Å for the backbone and side chain heavy atoms, respectively, and deviates from the structure observed in solution. The approach is expected to be applicable to larger systems enabling the determination of high-resolution structures of amyloid or membrane proteins. PMID:18523586

  7. A fully implicit method for 3D quasi-steady state magnetic advection-diffusion.

    SciTech Connect

    Siefert, Christopher; Robinson, Allen Conrad

    2009-09-01

    We describe the implementation of a prototype fully implicit method for solving three-dimensional quasi-steady state magnetic advection-diffusion problems. This method allows us to solve the magnetic advection diffusion equations in an Eulerian frame with a fixed, user-prescribed velocity field. We have verified the correctness of method and implementation on two standard verification problems, the Solberg-White magnetic shear problem and the Perry-Jones-White rotating cylinder problem.

  8. Duo gating on a 3D topological insulator - independent tuning of both topological surface states

    NASA Astrophysics Data System (ADS)

    Li, Chuan; de Ronde, Bob; Snelder, Marieke; Stehno, Martin; Huang, Yingkai; Golden, Mark; Brinkman, Alexander; ICE Team; IOP Collaboration

    ABSTRACT: Topological insulators are associated with a trove of exciting physics, such as the ability to host robust anyons, Majorana Bound States, which can be used for quantum computation. For future Majorana devices it is desirable to have the Fermi energy tuned as close as possible to the Dirac point of the topological surface state. Based on previous work on gating BSTS, we report the experimental progress towards gate-tuning of the top and bottom topological surface states of BiSbTeSe2 crystal flakes. When the Fermi level is moved across the Dirac point conduction is shown to change from electron dominated transport to hole dominated transport independently for either surface. In the high magnetic field, one can tune the system precisely between the different landau levels of both surfaces, thus a full gating map of the possible landau levels combination is established. In addition, we provide a simple capacitance model to explain the general hysteresis behaviors in topological insulator systems.

  9. Valence bond entanglement entropy.

    PubMed

    Alet, Fabien; Capponi, Sylvain; Laflorencie, Nicolas; Mambrini, Matthieu

    2007-09-14

    We introduce for SU(2) quantum spin systems the valence bond entanglement entropy as a counting of valence bond spin singlets shared by two subsystems. For a large class of antiferromagnetic systems, it can be calculated in all dimensions with quantum Monte Carlo simulations in the valence bond basis. We show numerically that this quantity displays all features of the von Neumann entanglement entropy for several one-dimensional systems. For two-dimensional Heisenberg models, we find a strict area law for a valence bond solid state and multiplicative logarithmic corrections for the Néel phase. PMID:17930468

  10. The Valence State of Silicon and Redox Dynamics in Aluminosilicate Melts

    NASA Astrophysics Data System (ADS)

    Cooper, R. F.; Pettersen, C.; Everman, R. L.

    2005-12-01

    Physicists have long been aware of the many valence states of Si and the roles these play in the kinetics of thermal oxidation of Si single crystals and the molecular structure of the amorphous oxide film (e.g., Borman et al., 1991). Similarly, the dynamics of oxidation and of vaporization of SiC are also affected by the presence of Si2+ in the amorphous silica surface film (e.g., Dunham et al., 1998; Mendybaev et al., 2002). Nevertheless, Si2+,4+ heterovalency is little considered in redox studies of silicate melts as reported in the petrology literature. We have performed experiments in which a liquid bronze (Cu,Sn) alloy was reacted with (1) a magnesium aluminosilicate melt and (2) a Zn2+-doped magnesium aluminosilicate melt, all done at a low oxygen fugacity (sufficient to keep the metal alloy from oxidizing in reaction with the gas environment). The driving potential for metal melt-silicate melt reaction has two components: (a) reduction of the silicate melt and oxidation of the metal alloy; (b) formation of a homogeneous silicate solution that incorporates ionic Cu and Sn. The reaction morphologies present compelling evidence that Si4+ in the silicate melt is reduced in part to Si2+, initially so as to incorporate Cu+,2+ into the melt; as the reaction proceeds, however, the Si2+ mobility becomes important in charge-compensation of the "inward" flux of Sn2+. Addition of Zn2+ to the starting silicate melt forces a spatially periodic variation in the silicate melt structure (as suggested by the chemistry) as the reaction proceeds. In separate experiments, reduction of an FeO-bearing calcium-magnesium aluminosilicate melt in a CO-rich environment creates a reaction morphology suggestive of reduction of Si4+ to facilitate the incorporation of carbonate ions into the melt. These experiments are perhaps exotic; nevertheless, they provoke the consideration of the potential role(s) played by silicon valence in any "self-buffering" process associated with the evolution

  11. Synthesis, crystal structure, and valence states of Mn-substituted La2RuO5

    NASA Astrophysics Data System (ADS)

    Riegg, S.; Garcia-Garcia, F. J.; Reller, A.; Loidl, A.; Ebbinghaus, S. G.

    2014-07-01

    Polycrystalline samples of layered perovskite-related La2Ru1-yMnyO5 (0≤y≤0.25) were prepared by a soft-chemistry synthesis based on the thermal decomposition of a citrate precursor. The crystal structures of the compounds were determined by Rietveld analysis of x-ray diffraction patterns recorded at different temperatures. Additional neutron diffraction patterns for La2Ru0.75Mn0.25O5 were recorded between 1.5 K and 300 K. A structural phase transition from a monoclinic room-temperature to a triclinic low-temperature phase was observed for y ≤0.20, while for y =0.25 a phase separation at low temperatures was identified. The structural phase-transition temperatures decrease with increasing Mn concentration. Selected area electron diffraction of La2Ru0.75Mn0.25O5 documented the absence of cationic ordering of Ru and Mn. The Mn and Ru oxidation states were determined using x-ray absorption spectroscopy and showed a stable +4 valence for both elements in all samples investigated, at room temperature as well as at 110 K.

  12. Valence state change and defect centers induced by infrared femtosecond laser in Yb:YAG crystals

    SciTech Connect

    Wang, Xinshun Liu, Yang; Zhao, Panjuan; Guo, Zhongyi; Li, Yan; Qu, Shiliang

    2015-04-21

    The broad band upconversion luminescence in Yb{sup 3+}:YAG crystal has been observed in experiments under the irradiation of focused infrared femtosecond laser. The dependence of the fluorescence intensity on the pump power shows that the upconversion luminescence is due to simultaneous two-photon absorption process, which indicates that the broad emission bands at 365 and 463 nm could be assigned to the 5d → 4f transitions of Yb{sup 2+} ions and the one at 692 nm could be attributed to the electron-hole recombination process on (Yb{sup 2+}-F{sup +}) centers. The absorption spectra of the Yb:YAG crystal samples before and after femtosecond laser irradiation, and after further annealing reveal that permanent valence state change of Yb ions from Yb{sup 3+} to Yb{sup 2+} and (Yb{sup 2+}-F{sup +}) centers have been induced by infrared femtosecond laser irradiation in Yb{sup 3+}:YAG crystal.

  13. Antisite defects and valence state of vanadium in Na3V2(PO4)3

    NASA Astrophysics Data System (ADS)

    Nizamov, F. A.; Togulev, P. N.; Abdullin, D. R.; Khantimerov, S. M.; Balaya, P.; Suleimanov, N. M.

    2016-03-01

    Electron paramagnetic resonance (EPR) studies have been performed with the aim of determining the valence state and local crystal structure of the nearest environment of vanadium ions in the initial, charged, and discharged samples of the cathode material Na x V2(PO4)3 (1 ≤ x ≤ 3). It has been found that the charged sample ( x = 1) is characterized by an intense signal corresponding to V4+ ions located in a highly distorted octahedral crystal field. An EPR signal with the g-factor close to the g-factor of the V4+ ion has also been observed in the initial sample ( x = 3), where the intensity of the resonance signal is one order of magnitude lower than that in the charged sample. It has been revealed that the resonance signal under consideration is associated with the formation of antisite defects when a part of vanadium ions are located in sites of sodium ions. It has also been found that the intensity of this signal increases after a complete charge-discharge cycle ( x = 3).

  14. Valence photoionization and resonant core excitation of ozone - experimental and theoretical study of the C˜-state of O 3+

    NASA Astrophysics Data System (ADS)

    Wiesner, K.; Fink, R. F.; Sorensen, S. L.; Andersson, M.; Feifel, R.; Hjelte, I.; Miron, C.; Naves de Brito, A.; Rosenqvist, L.; Wang, H.; Svensson, S.; Björneholm, O.

    2003-06-01

    Resonant Auger electron spectra of core excited O 3 ( OT1s -12b 11) are presented for the first time. The photoionization valence spectrum with sample purity and resolution superior to those published is presented. The first direct experimental evidence for the C˜ 2 B 1 state of O 3+ is found. Ab initio calculations of the resonant Auger electron (RAE) spectrum have been performed supporting the assignment of the C˜-state.

  15. Development of a State-Wide 3-D Seismic Tomography Velocity Model for California

    NASA Astrophysics Data System (ADS)

    Thurber, C. H.; Lin, G.; Zhang, H.; Hauksson, E.; Shearer, P.; Waldhauser, F.; Hardebeck, J.; Brocher, T.

    2007-12-01

    We report on progress towards the development of a state-wide tomographic model of the P-wave velocity for the crust and uppermost mantle of California. The dataset combines first arrival times from earthquakes and quarry blasts recorded on regional network stations and travel times of first arrivals from explosions and airguns recorded on profile receivers and network stations. The principal active-source datasets are Geysers-San Pablo Bay, Imperial Valley, Livermore, W. Mojave, Gilroy-Coyote Lake, Shasta region, Great Valley, Morro Bay, Mono Craters-Long Valley, PACE, S. Sierras, LARSE 1 and 2, Loma Prieta, BASIX, San Francisco Peninsula and Parkfield. Our beta-version model is coarse (uniform 30 km horizontal and variable vertical gridding) but is able to image the principal features in previous separate regional models for northern and southern California, such as the high-velocity subducting Gorda Plate, upper to middle crustal velocity highs beneath the Sierra Nevada and much of the Coast Ranges, the deep low-velocity basins of the Great Valley, Ventura, and Los Angeles, and a high- velocity body in the lower crust underlying the Great Valley. The new state-wide model has improved areal coverage compared to the previous models, and extends to greater depth due to the data at large epicentral distances. We plan a series of steps to improve the model. We are enlarging and calibrating the active-source dataset as we obtain additional picks from investigators and perform quality control analyses on the existing and new picks. We will also be adding data from more quarry blasts, mainly in northern California, following an identification and calibration procedure similar to Lin et al. (2006). Composite event construction (Lin et al., in press) will be carried out for northern California for use in conventional tomography. A major contribution of the state-wide model is the identification of earthquakes yielding arrival times at both the Northern California Seismic

  16. DFT-based studies on the Jahn-Teller effect in 3d hexacyanometalates with orbitally degenerate ground states.

    PubMed

    Atanasov, Mihial; Comba, Peter; Daul, Claude A; Hauser, Andreas

    2007-09-20

    The topology of the ground-state potential energy surface of M(CN)(6) with orbitally degenerate (2)T(2g) (M = Ti(III) (t(2g)(1)), Fe(III) and Mn(II) (both low-spin t(2g)(5))) and (3)T(1g) ground states (M = V(III) (t(2g)(2)), Mn(III) and Cr(II) (both low-spin t(2g)(4))) has been studied with linear and quadratic Jahn-Teller coupling models in the five-dimensional space of the epsilon(g) and tau(2g) octahedral vibrations (Tg[symbol: see text](epsilon(g)+tau(2g)) Jahn-Teller coupling problem (T(g) = (2)T(2g), (3)T(1g))). A procedure is proposed to give access to all vibronic coupling parameters from geometry optimization with density functional theory (DFT) and the energies of a restricted number of Slater determinants, derived from electron replacements within the t(2g)(1,5) or t(2g)(2,4) ground-state electronic configurations. The results show that coupling to the tau(2g) bending mode is dominant and leads to a stabilization of D(3d) structures (absolute minima on the ground-state potential energy surface) for all complexes considered, except for [Ti(CN)(6)](3-), where the minimum is of D(4h) symmetry. The Jahn-Teller stabilization energies for the D3d minima are found to increase in the order of increasing CN-M pi back-donation (Ti(III) < V(III) < Mn(III) < Fe(III) < Mn(II) < Cr(II)). With the angular overlap model and bonding parameters derived from angular distortions, which correspond to the stable D(3d) minima, the effect of configuration interaction and spin-orbit coupling on the ground-state potential energy surface is explored. This approach is used to correlate Jahn-Teller distortion parameters with structures from X-ray diffraction data. Jahn-Teller coupling to trigonal modes is also used to reinterpret the anisotropy of magnetic susceptibilities and g tensors of [Fe(CN)(6)](3-), and the (3)T(1g) ground-state splitting of [Mn(CN)(6)](3-), deduced from near-IR spectra. The implications of the pseudo Jahn-Teller coupling due to t(2g)-e(g) orbital mixing via

  17. A novel numerical flux for the 3D Euler equations with general equation of state

    NASA Astrophysics Data System (ADS)

    Toro, Eleuterio F.; Castro, Cristóbal E.; Lee, Bok Jik

    2015-12-01

    Here we extend the flux vector splitting approach recently proposed in E.F. Toro and M.E. Vázquez-Cendón (2012) [42]. The scheme was originally presented for the 1D Euler equations for ideal gases and its extension presented in this paper is threefold: (i) we solve the three-dimensional Euler equations on general meshes; (ii) we use a general equation of state; and (iii) we achieve high order of accuracy in both space and time through application of the semi-discrete ADER methodology on general meshes. The resulting methods are systematically assessed for accuracy, robustness and efficiency on a carefully selected suite of test problems. Formal high accuracy is assessed through convergence rates studies for schemes of up to 4th order of accuracy in both space and time on unstructured meshes.

  18. Suppression law of quantum states in a 3D photonic fast Fourier transform chip.

    PubMed

    Crespi, Andrea; Osellame, Roberto; Ramponi, Roberta; Bentivegna, Marco; Flamini, Fulvio; Spagnolo, Nicolò; Viggianiello, Niko; Innocenti, Luca; Mataloni, Paolo; Sciarrino, Fabio

    2016-01-01

    The identification of phenomena able to pinpoint quantum interference is attracting large interest. Indeed, a generalization of the Hong-Ou-Mandel effect valid for any number of photons and optical modes would represent an important leap ahead both from a fundamental perspective and for practical applications, such as certification of photonic quantum devices, whose computational speedup is expected to depend critically on multi-particle interference. Quantum distinctive features have been predicted for many particles injected into multimode interferometers implementing the Fourier transform over the optical modes. Here we develop a scalable approach for the implementation of the fast Fourier transform algorithm using three-dimensional photonic integrated interferometers, fabricated via femtosecond laser writing technique. We observe the suppression law for a large number of output states with four- and eight-mode optical circuits: the experimental results demonstrate genuine quantum interference between the injected photons, thus offering a powerful tool for diagnostic of photonic platforms. PMID:26843135

  19. Suppression law of quantum states in a 3D photonic fast Fourier transform chip

    PubMed Central

    Crespi, Andrea; Osellame, Roberto; Ramponi, Roberta; Bentivegna, Marco; Flamini, Fulvio; Spagnolo, Nicolò; Viggianiello, Niko; Innocenti, Luca; Mataloni, Paolo; Sciarrino, Fabio

    2016-01-01

    The identification of phenomena able to pinpoint quantum interference is attracting large interest. Indeed, a generalization of the Hong–Ou–Mandel effect valid for any number of photons and optical modes would represent an important leap ahead both from a fundamental perspective and for practical applications, such as certification of photonic quantum devices, whose computational speedup is expected to depend critically on multi-particle interference. Quantum distinctive features have been predicted for many particles injected into multimode interferometers implementing the Fourier transform over the optical modes. Here we develop a scalable approach for the implementation of the fast Fourier transform algorithm using three-dimensional photonic integrated interferometers, fabricated via femtosecond laser writing technique. We observe the suppression law for a large number of output states with four- and eight-mode optical circuits: the experimental results demonstrate genuine quantum interference between the injected photons, thus offering a powerful tool for diagnostic of photonic platforms. PMID:26843135

  20. 3D interactive tractography-informed resting-state fMRI connectivity

    PubMed Central

    Chamberland, Maxime; Bernier, Michaël; Fortin, David; Whittingstall, Kevin; Descoteaux, Maxime

    2015-01-01

    In the past decade, the fusion between diffusion magnetic resonance imaging (dMRI) and functional magnetic resonance imaging (fMRI) has opened the way for exploring structure-function relationships in vivo. As it stands, the common approach usually consists of analysing fMRI and dMRI datasets separately or using one to inform the other, such as using fMRI activation sites to reconstruct dMRI streamlines that interconnect them. Moreover, given the large inter-individual variability of the healthy human brain, it is possible that valuable information is lost when a fixed set of dMRI/fMRI analysis parameters such as threshold values are assumed constant across subjects. By allowing one to modify such parameters while viewing the results in real-time, one can begin to fully explore the sensitivity of structure-function relations and how they differ across brain areas and individuals. This is especially important when interpreting how structure-function relationships are altered in patients with neurological disorders, such as the presence of a tumor. In this study, we present and validate a novel approach to achieve this: First, we present an interactive method to generate and visualize tractography-driven resting-state functional connectivity, which reduces the bias introduced by seed size, shape and position. Next, we demonstrate that structural and functional reconstruction parameters explain a significant portion of intra- and inter-subject variability. Finally, we demonstrate how our proposed approach can be used in a neurosurgical planning context. We believe this approach will promote the exploration of structure-function relationships in a subject-specific aspect and will open new opportunities for connectomics. PMID:26321901

  1. Experimental investigation of photoionization cross section for the 3d 2D excited states of lithium and sodium

    NASA Astrophysics Data System (ADS)

    Nadeem, Ali; Shah, Mehmood; Shahzada, Shaista; Ahmed, Mushtaq; Haq, Sami-ul-

    2013-09-01

    We report experimentally measured photoionization cross sections for the 3 d 2D excited states of lithium and sodium at first ionization threshold. The experiments were performed using two dye lasers simultaneously pumped by the second harmonic of a Nd:YAG laser. The vapor contentment and the detection system was a thermionic diode ion detector operating in a space charge limited mode. Photoionization cross sections of the excited states were deduced from the dependence of ion signal intensity on the ionizing laser energies as 19 ± 3 Mb and 21.5 ± 3.5 Mb for lithium and sodium respectively, which are in good agreement with the previously computed theoretical results.

  2. Photodissociation of carbon dioxide in singlet valence electronic states. II. Five state absorption spectrum and vibronic assignment

    NASA Astrophysics Data System (ADS)

    Grebenshchikov, Sergy Yu.

    2013-06-01

    The absorption spectrum of CO2 in the wavelength range 120-160 nm is analyzed by means of quantum mechanical calculations performed using vibronically coupled potential energy surfaces of five singlet valence electronic states and the coordinate dependent transition dipole moment vectors. The thermally averaged spectrum, calculated for T = 190 K via Boltzmann averaging of optical transitions from many initial rotational states, accurately reproduces the experimental spectral envelope, consisting of a low and a high energy band, the positions of the absorption maxima, their FWHMs, peak intensities, and frequencies of diffuse structures in each band. Contributions of the vibronic interactions due to Renner-Teller coupling, conical intersections, and the Herzberg-Teller effect are isolated and the calculated bands are assigned in terms of adiabatic electronic states. Finally, diffuse structures in the calculated bands are vibronically assigned using wave functions of the underlying resonance states. It is demonstrated that the main progressions in the high energy band correspond to consecutive excitations of the pseudorotational motion along the closed loop of the CI seam, and progressions differ in the number of nodes along the radial mode perpendicular to the closed seam. Irregularity of the diffuse peaks in the low energy band is interpreted as a manifestation of the carbene-type "cyclic" OCO minimum.

  3. The nanoscale structure and unoccupied valence electronic states in FeSe1-xTex chalcogenides probed by X-ray absorption measurements.

    PubMed

    Hacisalihoglu, M Y; Paris, E; Joseph, B; Yanmaz, E; Saini, N L

    2015-07-21

    We have studied the nanoscale structure and unoccupied electronic states in FeSe1-xTex by a combined analysis of Se K, Te L1 and Fe K-edges X-ray absorption measurements. Extended X-ray absorption fine structure (EXAFS) results show that iron-chalcogen (Fe-Se and Fe-Te) distances in ternary FeSe1-xTex are similar to those measured for binary FeSe and FeTe. The local Fe-Se/Te distances determined by different absorption edges fit well in the characteristic Z-plot of random alloys, providing unambiguous support to the inhomogeneous nanoscale structure of the ternary FeSe1-xTex system. X-ray absorption near-edge structure (XANES) spectra reveal a gradual evolution of the unoccupied valence electronic states as a function of Te-substitution in FeSe1-xTex. The Fe 3d-Se 4p/Te 5p hybridization is found to decrease with Te-substitution, accompanied by an increase in unoccupied Se 4p states and a decrease in unoccupied Te 5p states. The results are discussed in the frame of local inhomogeneity in the FeSe1-xTex system driven by random alloying of Se/Te atoms. PMID:26099493

  4. Steady-state first pass perfusion (SSFPP): A new approach to 3D first-pass myocardial perfusion imaging

    PubMed Central

    Giri, Shivraman; Xue, Hui; Maiseyeu, Andrei; Kroeker, Randall; Rajagopalan, Sanjay; White, Richard D.; Zuehlsdorff, Sven; Raman, Subha V.; Simonetti, Orlando P

    2013-01-01

    Purpose To describe and characterize a new approach to first-pass myocardial perfusion utilizing balanced steady-state free precession acquisition without the use of saturation recovery or other magnetization preparation. Theory The balanced steady-state free precession sequence is inherently sensitive to contrast agent enhancement of the myocardium. This sensitivity can be used to advantage in first-pass myocardial perfusion imaging by eliminating the need for magnetization preparation. Methods Bloch equation simulations, phantom experiments, and in vivo 2D imaging studies were run comparing the proposed technique with three other methods: saturation recovery spoiled gradient echo, saturation recovery steady-state free precession, and steady-state spoiled gradient echo without magnetization preparation. Additionally, an acquisition-reconstruction strategy for 3D perfusion imaging is proposed and initial experience with this approach is demonstrated in healthy subjects and one patient. Results Phantom experiments verified simulation results showing the sensitivity of the balanced steady-state free precession sequence to contrast agent enhancement in solid tissue is similar to that of magnetization-prepared acquisitions. Images acquired in normal volunteers showed the proposed technique provided superior signal and signal-to-noise ratio compared with all other sequences at baseline as well as post-contrast. Conclusion A new approach to first-pass myocardial perfusion is presented that obviates the need for magnetization preparation and provides high signal-to-noise ratio. PMID:23440705

  5. Simultaneous ionization-excitation of helium to the 3s, 3p, and 3d states of He+

    NASA Astrophysics Data System (ADS)

    Zatsarinny, Oleg; Bartschat, Klaus

    2015-05-01

    We extended our work on ionization of helium with simultaneous excitation to the n = 2 states to include the n = 3 manifold of the residual ion. This requires the inclusion of pseudo-states constructed on the 3s, 3p, and 3d ionic core. We used a parallelized version of the B-spline R-matrix (BSR) package to perform a calculation with 1,254 target states, resulting in up to 3,027 coupled channels and matrices of rank up to 200,000 to be diagonalized. The triple-differential cross section (TDCS) was extracted by the projection method. We obtain excellent agreement with experiment regarding the angular dependence of the TDCS for all kinematical situations available for comparison. Some discrepancies remain for the absolute magnitude. Results for the n = 2 states are stable and closely agree with previous predictions. Work supported by the United States National Science Foundation under grants No. PHY-1212450, PHY-1430245 and the XSEDE allocation PHY-090031.

  6. Preliminary Pseudo 3-D Imagery of the State Line Fault, Stewart Valley, Nevada Using Seismic Reflection Data

    NASA Astrophysics Data System (ADS)

    Saldaña, S. C.; Snelson, C. M.; Taylor, W. J.; Beachly, M.; Cox, C. M.; Davis, R.; Stropky, M.; Phillips, R.; Robins, C.; Cothrun, C.

    2007-12-01

    The Pahrump Fault system is located in the central Basin and Range region and consists of three main fault zones: the Nopah range front fault zone, the State Line fault zone and the Spring Mountains range fault zone. The State Line fault zone is made up north-west trending dextral strike-slip faults that run parallel to the Nevada- California border. Previous geologic and geophysical studies conducted in and around Stewart Valley, located ~90 km from Las Vegas, Nevada, have constrained the location of the State Line fault zone to within a few kilometers. The goals of this project were to use seismic methods to definitively locate the northwestern most trace of the State Line fault and produce pseudo 3-D seismic cross-sections that can then be used to characterize the subsurface geometry and determine the slip of the State Line fault. During July 2007, four seismic lines were acquired in Stewart Valley: two normal and two parallel to the mapped traces of the State Line fault. Presented here are preliminary results from the two seismic lines acquired normal to the fault. These lines were acquired utilizing a 144-channel geode system with each of the 4.5 Hz vertical geophones set out at 5 m intervals to produce a 595 m long profile to the north and a 715 m long profile to the south. The vibroseis was programmed to produce an 8 s linear sweep from 20-160 Hz. These data returned excellent signal to noise and reveal subsurface lithology that will subsequently be used to resolve the subsurface geometry of the State Line fault. This knowledge will then enhance our understanding of the evolution of the State Line fault. Knowing how the State Line fault has evolved gives insight into the stick-slip fault evolution for the region and may improve understanding of how stress has been partitioned from larger strike-slip systems such as the San Andreas fault.

  7. Location and valence state of strontium cations on the framework of a carbon dioxide selective porous silicoaluminophosphate

    SciTech Connect

    Zhang, Li; Rivera-Ramos, Milton E.; Hernández-Maldonado, Arturo J.

    2014-05-28

    A Sr{sup 2+}-SAPO-34 material that displays superior CO2 adsorption selectivity and capacity was characterized via XPS and UV-vis spectroscopy to elucidate the valence state of strontium cations and framework silicon environment. Most importantly, the location of the strontium has been estimated from a Rietveld refinement analysis of synchrotron diffraction data. The XPS analysis indicated that the apparent valence state of the strontium is less than 2, an indication of its interaction with the large anionic framework. Furthermore, UV-vis tests pointed to changes in the silicon environment, plausibly related to this valence state or framework faulting. For the refinement, the analysis found that strontium occupied two unique sites: a site Sr1 slightly displaced from six-membered rings and a site Sr2 positioned at the top or bottom of the eight-membered rings. The latter position favors the interaction of the alkaline earth metal with CO{sub 2}, probably resulting in an enhanced electric field-quadrupole moment interaction.

  8. Revealing Correlation of Valence State with Nanoporous Structure in Cobalt Catalyst Nanoparticles by In situ Environmental TEM

    SciTech Connect

    Xin H. L.; Diaz R.; Pach, E.A.; Stach, E.A.; Salmeron, M.; Zheng, H.

    2012-05-01

    Simultaneously probing the electronic structure and morphology of materials at the nanometer or atomic scale while a chemical reaction proceeds is significant for understanding the underlying reaction mechanisms and optimizing a materials design. This is especially important in the study of nanoparticle catalysts, yet such experiments have rarely been achieved. Utilizing an environmental transmission electron microscope equipped with a differentially pumped gas cell, we are able to conduct nanoscopic imaging and electron energy loss spectroscopy in situ for cobalt catalysts under reaction conditions. Studies reveal quantitative correlation of the cobalt valence states with the particles' nanoporous structures. The in situ experiments were performed on nanoporous cobalt particles coated with silica, while a 15 mTorr hydrogen environment was maintained at various temperatures (300-600 C). When the nanoporous particles were reduced, the valence state changed from cobalt oxide to metallic cobalt and concurrent structural coarsening was observed. In situ mapping of the valence state and the corresponding nanoporous structures allows quantitative analysis necessary for understanding and improving the mass activity and lifetime of cobalt-based catalysts, for example, for Fischer-Tropsch synthesis that converts carbon monoxide and hydrogen into fuels, and uncovering the catalyst optimization mechanisms.

  9. Valence and Conduction Band Densities of States of Metal Halide Perovskites: A Combined Experimental–Theoretical Study

    PubMed Central

    2016-01-01

    We report valence and conduction band densities of states measured via ultraviolet and inverse photoemission spectroscopies on three metal halide perovskites, specifically methylammonium lead iodide and bromide and cesium lead bromide (MAPbI3, MAPbBr3, CsPbBr3), grown at two different institutions on different substrates. These are compared with theoretical densities of states (DOS) calculated via density functional theory. The qualitative agreement achieved between experiment and theory leads to the identification of valence and conduction band spectral features, and allows a precise determination of the position of the band edges, ionization energy and electron affinity of the materials. The comparison reveals an unusually low DOS at the valence band maximum (VBM) of these compounds, which confirms and generalizes previous predictions of strong band dispersion and low DOS at the MAPbI3 VBM. This low DOS calls for special attention when using electron spectroscopy to determine the frontier electronic states of lead halide perovskites. PMID:27364125

  10. Valence and Conduction Band Densities of States of Metal Halide Perovskites: A Combined Experimental-Theoretical Study.

    PubMed

    Endres, James; Egger, David A; Kulbak, Michael; Kerner, Ross A; Zhao, Lianfeng; Silver, Scott H; Hodes, Gary; Rand, Barry P; Cahen, David; Kronik, Leeor; Kahn, Antoine

    2016-07-21

    We report valence and conduction band densities of states measured via ultraviolet and inverse photoemission spectroscopies on three metal halide perovskites, specifically methylammonium lead iodide and bromide and cesium lead bromide (MAPbI3, MAPbBr3, CsPbBr3), grown at two different institutions on different substrates. These are compared with theoretical densities of states (DOS) calculated via density functional theory. The qualitative agreement achieved between experiment and theory leads to the identification of valence and conduction band spectral features, and allows a precise determination of the position of the band edges, ionization energy and electron affinity of the materials. The comparison reveals an unusually low DOS at the valence band maximum (VBM) of these compounds, which confirms and generalizes previous predictions of strong band dispersion and low DOS at the MAPbI3 VBM. This low DOS calls for special attention when using electron spectroscopy to determine the frontier electronic states of lead halide perovskites. PMID:27364125

  11. Task-Independent Cognitive State Transition Detection From Cortical Neurons During 3-D Reach-to-Grasp Movements.

    PubMed

    Kang, Xiaoxu; Sarma, Sridevi V; Santaniello, Sabato; Schieber, Marc; Thakor, Nitish V

    2015-07-01

    Complex reach, grasp, and object manipulation tasks require sequential, temporal coordination of movements by neurons in the brain. Detecting cognitive state transitions associated with motor tasks from sequential neural data is pivotal in rehabilitation engineering. The cognitive state detectors proposed thus far rely on task-dependent (TD) models, i.e., the detection strategy exploits a priori knowledge of the movement tasks to determine the actual cognitive states, regardless of whether these cognitive states actually depend on the movement tasks or not. This approach, however, is not viable when the tasks are not known a priori (e.g., the subject performs many different tasks) or there is paucity of neural data for each task. Moreover, some cognitive states (e.g., holding) may be invariant to the movement tasks performed. Here we propose a real-time (online) task-independent (TI) framework to detect cognitive state transitions from spike trains and kinematic measurements. We constructed this detection framework using 452 single-unit neural spike recordings collected via multielectrode arrays in the premotor dorsal and ventral (PMd and PMv) cortical regions of two nonhuman primates performing 3-D multiobject reach-to-grasp tasks. We used the detection latency and accuracy of state transitions to measure the performance. We find that, in both online and offline detection modes: 1) TI models have significantly better performance than corresponding TD models when using neuronal data alone and 2) during movements, the addition of the kinematics history to the TI models further improves detection performance. These findings suggest that TI models may accurately detect cognitive state transitions. Our framework could pave the way for a TI control of neural prosthesis from cortical neurons. PMID:25643410

  12. Interactions of Pluronic nanocarriers with 2D and 3D cell cultures: Effects of PEO block length and aggregation state.

    PubMed

    Arranja, Alexandra; Denkova, Antonia G; Morawska, Karolina; Waton, Gilles; van Vlierberghe, Sandra; Dubruel, Peter; Schosseler, François; Mendes, Eduardo

    2016-02-28

    This work reveals how the physicochemical properties of Pluronic block copolymers influence significantly their interactions with cancer cells, whether in monolayer or spheroid cultures, and how different clinical applications can be foreseen. Two-dimensional (2D) and three-dimensional (3D) cell culture models were used to investigate the interactions of Pluronic carriers with different PEO block length and aggregation state (unimers versus cross-linked micelles) in HeLa and U87 cancer cells. Stabilized micelles of Pluronic P94 or F127 were obtained by polymerization of a crosslinking agent in the micelles hydrophobic core. Nanocarriers were functionalized with a fluorescent probe for visualization, and with a chelator for radiolabeling with Indium-111 and gamma-quantification. The 2D cell models revealed that the internalization pathways and ultimate cellular localization of the Pluronic nanocarriers depended largely on both the PEO block size and aggregation state of the copolymers. The smaller P94 unimers with an average radius of 2.1nm and the shortest PEO block mass (1100gmol(-1)) displayed the highest cellular uptake and retention. 3D tumor spheroids were used to assess the penetration capacity and toxicity potential of the nanocarriers. Results showed that cross-linked F127 micelles were more efficiently delivered across the tumor spheroids, and the penetration depth depends mostly on the transcellular transport of the carriers. The Pluronic P94-based carriers with the shortest PEO block length induced spheroid toxicity, which was significantly influenced by the spheroid cellular type. PMID:26792572

  13. A hybrid 3D-Var data assimilation scheme for joint state and parameter estimation: application to morphodynamic modelling

    NASA Astrophysics Data System (ADS)

    Smith, P.; Nichols, N. K.; Dance, S.

    2011-12-01

    Data assimilation is typically used to provide initial conditions for state estimation; combining model predictions with observational data to produce an updated model state that most accurately characterises the true system state whilst keeping the model parameters fixed. This updated model state is then used to initiate the next model forecast. However, even with perfect initial data, inaccurate representation of model parameters will lead to the growth of model error and therefore affect the ability of our model to accurately predict the true system state. A key question in model development is how to estimate parameters a priori. In most cases, parameter estimation is addressed as a separate issue to state estimation and model calibration is performed offline in a separate calculation. Here we demonstrate how, by employing the technique of state augmentation, it is possible to use data assimilation to estimate uncertain model parameters concurrently with the model state as part of the assimilation process. We present a novel hybrid data assimilation algorithm developed for application to parameter estimation in morphodynamic models. The new approach is based on a computationally inexpensive 3D-Var scheme, where the specification of the covariance matrices is crucial for success. For combined state-parameter estimation, it is particularly important that the cross-covariances between the parameters and the state are given a good a priori specification. Early experiments indicated that in order to yield reliable estimates of the true parameters, a flow dependent representation of the state-parameter cross covariances is required. By combining ideas from 3D-Var and the extended Kalman filter we have developed a novel hybrid assimilation scheme that captures the flow dependent nature of the state-parameter cross covariances without the computational expense of explicitly propagating the full system covariance matrix. We will give details of the formulation of this

  14. Direct determination of europium valence state by XANES in extraterrestrial merrillite: Implications for REE crystal chemistry and martian magmatism

    SciTech Connect

    Shearer, C.K.; Papike, J.J.; Burger, P.V.; Sutton, S.R.; McCubbin, F.M.; Newville, M.

    2012-03-15

    The relative proportion of divalent and trivalent Eu has proven to be a useful tool for estimating f{sub O{sub 2}} in various magmatic systems. However, in most cases, direct determination of the Eu valence state has not been made. In this study, direct determination of Eu valence by XANES and REE abundance in merrillite provide insights into the crystal chemistry of these phosphates and their ability to record conditions of magmatism. Merrillite strongly prefers Eu{sup 3+} to Eu{sup 2+}, with the average valence state of Eu ranging between 2.9 and 3 over approximately six orders of magnitude in f{sub O{sub 2}}. The dramatic shift in the REE patterns of merrillite in martian basaltic magmas, from highly LREE-depleted to LREE-enriched, parallels many other trace element and isotopic variations and reflects the sources for these magmas. The behavior of REE in the merrillite directly reflects the relationship between the eightfold-coordinated Ca1 site and adjacent sixfold Na and tetrahedral P sites that enables charge balancing through coupled substitutions.

  15. From microscales to macroscales in 3D: selfconsistent equation of state for supernova and neutron star models

    NASA Astrophysics Data System (ADS)

    Newton, W. G.; Stone, J. R.; Mezzacappa, A.

    2006-09-01

    First results from a fully self-consistent, temperature-dependent equation of state that spans the density range of neutron stars and supernova cores above neutron drip density are presented. The equation of state (EoS) is calculated using a mean-field Hartree-Fock method in three dimensions (3D). The nuclear interaction is represented by the phenomenological Skyrme model in this work, but the EoS can be obtained in our framework for any suitable form of the nucleon-nucleon effective interaction. The scheme we employ naturally allows effects such as (i) neutron drip, which results in an external neutron gas, (ii) the variety of exotic nuclear shapes expected for extremely neutron heavy nuclei, and (iii) the subsequent dissolution of these nuclei into nuclear matter. In this way, the equation of state is calculated across phase transitions without recourse to interpolation techniques between density regimes described by different physical models. EoS tables are calculated in the wide range of densities, temperature and proton/neutron ratios on the ORNL NCCS XT3, using up to 2000 processors simultaneously.

  16. Coexistence of bound and virtual-bound states in shallow-core to valence x-ray spectroscopies

    NASA Astrophysics Data System (ADS)

    Sen Gupta, Subhra; Bradley, J. A.; Haverkort, M. W.; Seidler, G. T.; Tanaka, A.; Sawatzky, G. A.

    2011-08-01

    With the example of the non-resonant inelastic x-ray scattering (NIXS) at the O45 edges (5d→5f) of the actinides, we develop the theory for shallow-core to valence excitations, where the multiplet spread is larger than the core-hole attraction, such as if the core and valence orbitals have the same principal quantum number. This involves very strong final state configuration interaction (CI), which manifests itself as huge reductions in the Slater-Condon integrals, needed to explain the spectral shapes within a simple renormalized atomic multiplet theory. But more importantly, this results in a cross-over from bound (excitonic) to virtual-bound excited states with increasing energy, within the same core-valance multiplet structure, and in large differences between the dipole and high-order multipole transitions, as observed in NIXS. While the bound states (often higher multipole allowed) can still be modeled using local cluster-like models, the virtual-bound resonances (often dipole-allowed) cannot be interpreted within such local approaches. This is in stark contrast to the more familiar core-valence transitions between different principal quantum number shells, where all the final excited states almost invariably form bound core-hole excitons and can be modeled using local approaches. The possibility of observing giant multipole resonances for systems with high angular momentum ground states is also predicted. The theory is important to obtain ground state information from core-level x-ray spectroscopies of strongly correlated transition metal, rare-earth, and actinide systems.

  17. A 3D in vitro model to explore the inter-conversion between epithelial and mesenchymal states during EMT and its reversion.

    PubMed

    Bidarra, S J; Oliveira, P; Rocha, S; Saraiva, D P; Oliveira, C; Barrias, C C

    2016-01-01

    Epithelial-to-mesenchymal transitions (EMT) are strongly implicated in cancer dissemination. Intermediate states, arising from inter-conversion between epithelial (E) and mesenchymal (M) states, are characterized by phenotypic heterogeneity combining E and M features and increased plasticity. Hybrid EMT states are highly relevant in metastatic contexts, but have been largely neglected, partially due to the lack of physiologically-relevant 3D platforms to study them. Here we propose a new in vitro model, combining mammary E cells with a bioengineered 3D matrix, to explore phenotypic and functional properties of cells in transition between E and M states. Optimized alginate-based 3D matrices provided adequate 3D microenvironments, where normal epithelial morphogenesis was recapitulated, with formation of acini-like structures, similar to those found in native mammary tissue. TGFβ1-driven EMT in 3D could be successfully promoted, generating M-like cells. TGFβ1 removal resulted in phenotypic switching to an intermediate state (RE cells), a hybrid cell population expressing both E and M markers at gene/protein levels. RE cells exhibited increased proliferative/clonogenic activity, as compared to M cells, being able to form large colonies containing cells with front-back polarity, suggesting a more aggressive phenotype. Our 3D model provides a powerful tool to investigate the role of the microenvironment on metastable EMT stages. PMID:27255191

  18. A 3D in vitro model to explore the inter-conversion between epithelial and mesenchymal states during EMT and its reversion

    PubMed Central

    Bidarra, S. J.; Oliveira, P.; Rocha, S.; Saraiva, D. P.; Oliveira, C.; Barrias, C. C.

    2016-01-01

    Epithelial-to-mesenchymal transitions (EMT) are strongly implicated in cancer dissemination. Intermediate states, arising from inter-conversion between epithelial (E) and mesenchymal (M) states, are characterized by phenotypic heterogeneity combining E and M features and increased plasticity. Hybrid EMT states are highly relevant in metastatic contexts, but have been largely neglected, partially due to the lack of physiologically-relevant 3D platforms to study them. Here we propose a new in vitro model, combining mammary E cells with a bioengineered 3D matrix, to explore phenotypic and functional properties of cells in transition between E and M states. Optimized alginate-based 3D matrices provided adequate 3D microenvironments, where normal epithelial morphogenesis was recapitulated, with formation of acini-like structures, similar to those found in native mammary tissue. TGFβ1-driven EMT in 3D could be successfully promoted, generating M-like cells. TGFβ1 removal resulted in phenotypic switching to an intermediate state (RE cells), a hybrid cell population expressing both E and M markers at gene/protein levels. RE cells exhibited increased proliferative/clonogenic activity, as compared to M cells, being able to form large colonies containing cells with front-back polarity, suggesting a more aggressive phenotype. Our 3D model provides a powerful tool to investigate the role of the microenvironment on metastable EMT stages. PMID:27255191

  19. Flexible, solid-state, ion-conducting membrane with 3D garnet nanofiber networks for lithium batteries.

    PubMed

    Fu, Kun Kelvin; Gong, Yunhui; Dai, Jiaqi; Gong, Amy; Han, Xiaogang; Yao, Yonggang; Wang, Chengwei; Wang, Yibo; Chen, Yanan; Yan, Chaoyi; Li, Yiju; Wachsman, Eric D; Hu, Liangbing

    2016-06-28

    Beyond state-of-the-art lithium-ion battery (LIB) technology with metallic lithium anodes to replace conventional ion intercalation anode materials is highly desirable because of lithium's highest specific capacity (3,860 mA/g) and lowest negative electrochemical potential (∼3.040 V vs. the standard hydrogen electrode). In this work, we report for the first time, to our knowledge, a 3D lithium-ion-conducting ceramic network based on garnet-type Li6.4La3Zr2Al0.2O12 (LLZO) lithium-ion conductor to provide continuous Li(+) transfer channels in a polyethylene oxide (PEO)-based composite. This composite structure further provides structural reinforcement to enhance the mechanical properties of the polymer matrix. The flexible solid-state electrolyte composite membrane exhibited an ionic conductivity of 2.5 × 10(-4) S/cm at room temperature. The membrane can effectively block dendrites in a symmetric Li | electrolyte | Li cell during repeated lithium stripping/plating at room temperature, with a current density of 0.2 mA/cm(2) for around 500 h and a current density of 0.5 mA/cm(2) for over 300 h. These results provide an all solid ion-conducting membrane that can be applied to flexible LIBs and other electrochemical energy storage systems, such as lithium-sulfur batteries. PMID:27307440

  20. 3D Band Diagram and Photoexcitation of 2D–3D Semiconductor Heterojunctions

    DOE PAGESBeta

    Li, Bo; Shi, Gang; Lei, Sidong; He, Yongmin; Gao, Weilu; Gong, Yongji; Ye, Gonglan; Zhou, Wu; Keyshar, Kunttal; Hao, Ji; et al

    2015-08-17

    The emergence of a rich variety of two-dimensional (2D) layered semiconductor materials has enabled the creation of atomically thin heterojunction devices. Junctions between atomically thin 2D layers and 3D bulk semiconductors can lead to junctions that are fundamentally electronically different from the covalently bonded conventional semiconductor junctions. In this paper, we propose a new 3D band diagram for the heterojunction formed between n-type monolayer MoS2 and p-type Si, in which the conduction and valence band-edges of the MoS2 monolayer are drawn for both stacked and in-plane directions. This new band diagram helps visualize the flow of charge carriers inside themore » device in a 3D manner. Our detailed wavelength-dependent photocurrent measurements fully support the diagrams and unambiguously show that the band alignment is type I for this 2D-3D heterojunction. Photogenerated electron–hole pairs in the atomically thin monolayer are separated and driven by an external bias and control the “on/off” states of the junction photodetector device. Finally, two photoresponse regimes with fast and slow relaxation are also revealed in time-resolved photocurrent measurements, suggesting the important role played by charge trap states.« less

  1. 3D Band Diagram and Photoexcitation of 2D–3D Semiconductor Heterojunctions

    SciTech Connect

    Li, Bo; Shi, Gang; Lei, Sidong; He, Yongmin; Gao, Weilu; Gong, Yongji; Ye, Gonglan; Zhou, Wu; Keyshar, Kunttal; Hao, Ji; Dong, Pei; Ge, Liehui; Lou, Jun; Kono, Junichiro; Vajtai, Robert; Ajayan, Pulickel M.

    2015-08-17

    The emergence of a rich variety of two-dimensional (2D) layered semiconductor materials has enabled the creation of atomically thin heterojunction devices. Junctions between atomically thin 2D layers and 3D bulk semiconductors can lead to junctions that are fundamentally electronically different from the covalently bonded conventional semiconductor junctions. In this paper, we propose a new 3D band diagram for the heterojunction formed between n-type monolayer MoS2 and p-type Si, in which the conduction and valence band-edges of the MoS2 monolayer are drawn for both stacked and in-plane directions. This new band diagram helps visualize the flow of charge carriers inside the device in a 3D manner. Our detailed wavelength-dependent photocurrent measurements fully support the diagrams and unambiguously show that the band alignment is type I for this 2D-3D heterojunction. Photogenerated electron–hole pairs in the atomically thin monolayer are separated and driven by an external bias and control the “on/off” states of the junction photodetector device. Finally, two photoresponse regimes with fast and slow relaxation are also revealed in time-resolved photocurrent measurements, suggesting the important role played by charge trap states.

  2. Deduction of the chemical state and the electronic structure of Nd{sub 2}Fe{sub 14}B compound from X-ray photoelectron spectroscopy core-level and valence-band spectra

    SciTech Connect

    Wang, Jing; Liang, Le; Zhang, Lanting E-mail: lmsun@sjtu.edu.cn; Sun, Limin E-mail: lmsun@sjtu.edu.cn; Hirano, Shinichi

    2014-10-28

    Characterization of chemical state and electronic structure of the technologically important Nd{sub 2}Fe{sub 14}B compound is attractive for understanding the physical nature of its excellent magnetic properties. X-ray photoelectron spectroscopy (XPS) study of such rare-earth compound is important and also challenging due to the easy oxidation of surface and small photoelectron cross-sections of rare-earth 4f electrons and B 2p electrons, etc. Here, we reported an investigation based on XPS spectra of Nd{sub 2}Fe{sub 14}B compound as a function of Ar ion sputtering time. The chemical state of Fe and that of B in Nd{sub 2}Fe{sub 14}B compound can be clearly determined to be 0 and −3, respectively. The Nd in Nd{sub 2}Fe{sub 14}B compound is found to have the chemical state of close to +3 instead of +3 as compared with the Nd in Nd{sub 2}O{sub 3}. In addition, by comparing the valence-band spectrum of Nd{sub 2}Fe{sub 14}B compound to that of the pure Fe, the contributions from Nd, Fe, and B to the valence-band structure of Nd{sub 2}Fe{sub 14}B compound is made more clear. The B 2p states and B 2s states are identified to be at ∼11.2 eV and ∼24.6 eV, respectively, which is reported for the first time. The contribution from Nd 4f states can be identified both in XPS core-level spectrum and XPS valence-band spectrum. Although Nd 4f states partially hybridize with Fe 3d states, Nd 4f states are mainly localized in Nd{sub 2}Fe{sub 14}B compound.

  3. Radiochromic 3D Detectors

    NASA Astrophysics Data System (ADS)

    Oldham, Mark

    2015-01-01

    Radiochromic materials exhibit a colour change when exposed to ionising radiation. Radiochromic film has been used for clinical dosimetry for many years and increasingly so recently, as films of higher sensitivities have become available. The two principle advantages of radiochromic dosimetry include greater tissue equivalence (radiologically) and the lack of requirement for development of the colour change. In a radiochromic material, the colour change arises direct from ionising interactions affecting dye molecules, without requiring any latent chemical, optical or thermal development, with important implications for increased accuracy and convenience. It is only relatively recently however, that 3D radiochromic dosimetry has become possible. In this article we review recent developments and the current state-of-the-art of 3D radiochromic dosimetry, and the potential for a more comprehensive solution for the verification of complex radiation therapy treatments, and 3D dose measurement in general.

  4. Intermediate-spin state of a 3d ion in the octahedral environment and generalization of the Tanabe-Sugano diagrams.

    PubMed

    Lamonova, Karina V; Zhitlukhina, Elena S; Babkin, Roman Yu; Orel, Sergei M; Ovchinnikov, Sergei G; Pashkevich, Yurii G

    2011-11-24

    Electronic spectra of 3d(n) transition ions in an octahedral ligand surrounding have been studied using the modified crystal field approach (MCFA), which includes a relativistic spin-orbital interaction. A new variable parameter, the effective nuclear charge Z(eff) of a metal ion that allows accounting implicitly the covalence degree of a metal-ligand bond, has been introduced. Energy diagrams similar to the Tanabe-Sugano ones have been calculated. To study the spin state evolution of the metal ion in an arbitrary distorted octahedral complex, a spin state diagram approach has been proposed. The intermediate-spin (IS) state problem for 3d(4), 3d(5), and 3d(6) metal ions has been considered and conditions for the IS state realization have been formulated. The regions of the mixed high-, intermediate-, and low-spin states have been found. The possibility of coexistence of the different spin states of 3d ions in the octahedral complexes has been considered using crystallography data for the YBaCo(2)O(5.5) layered cobaltite. PMID:21936547

  5. Electronic Spin and Valence States of Iron in the Al-rich NAL and CF Phases in the Subducted Slabs

    NASA Astrophysics Data System (ADS)

    Wu, Y.; Wu, X.; Lin, J. F.; Yoshino, T.; McCammon, C. A.; Xiao, Y.; Prakapenka, V.

    2014-12-01

    The New hexagonal aluminous (NAL) phase and orthorhombic calcium-ferrite (CF) type phase are believed to be the main hosts of aluminum (with ~ 20 wt% proportion) in the MORB composition in the Earth's lower mantle. It has been proposed that the NAL and CF phases contains approximately 12 mol% Fe. Most of previous studies on the NAL and CF phases have focused on their crystal structural stability and transitions1,2, while, their spin and valence states of Fe as well as the Fe effects on the behavior of Al-rich phases remain unclear. The spin transition of Fe-bearing phase in the lower mantle has significant effects on density, compressibility, elasticity and sound velocity of the host mineral, and that is important to understand the geophysics and geodynamics of the Earth's mantle3. Here we have investigated the iron spin and valence states of the NAL and CF phases up to 85 GPa via high-pressure nuclear forward scattering and X-ray diffraction measurements. Our results show that both Fe2+ and Fe3+ valence states exist in the NAL phase structure, and that Fe3+ in the octhahedral site undergoes a high-spin to low-spin transition at approximately 30 GPa. X-ray diffraction results further reveal the effects of the spin and valence states on the equation of state parameters of the NAL phase. These results are applied to understand how the spin transition affects the behavior of the NAL and CF phases in the subducted slabs in the Earth's lower mantle. And the spin transition of Al-rich phases may play a significant role on the subduction behavior of the slabs in the Earth's lower mantle. References[1] Perrillat, J.-P.; Ricolleau, A.; Daniel, I. Physics of the Earth and Planetary Interiors 2006, 157, 139. [2] Ricolleau, A.; Perrillat, J.-P.; Fiquet, G. Journal of Geophysical Research 2010, 115. [3] Lin, J.-F.; Speziale, S.; Mao, Z. Reviews of Geophysics 2013, 51, 244.

  6. Valence state parameters of all transition metal atoms in metalloproteins--development of ABEEMσπ fluctuating charge force field.

    PubMed

    Yang, Zhong-Zhi; Wang, Jian-Jiang; Zhao, Dong-Xia

    2014-09-01

    To promote accuracy of the atom-bond electronegativity equalization method (ABEEMσπ) fluctuating charge polarizable force fields, and extend it to include all transition metal atoms, a new parameter, the reference charge is set up in the expression of the total energy potential function. We select over 700 model molecules most of which model metalloprotein molecules that come from Protein Data Bank. We set reference charges for different apparent valence states of transition metals and calibrate the parameters of reference charges, valence state electronegativities, and valence state hardnesses for ABEEMσπ through linear regression and least square method. These parameters can be used to calculate charge distributions of metalloproteins containing transition metal atoms (Sc-Zn, Y-Cd, and Lu-Hg). Compared the results of ABEEMσπ charge distributions with those obtained by ab initio method, the quite good linear correlations of the two kinds of charge distributions are shown. The reason why the STO-3G basis set in Mulliken population analysis for the parameter calibration is specially explained in detail. Furthermore, ABEEMσπ method can also quickly and quite accurately calculate dipole moments of molecules. Molecular dynamics optimizations of five metalloproteins as the examples show that their structures obtained by ABEEMσπ fluctuating charge polarizable force field are very close to the structures optimized by the ab initio MP2/6–311G method. This means that the ABEEMσπ/MM can now be applied to molecular dynamics simulations of systems that contain metalloproteins with good accuracy. PMID:25042901

  7. Ab initio potential energy curves of the valence, Rydberg, and ion-pair states of iodine monochloride, ICl

    SciTech Connect

    Kalemos, Apostolos; Prosmiti, Rita

    2014-09-14

    We present for the first time a coherent ab initio study of 39 states of valence, Rydberg, and ion-pair character of the diatomic interhalogen ICl species through large scale multireference variational methods including spin-orbit effects coupled with quantitative basis sets. Various avoided crossings are responsible for a non-adiabatic behaviour creating a wonderful vista for its theoretical description. Our molecular constants are compared with all available experimental data with the aim to assist experimentalists especially in the high energy regime of up to ∼95 000 cm{sup −1}.

  8. Predicting the natural state of fractured carbonate reservoirs: An Andector Field, West Texas test of a 3-D RTM simulator

    SciTech Connect

    Tuncay, K.; Romer, S.; Ortoleva, P.; Hoak, T.; Sundberg, K.

    1998-12-31

    The power of the reaction, transport, mechanical (RTM) modeling approach is that it directly uses the laws of geochemistry and geophysics to extrapolate fracture and other characteristics from the borehole or surface to the reservoir interior. The objectives of this facet of the project were to refine and test the viability of the basin/reservoir forward modeling approach to address fractured reservoir in E and P problems. The study attempts to resolve the following issues: role of fracturing and timing on present day location and characteristics; clarifying the roles and interplay of flexure dynamics, changing rock rheological properties, fluid pressuring and tectonic/thermal histories on present day reservoir location and characteristics; and test the integrated RTM modeling/geological data approach on a carbonate reservoir. Sedimentary, thermal and tectonic data from Andector Field, West Texas, were used as input to the RTM basin/reservoir simulator to predict its preproduction state. The results were compared with data from producing reservoirs to test the RTM modeling approach. The effects of production on the state of the field are discussed in a companion report. The authors draw the following conclusions: RTM modeling is an important new tool in fractured reservoir E and P analysis; the strong coupling of RTM processes and the geometric and tensorial complexity of fluid flow and stresses require the type of fully coupled, 3-D RTM model for fracture analysis as pioneered in this project; flexure analysis cannot predict key aspects of fractured reservoir location and characteristics; fracture history over the lifetime of a basin is required to understand the timing of petroleum expulsion and migration and the retention properties of putative reservoirs.

  9. Microscopic Examinations of Co Valences and Spin States in Electron-Doped LaCoO3

    NASA Astrophysics Data System (ADS)

    Tomiyasu, Keisuke; Koyama, Syun-Ichi; Watahiki, Masanori; Sato, Mika; Nishihara, Kazuki; Takahashi, Yuki; Onodera, Mitsugi; Iwasa, Kazuaki; Nojima, Tsutomu; Nojiri, Hiroyuki; Okamoto, Jun; Huang, Di-Jing; Yamasaki, Yuuichi; Nakao, Hironori; Murakami, Youichi

    2016-09-01

    We studied the Co valences and spin states in electron-doped LaCo1-yTeyO3 by measuring X-ray absorption spectra and electron spin resonance. The low-temperature insulating state involves the low-spin Co3+ state (S = 0) and the high-spin Co2+ state, where the latter is described by g = 3.8 and jeff = 1/2. The results, in concurrence with the electron-hole asymmetry confirmed in the electrical resistivity, coincide with the spin-blockade phenomenon in this system. Furthermore, we discuss the g factor in terms of the strong covalent-bonding nature and consider multiple origins of this phenomenon.

  10. Relationship Between Iron Valence States of Serpentine in CM Chondrites and Their Aqueous Alteration Degrees

    NASA Technical Reports Server (NTRS)

    Mikouchi, T.; Zolensky, M.; Satake, W.; Le, L.

    2012-01-01

    The 0.6-0.7 micron absorption band observed for C-type asteroids is caused by the presence of Fe(3+) in phyllosilicates . Because Fe-bearing phyllosilicates, especially serpentine, are the most dominant product of aqueous alteration in the most abundant carbonaceous chondrites, CM chondrites, it is important to understand the crystal chemistry of serpentine in CM chondrites to better understand spectral features of C-type asteroids. CM chondrites show variable degrees of aqueous alteration, which should be related to iron valences in serpentine. It is predicted that the Fe(3+)/Sum of (Fe) ratios of serpentine in CM chondrites decrease as alteration proceeds by Si and Fe(3+) substitutions from end-member cronstedtite to serpentine, which should be apparent in the absorption intensity of the 0.6-0.7 micron band from C-type asteroids. In fact, the JAXA Hayabusa 2 target (C-type asteroid: 1993 JU3) exhibits heterogeneous spectral features (0.7 micron absorption band disappears by rotation). From these points of view, we have analyzed iron valences of matrix serpentine in several CM chondrites which span the entire observed range of aqueous alteration using Synchrotron Radiation X-ray Absorption Near-Edge Structure (SR-XANES). In this abstract we discuss the relationship between obtained Fe(3+)/Sum of (Fe) ratios and alteration degrees by adding new data to our previous studies

  11. Mixed Valence and Spin Fluctuations in Cerium

    NASA Astrophysics Data System (ADS)

    Andraka, Bohdan

    The pseudobinary alloys Ce(Ni(,x)Co(,1-x))(,2), (Ce(,x)La(,1-x))Ni(,2) and (Ce(,x)Y(,1-x))Ni(,2), where 0 < x < 1, have been studied. The room temperature lattice constant, the magnetic susceptibility in the 6 to 300 K temperature range, the low temperature specific heat in the 0.4 to 25 K range and the electrical resistivity in the 0.4 to 300 K range were measured. Additionally, X -ray absorption around L(,3) edge has been studied using the synchroton radiation. Both, thermodynamic and L(,3) probes yield similar results for the changes of valence of Ce across these systems. We have established that Ce is in the saturated valence state in the Ce(Ni(,x)Co(,1 -x))(,2) for x < 0.25. The valence decreases with x in the 0.25 to 1 concentration range. Similarly, the valence of Ce decreases in the (Ce, Y)Ni(,2) systems upon substitution of Y for Ce. The results obtained for the (Ce(,x)La(,1 -x))Ni(,2) system are interpreted in terms of changes of the Ce('3+) impurity levels. Spin fluctuations due to the 3d electrons play an important role in these systems.

  12. Ground and excited states of doubly open-shell nuclei from ab initio valence-space Hamiltonians

    NASA Astrophysics Data System (ADS)

    Stroberg, S. R.; Hergert, H.; Holt, J. D.; Bogner, S. K.; Schwenk, A.

    2016-05-01

    We present ab initio predictions for ground and excited states of doubly open-shell fluorine and neon isotopes based on chiral two- and three-nucleon interactions. We use the in-medium similarity renormalization group to derive mass-dependent s d valence-space Hamiltonians. The experimental ground-state energies are reproduced through neutron number N =14 , beyond which a new targeted normal-ordering procedure improves agreement with data and large-space multireference calculations. For spectroscopy, we focus on neutron-rich F-2623 and Ne-2624 isotopes near N =14 ,16 magic numbers. In all cases we find agreement with experiment and established phenomenology. Moreover, yrast states are well described in 20Ne and 24Mg, providing a path toward an ab initio description of deformation in the medium-mass region.

  13. Valence and lowest Rydberg electronic states of phenol investigated by synchrotron radiation and theoretical methods.

    PubMed

    Limão-Vieira, P; Duflot, D; Ferreira da Silva, F; Lange, E; Jones, N C; Hoffmann, S V; Śmiałek, M A; Jones, D B; Brunger, M J

    2016-07-21

    We present the experimental high-resolution vacuum ultraviolet (VUV) photoabsorption spectra of phenol covering for the first time the full 4.3-10.8 eV energy-range, with absolute cross sections determined. Theoretical calculations on the vertical excitation energies and oscillator strengths were performed using time-dependent density functional theory and the equation-of-motion coupled cluster method restricted to single and double excitations level. These have been used in the assignment of valence and Rydberg transitions of the phenol molecule. The VUV spectrum reveals several new features not previously reported in the literature, with particular reference to the 6.401 eV transition, which is here assigned to the 3sσ/σ(∗)(OH)←3π(3a″) transition. The measured absolute photoabsorption cross sections have been used to calculate the photolysis lifetime of phenol in the earth's atmosphere (0-50 km). PMID:27448882

  14. Valence and lowest Rydberg electronic states of phenol investigated by synchrotron radiation and theoretical methods

    NASA Astrophysics Data System (ADS)

    Limão-Vieira, P.; Duflot, D.; Ferreira da Silva, F.; Lange, E.; Jones, N. C.; Hoffmann, S. V.; Śmiałek, M. A.; Jones, D. B.; Brunger, M. J.

    2016-07-01

    We present the experimental high-resolution vacuum ultraviolet (VUV) photoabsorption spectra of phenol covering for the first time the full 4.3-10.8 eV energy-range, with absolute cross sections determined. Theoretical calculations on the vertical excitation energies and oscillator strengths were performed using time-dependent density functional theory and the equation-of-motion coupled cluster method restricted to single and double excitations level. These have been used in the assignment of valence and Rydberg transitions of the phenol molecule. The VUV spectrum reveals several new features not previously reported in the literature, with particular reference to the 6.401 eV transition, which is here assigned to the 3sσ/σ∗(OH)←3π(3a″) transition. The measured absolute photoabsorption cross sections have been used to calculate the photolysis lifetime of phenol in the earth's atmosphere (0-50 km).

  15. Valence state partitioning of V between pyroxene-melt: Effects of pyroxene and melt composition, and direct determination of V valence states by XANES. Application to Martian basalt QUE 94201 composition

    SciTech Connect

    Karner, J.M.; Papike, J.J.; Sutton, S.R.; Shearer, C.K.; Burger, P.; McKay, G.; Le, L.

    2009-01-13

    Experiments on a Martian basalt composition show that D{sub V} augite/melt is greater than D{sub V} pigeonite/melt in samples equilibrated under the same fO{sub 2} conditions. This increase is due to the increased availability of elements for coupled substitution with the V{sup 3+} or V{sup 4+} ions, namely Al and Na. for this bulk composition, both Al and Na are higher in concentration in augite compared with pigeonite; therefore more V can enter augite than pigeonite. Direct valence state determination by XANES shows that the V{sup 3+} and V{sup 4+} are the main V species in the melt at fO{sub 2} conditions of IW-1 to IW+3.5, whereas pyroxene grains at IW-1, IW, and IW+1 contain mostly V{sup 3+}. This confirms the idea that V{sup 3+} is more compatible in pyroxene than V{sup 4+}. The Xanes data also indicates that a small percentage of V{sup 2+} may exist in melt and pyroxene at IW-1. The similar valence of V in glass and pyroxene at IW-1 suggests that V{sup 2+} and V{sup 3+} may have similar compatibilities in pyroxene.

  16. Inductor and TSV Design of 20-V Boost Converter for Low Power 3D Solid State Drive with NAND Flash Memories

    NASA Astrophysics Data System (ADS)

    Yasufuku, Tadashi; Ishida, Koichi; Miyamoto, Shinji; Nakai, Hiroto; Takamiya, Makoto; Sakurai, Takayasu; Takeuchi, Ken

    Two essential technologies for a 3D Solid State Drive (3D-SSD) with a boost converter are presented in this paper. The first topic is the spiral inductor design which determines the performance of the boost converter, and the second is the effect of TSV's on the boost converter. These techniques are very important in achieving a 3D-SSD with a boost converter. In the design of the inductor, the on-board inductor from 250nH to 320nH is the best design feature that meets all requirements, including high output voltage above 20V, fast rise time, low energy consumption, and area smaller than 25mm2. The use of a boost converter with the proposed inductor leads to a reduction of the energy consumption during the write operation of the proposed 1.8-V 3D-SSD by 68% compared with the conventional 3.3-V 3D-SSD with the charge pump. The feasibility of 3D-SSD's with Through Silicon Vias (TSV's) connections is also discussed. In order to maintain the advantages of the boost converter over the charge pump, the reduction of the parasitic resistance of TSV's is very important.

  17. Breath-held MR cholangiopancreatography (MRCP) using a 3D Dixon fat-water separated balanced steady state free precession sequence.

    PubMed

    Glockner, James F; Saranathan, Manojkumar; Bayram, Ersin; Lee, Christine U

    2013-10-01

    A novel 3D breath-held Dixon fat-water separated balanced steady state free precession (b-SSFP) sequence for MR cholangiopancreatography (MRCP) is described and its potential clinical utility assessed in a series of patients. The main motivation is to develop a robust breath-held alternative to the respiratory gated 3D Fast Spin Echo (FSE) sequence, the current clinical sequence of choice for MRCP. Respiratory gated acquisitions are susceptible to motion artifacts and blurring in patients with significant diaphragmatic drift, erratic respiratory rhythms or sleep apnea. A two point Dixon fat-water separation scheme was developed which eliminates signal loss arising from B0 inhomogeneity effects and minimizes artifacts from perturbation of the b-SSFP steady state. Preliminary results from qualitative analysis of 49 patients demonstrate robust performance of the 3D Dixon b-SSFP sequence with diagnostic image quality acquired in a 20-24s breath-hold. PMID:23876262

  18. General behavior of chalcogenides of rare-earth metals in transition to the intermediate valence state under high pressures

    NASA Astrophysics Data System (ADS)

    Tsiok, O. B.; Khvostantsev, L. G.; Golubkov, A. V.; Smirnov, I. A.; Brazhkin, V. V.

    2014-10-01

    High-precision measurements of the electric resistance, thermopower, and volume of TmS, TmSe, and TmTe under hydrostatic pressures up to 8.5 GPa were conducted. Comparison of the behavior of the electron-transport characteristics and volume of TmTe and SmTe in the electron transition region demonstrates a complete analogy up to the quantitative coincidence. We found that the thermopower of all samarium and thulium chalcogenides in the lattice-collapse region and during the subsequent reconstruction of the electronic spectrum obeys the universal dependence, which corresponds to the intersection of the Fermi level with the peak of the electron density of states. The results obtained testify in favor of the exciton nature of the intermediate valence state in chalcogenides of the rare-earth metals.

  19. Synchrotron x-ray spectroscopy studies of valence and magnetic state in europium metal to extreme pressures

    SciTech Connect

    Bi, W.; Souza-Neto, N.M.; Haskel, D.; Fabbris, G.; Alp, E.E.; Zhao, J.; Hennig, R.G.; Abd-Elmeguid, M.M.; Meng, Y.; McCallum, Ralph W.; Dennis, Kevin; Schilling, J.S.

    2012-05-22

    In order to probe the changes in the valence state and magnetic properties of Eu metal under extreme pressure, x-ray absorption near-edge spectroscopy, x-ray magnetic circular dichroism, and synchrotron Mössbauer spectroscopy experiments were carried out. The Mössbauer isomer shift exhibits anomalous pressure dependence, passing through a maximum near 20 GPa. Density functional theory has been applied to give insight into the pressure-induced changes in both Eu's electronic structure and Mössbauer isomer shift. Contrary to previous reports, Eu is found to remain nearly divalent to the highest pressures reached (87 GPa) with magnetic order persisting to at least 50 GPa. These results should lead to a better understanding of the nature of the superconducting state found above 75 GPa and of the sequence of structural phase transitions observed to 92 GPa.

  20. Bound state solution of Dirac equation for 3D harmonics oscillator plus trigonometric scarf noncentral potential using SUSY QM approach

    SciTech Connect

    Cari, C. Suparmi, A.

    2014-09-30

    Dirac equation of 3D harmonics oscillator plus trigonometric Scarf non-central potential for spin symmetric case is solved using supersymmetric quantum mechanics approach. The Dirac equation for exact spin symmetry reduces to Schrodinger like equation. The relativistic energy and wave function for spin symmetric case are simply obtained using SUSY quantum mechanics method and idea of shape invariance.

  1. Valency states of Yb, Eu, Dy and Ti ions in Li 2B 4O 7 glasses

    NASA Astrophysics Data System (ADS)

    Kaczmarek, Sławomir M.; Tsuboi, Taiju; Boulon, Georges

    2003-06-01

    Absorption and emission spectra of Eu and Dy, Yb and Ti ions in Li 2B 4O 7 glasses grown in oxygen and hydrogen gas atmospheres were measured for valency states and lattice-sites analysis. For the Li 2B 4O 7 glass doped with Eu 2+, Eu 3+ and Dy 3+ ions which were grown in oxidizing and reducing atmospheres, absorption and emission bands due to these ions were investigated before and after γ-irradiation. For the Yb 3+-doped Li 2B 4O 7 glass, a weak, broad band was observed near the sharp 976.3 nm absorption band. The origin of this band is discussed in comparison with other glasses. Moreover, irradiation experiments using γ-rays were also performed in order to investigate the possibility of valency change of Yb ions. It was found that Ti 4+ ions, which are produced under oxidizing atmosphere, change to Ti 3+ ions after γ-irradiation with a dose of 10 5 Gy. An additional absorption band observed at about ˜500 nm is due to the Ti 3+ ions accompanied by charge-compensating vacancy and does not give any emission.

  2. Valence state partitioning of vanadium between pyroxene-melt: effects of pyroxene and melt composition and direct determination of V valence by XANES

    SciTech Connect

    Karner, J.M.; Papike, J.J.; Sutton, S.R.; Shearer, C.K.; Burger, P.; McKay, G.; Le, L.

    2008-04-29

    This paper continues the study of the partitioning of multivalent elements between pyroxene-melt in synthetic charges of martian basalt QUE 94201 composition. Here we concentrate on the partitioning of V between augite/melt and pigeonite/melt. Previous studies have used the partitioning of V between minerals and melt to estimate the fO2 condition and setting of terrestrial and extraterrestrial lavas. Although the V partitioning studies have been successful in estimating fO{sub 2}, they provide no direct determination of V valence in the minerals or the melt. That information is now obtainable through XANES spectroscopy, and here we report XANES data on the same pyroxene grains that we measured the partitioning data.

  3. Effect of carrier density and valence states on superconductivity of oxygen annealed Fe1.06Te0.6Se0.4 single crystals

    NASA Astrophysics Data System (ADS)

    Su, T. S.; Yin, Y. W.; Teng, M. L.; Gong, Z. Z.; Zhang, M. J.; Li, X. G.

    2013-11-01

    The variations of carrier density and valence states in oxygen annealed Fe1.06Te0.6Se0.4 single crystals were studied systematically. It was found that the carrier density nH increases after oxygen annealing by Hall coefficient measurements. The X-ray photoelectron spectroscopy experiments reveal that the oxygen annealing changes Fe0 and Te0 states to Fe2+/3+ and Te4+, respectively, while the valence variation of Se is negligible. Our results indicate that the improvement of superconductivity, such as the zero resistance transition temperature Tczero, shielding and Meissner fraction value 4πχ and upper critical field Hc2, could be closely related to the proper manipulation of nH and the valence states by oxygen annealing in the system.

  4. Hole-ion Mixed Conduction of Orientation-Controlled BaPrO3-δ Thin Film with Mixed Valence States

    NASA Astrophysics Data System (ADS)

    Higuchi, Tohru; Oda, Asuka; Tsuchiya, Takashi; Suetsugu, Takaaki; Suzuki, Naoya; Yamaguchi, Shohei; Minohara, Makoto; Kobayashi, Masaki; Horiba, Koji; Kumigashira, Hiroshi

    2015-11-01

    An in-plane-oriented BaPrO3-δ thin film with mixed valence states has been prepared on an Al2O3(0001) substrate by RF magnetron sputtering. With increasing crystallization temperature (Tsub), the lattice constant decreases and the orientation changes from the a-axis to the b-axis. The thin film prepared above Tsub = 800 °C exhibits a higher proton conductivity than bulk ceramics. The conductivity below 400 °C decreases with oxygen gas partial pressure, indicating the existence of hole-ion mixed conduction. The valence band consists of O 2p states hybridized with the Pr4+ (4f0) and Pr3+ (4f1L) states, which are closely related to the mixed conduction. The energy difference between the top of the valence band and the Fermi level corresponds to the activation energy of holes for the total conductivity below 400 °C.

  5. Correlation between valence state of tin and elastic modulus of Sn-doped Li2O-B2O3-SiO2 glasses

    NASA Astrophysics Data System (ADS)

    Masai, Hirokazu; Matsumoto, Syuji; Ueda, Yuki; Koreeda, Akitoshi

    2016-05-01

    The correlation between the longitudinal elastic modulus c11 and tin valence state in Li2O-B2O3-SiO2 ternary glasses is investigated. Substitution of B2O3 for SiO2 increases the glass-transition temperature and c11 but decreases the melting temperature. 119Sn Mössbauer spectra show that the valence state of tin increased with increasing molten temperature, Tmolten, in air, and that it also affects the c11 value even though the 1.0 mol. % addition. The c11 values, whose error bars are governed by those of density, suggest that the addition of SnO2 increases c11 whereas SnO decreases. The relationship between Tmolten and the amount of Sn2+ suggests that the main factor affecting the tin valence state is oxygen, whose reactivity may correlate with the glass melt viscosity.

  6. 3D bioprinting of skin: a state-of-the-art review on modelling, materials, and processes.

    PubMed

    Vijayavenkataraman, S; Lu, W F; Fuh, J Y H

    2016-01-01

    The skin is the largest organ of the body, having a complex multi-layered structure and guards the underlying muscles, bones, ligaments, and internal organs. It serves as the first line of defence to any external stimuli, hence it is the most vulnerable to injury and warrants the need for rapid and reliable regeneration methods. Tissue engineered skin substitutes help overcome the limitations of traditional skin treatment methods, in terms of technology, time, and cost. While there is commendable progress in the treating of superficial wounds and injuries with skin substitutes, treatment of full-thickness injuries, especially with third or fourth degree burns, still looks murkier. Engineering multi-layer skin architecture, conforming to the native skin structure is a tougher goal to achieve with the current tissue engineering methods, if not impossible, restoring all the functions of the native skin. The testing of drugs and cosmetics is another area, where engineered skins are very much needed, with bans being imposed on product testing on animals. Given this greater need, 3D bioprinting is a promising technology that can achieve rapid and reliable production of biomimetic cellular skin substitutes, satisfying both clinical and industrial needs. This paper reviews all aspects related to the 3D bioprinting of skin, right from imaging the injury site, 3D model creation, biomaterials that are used and their suitability, types of cells and their functions, actual bioprinting technologies, along with the challenges and future prospects. PMID:27606434

  7. CHROMATE REDUCTION AND REMEDIATION UTILIZING THE THERMODYNAMIC INSTABILITY OF ZERO-VALENCE STATE IRON

    EPA Science Inventory

    There has been recent interest in the potential for utilizing low oxidation-state chemical species to remediate higher oxidation-state contaminants. ero-oxidation state metals can have the ability to serve as electron donors for the reduction of contaminants. his ability derives ...

  8. 3D Breath-Held Cardiac Function With Projection Reconstruction in Steady State Free Precession Validated Using 2D Cine MRI

    PubMed Central

    Peters, Dana C.; Ennis, Daniel B.; Rohatgi, Pratik; Syed, Mushabbar A.; McVeigh, Elliot R.; Arai, Andrew E.

    2007-01-01

    Purpose: To develop and validate a three-dimensional (3D) single breath-hold, projection reconstruction (PR), balanced steady state free precession (SSFP) method for cardiac function evaluation against a two-dimensional (2D) multislice Fourier (Cartesian) transform (FT) SSFP method. Materials and Methods: The 3D PR SSFP sequence used projections in the x-y plane and partitions in z, providing 70–80 msec temporal resolution and 1.7 × 1.7 × 8–10 mm in a 24-heartbeat breath hold. A total of 10 volunteers were imaged with both methods, and the measurements of global cardiac function were compared. Results: Mean signal-to-noise ratios (SNRs) for the blood and myocardium were 114 and 42 (2D) and 59 and 21 (3D). Bland-Altman analysis comparing the 2D and 3D ejection fraction (EF), left ventricular end diastolic volume (LVEDV) and end systolic volume (LVESV), and end diastolic myocardial mass (LVEDM) provided values of bias ±2 SD of 0.6% ± 7.7 % for LVEF, 5.9 mL ± 20 mL for LVEDV, −2.8 mL ± 12 mL for LVESV, and −0.61 g ± 13 g for LVEDM. 3D interobserver variability was greater than 2D for LVEDM and LVESV. Conclusion: In a single breath hold, the 3D PR method provides comparable information to the standard 2D FT method, which employs 10–12 breath holds. PMID:15332248

  9. Nature of the magnetic ground state in the mixed valence compound CeRuSn: a single-crystal study.

    PubMed

    Fikáček, J; Prokleška, J; Prchal, J; Custers, J; Sechovský, V

    2013-10-16

    We report on detailed low-temperature measurements of the magnetization, the specific heat and the electrical resistivity on high-quality CeRuSn single crystals. The compound orders antiferromagnetically at T(N) = 2.8 K with the Ce(3+) ions locked within the a-c plane of the monoclinic structure. Magnetization shows that below T(N) CeRuSn undergoes a metamagnetic transition when applying a magnetic field of 1.5 and 0.8 T along the a- and c-axis, respectively. This transition manifests in a tremendous negative jump of ~25% in the magnetoresistance. The value of the saturated magnetization along the easy magnetization direction (c-axis) and the magnetic entropy above T(N) derived from specific heat data correspond to the scenario of only one third of the Ce ions in the compound being trivalent and carrying a stable Ce(3+) magnetic moment, whereas the other two thirds of the Ce ions are in a nonmagnetic tetravalent and/or mixed valence state. This is consistent with the low-temperature CeRuSn crystal structure i.e., a superstructure consisting of three unit cells of the CeCoAl type piled up along the c-axis, and in which the Ce(3+) ions are characterized by large distances from the Ru ligands while the Ce-Ru distances of the other Ce ions are much shorter causing a strong 4f-ligand hybridization and hence leading to tetravalent and/or mixed valence Ce ions. PMID:24055927

  10. A review of state-of-the-art stereology for better quantitative 3D morphology in cardiac research.

    PubMed

    Mühlfeld, Christian; Nyengaard, Jens Randel; Mayhew, Terry M

    2010-01-01

    The aim of stereological methods in biomedical research is to obtain quantitative information about three-dimensional (3D) features of tissues, cells, or organelles from two-dimensional physical or optical sections. With immunogold labeling, stereology can even be used for the quantitative analysis of the distribution of molecules within tissues and cells. Nowadays, a large number of design-based stereological methods offer an efficient quantitative approach to intriguing questions in cardiac research, such as "Is there a significant loss of cardiomyocytes during progression from ventricular hypertrophy to heart failure?" or "Does a specific treatment reduce the degree of fibrosis in the heart?" Nevertheless, the use of stereological methods in cardiac research is rare. The present review article demonstrates how some of the potential pitfalls in quantitative microscopy may be avoided. To this end, we outline the concepts of design-based stereology and illustrate their practical applications to a wide range of biological questions in cardiac research. We hope that the present article will stimulate researchers in cardiac research to incorporate design-based stereology into their study designs, thus promoting an unbiased quantitative 3D microscopy. PMID:19144544

  11. Theory of Valence Transition in BiNiO3

    NASA Astrophysics Data System (ADS)

    Naka, Makoto; Seo, Hitoshi; Motome, Yukitoshi

    2016-02-01

    Motivated by the colossal negative thermal expansion recently found in BiNiO3 , the valence transition accompanied by the charge transfer between the Bi and Ni sites is theoretically studied. We introduce an effective model for Bi -6 s and Ni -3 d orbitals taking into account the valence skipping of Bi cations, and investigate the ground-state and finite-temperature phase diagrams within the mean-field approximation. We find that the valence transition is caused by commensurate locking of the electron filling in each orbital associated with charge and magnetic orderings, and the critical temperature and the nature of the transitions are strongly affected by the relative energy between the Bi and Ni levels and the effective electron-electron interaction in the Bi sites. The obtained phase diagram well explains the temperature- and pressure-driven valence transitions in BiNiO3 and the systematic variation of valence states for a series of Bi and Pb perovskite oxides.

  12. Theory of Valence Transition in BiNiO_{3}.

    PubMed

    Naka, Makoto; Seo, Hitoshi; Motome, Yukitoshi

    2016-02-01

    Motivated by the colossal negative thermal expansion recently found in BiNiO_{3}, the valence transition accompanied by the charge transfer between the Bi and Ni sites is theoretically studied. We introduce an effective model for Bi-6s and Ni-3d orbitals taking into account the valence skipping of Bi cations, and investigate the ground-state and finite-temperature phase diagrams within the mean-field approximation. We find that the valence transition is caused by commensurate locking of the electron filling in each orbital associated with charge and magnetic orderings, and the critical temperature and the nature of the transitions are strongly affected by the relative energy between the Bi and Ni levels and the effective electron-electron interaction in the Bi sites. The obtained phase diagram well explains the temperature- and pressure-driven valence transitions in BiNiO_{3} and the systematic variation of valence states for a series of Bi and Pb perovskite oxides. PMID:26894723

  13. Europeana and 3D

    NASA Astrophysics Data System (ADS)

    Pletinckx, D.

    2011-09-01

    The current 3D hype creates a lot of interest in 3D. People go to 3D movies, but are we ready to use 3D in our homes, in our offices, in our communication? Are we ready to deliver real 3D to a general public and use interactive 3D in a meaningful way to enjoy, learn, communicate? The CARARE project is realising this for the moment in the domain of monuments and archaeology, so that real 3D of archaeological sites and European monuments will be available to the general public by 2012. There are several aspects to this endeavour. First of all is the technical aspect of flawlessly delivering 3D content over all platforms and operating systems, without installing software. We have currently a working solution in PDF, but HTML5 will probably be the future. Secondly, there is still little knowledge on how to create 3D learning objects, 3D tourist information or 3D scholarly communication. We are still in a prototype phase when it comes to integrate 3D objects in physical or virtual museums. Nevertheless, Europeana has a tremendous potential as a multi-facetted virtual museum. Finally, 3D has a large potential to act as a hub of information, linking to related 2D imagery, texts, video, sound. We describe how to create such rich, explorable 3D objects that can be used intuitively by the generic Europeana user and what metadata is needed to support the semantic linking.

  14. Differential and integrated cross sections for excitation to the 3s, 3p, and 3d states of atomic hydrogen by electron impact below the n=4 threshold

    SciTech Connect

    Bartlett, Philip L.; Bray, Igor; Stelbovics, Andris T.; Williams, J. F.; Mikosza, A. G.

    2006-08-15

    Integrated cross sections for the electron-impact excitation of ground-state hydrogen to the 3s, 3p, and 3d final states have been calculated using propagating exterior complex scaling and convergent close-coupling methods at energies between the n=3 and 4 excitation thresholds. The calculations are in excellent agreement and demonstrate that exterior complex scaling methods can accurately reproduce the resonance structure and magnitude of the excitation cross sections below the ionization threshold. Measurements of the separate 3s, 3p, and 3d differential cross sections were made at 12.24 eV, and are consistent with both calculations within a total experimental uncertainty of about 35%.

  15. Simultaneous Acquisition of 2D and 3D Solid-State NMR Experiments for Sequential Assignment of Oriented Membrane Protein Samples

    PubMed Central

    Gopinath, T.; Mote, Kaustubh R; Veglia, Gianluigi

    2016-01-01

    We present a new method called DAISY (Dual Acquisition orIented ssNMR spectroScopY) for the simultaneous acquisition of 2D and 3D oriented solid-state NMR experiments for membrane proteins aligned in mechanically or magnetically lipid bilayers. DAISY utilizes dual acquisition of sine and cosine dipolar or chemical shift coherences and long living 15N longitudinal polarization to obtain two multi-dimensional spectra, simultaneously. In these new experiments, the first acquisition gives the polarization inversion spin exchange at the magic angle (PISEMA) or heteronuclear correlation (HETCOR) spectra, the second acquisition gives PISEMA-mixing or HETCOR-mixing spectra, where the mixing element enables inter-residue correlations through 15N-15N homonuclear polarization transfer. The analysis of the two 2D spectra (first and second acquisitions) enables one to distinguish 15N-15N inter-residue correlations for sequential assignment of membrane proteins. DAISY can be implemented in 3D experiments that include the polarization inversion spin exchange at magic angle via I spin coherence (PISEMAI) sequence, as we show for the simultaneous acquisition of 3D PISEMAI-HETCOR and 3D PISEMAI-HETCOR-mixing experiments. PMID:25749871

  16. Simultaneous acquisition of 2D and 3D solid-state NMR experiments for sequential assignment of oriented membrane protein samples.

    PubMed

    Gopinath, T; Mote, Kaustubh R; Veglia, Gianluigi

    2015-05-01

    We present a new method called DAISY (Dual Acquisition orIented ssNMR spectroScopY) for the simultaneous acquisition of 2D and 3D oriented solid-state NMR experiments for membrane proteins reconstituted in mechanically or magnetically aligned lipid bilayers. DAISY utilizes dual acquisition of sine and cosine dipolar or chemical shift coherences and long living (15)N longitudinal polarization to obtain two multi-dimensional spectra, simultaneously. In these new experiments, the first acquisition gives the polarization inversion spin exchange at the magic angle (PISEMA) or heteronuclear correlation (HETCOR) spectra, the second acquisition gives PISEMA-mixing or HETCOR-mixing spectra, where the mixing element enables inter-residue correlations through (15)N-(15)N homonuclear polarization transfer. The analysis of the two 2D spectra (first and second acquisitions) enables one to distinguish (15)N-(15)N inter-residue correlations for sequential assignment of membrane proteins. DAISY can be implemented in 3D experiments that include the polarization inversion spin exchange at magic angle via I spin coherence (PISEMAI) sequence, as we show for the simultaneous acquisition of 3D PISEMAI-HETCOR and 3D PISEMAI-HETCOR-mixing experiments. PMID:25749871

  17. Low-lying states of valence-hole nuclei in the 208Pb region

    NASA Astrophysics Data System (ADS)

    Jiang, H.; Shen, J. J.; Zhao, Y. M.; Arima, A.

    2011-04-01

    Systematic calculations of low-lying states for Ir, Pt, Au, Hg and Tl isotopes with neutron numbers between 120 and 125 have been performed within the framework of the SDG-pair approximation of the shell model. We employ a monopole and quadrupole pairing plus quadrupole-quadrupole-type interaction with optimized parameters, which are assumed to be constants for nuclei with the same proton number or neutron number. We calculate binding energies of the ground states, low energy level schemes, electric quadrupole and magnetic dipole moments, and E2 transition rates. Our results are reasonably consistent with the available experimental data as well as previous theoretical studies, in particular, for low-lying yrast states. We also demonstrate that low-lying states of nuclei studied here are usually well represented by very simple configurations in collective nucleon-pair basis.

  18. High-spin states in the five-valence-particle nucleus {sup 213}Po

    SciTech Connect

    Astier, Alain; Porquet, Marie-Genevieve

    2011-03-15

    Excited states in {sup 213}Po have been populated using the {sup 18}O+ {sup 208}Pb reaction at 85 MeV beam energy and studied with the Euroball IV {gamma} multidetector array. The level scheme has been built up to {approx}2.0 MeV excitation energy and spin I{approx}25/2({h_bar}/2{pi}) from the triple {gamma} coincidence data. Spin and parity values of several yrast states have been assigned from the {gamma} angular properties. The configurations of the yrast states are discussed using results of empirical shell-model calculations and by analogy with the neighboring nuclei. The spin and parity values of several low-spin states of {sup 213}Po previously identified from the {beta} decay of {sup 213}Bi are revised.

  19. Patient-Specific Artery Shrinkage and 3D Zero-Stress State in Multi-Component 3D FSI Models for Carotid Atherosclerotic Plaques Based on In Vivo MRI Data

    PubMed Central

    Huang, Xueying; Yang, Chun; Yuan, Chun; Liu, Fei; Canton, Gador; Zheng, Jie; Woodard, Pamela K.; Sicard, Gregorio A.; Tang, Dalin

    2009-01-01

    Image-based computational models for atherosclerotic plaques have been developed to perform mechanical analysis to quantify critical flow and stress/strain conditions related to plaque rupture which often leads directly to heart attack or stroke. An important modeling issue is how to determine zero stress state from in vivo plaque geometries. This paper presents a method to quantify human carotid artery axial and inner circumferential shrinkages by using patient-specific ex vivo and in vivo MRI images. A shrink-stretch process based on patient-specific in vivo plaque morphology and shrinkage data was introduced to shrink the in vivo geometry first to find the zero-stress state (opening angle was ignored to reduce the complexity), and then stretch and pressurize to recover the in vivo plaque geometry with computed initial stress, strain, flow pressure and velocity conditions. Effects of the shrink-stretch process on plaque stress/strain distributions were demonstrated based on patient-specific data using 3D models with fluid-structure interactions (FSI). The average artery axial and inner circumferential shrinkages were 25% and 7.9%, respectively, based on a data set obtained from 10 patients. Maximum values of maximum principal stress and strain increased 349.8% and 249% respectively with 33% axial stretch. Influence of inner circumferential shrinkage (7.9%) was not very noticeable under 33% axial stretch, but became more noticeable under smaller axial stretch. Our results indicated that accurate knowledge of artery shrinkages and the shrink-stretch process will considerably improve the accuracy of computational predictions made based on results from those in vivo MRI-based FSI models. PMID:19444328

  20. Patient-specific artery shrinkage and 3D zero-stress state in multi-component 3D FSI models for carotid atherosclerotic plaques based on in vivo MRI data.

    PubMed

    Huang, Xueying; Yang, Chun; Yuan, Chun; Liu, Fei; Canton, Gador; Zheng, Jie; Woodard, Pamela K; Sicard, Gregorio A; Tang, Dalin

    2009-06-01

    Image-based computational models for atherosclerotic plaques have been developed to perform mechanical analysis to quantify critical flow and stress/strain conditions related to plaque rupture which often leads directly to heart attack or stroke. An important modeling issue is how to determine zero stress state from in vivo plaque geometries. This paper presents a method to quantify human carotid artery axial and inner circumferential shrinkages by using patient-specific ex vivo and in vivo MRI images. A shrink-stretch process based on patient-specific in vivo plaque morphology and shrinkage data was introduced to shrink the in vivo geometry first to find the zero-stress state (opening angle was ignored to reduce the complexity), and then stretch and pressurize to recover the in vivo plaque geometry with computed initial stress, strain, flow pressure and velocity conditions. Effects of the shrink-stretch process on plaque stress/strain distributions were demonstrated based on patient-specific data using 3D models with fluid-structure interactions (FSI). The average artery axial and inner circumferential shrinkages were 25% and 7.9%, respectively, based on a data set obtained from 10 patients. Maximum values of maximum principal stress and strain increased 349.8% and 249% respectively with 33% axial stretch. Influence of inner circumferential shrinkage (7.9%) was not very noticeable under 33% axial stretch, but became more noticeable under smaller axial stretch. Our results indicated that accurate knowledge of artery shrinkages and the shrink-stretch process will considerably improve the accuracy of computational predictions made based on results from those in vivo MRI-based FSI models. PMID:19444328

  1. Combined theoretical and experimental study of the valence, Rydberg, and ionic states of chlorobenzene.

    PubMed

    Palmer, Michael H; Ridley, Trevor; Vrønning Hoffmann, Søren; Jones, Nykola C; Coreno, Marcello; de Simone, Monica; Grazioli, Cesare; Zhang, Teng; Biczysko, Malgorzata; Baiardi, Alberto; Peterson, Kirk A

    2016-03-28

    New photoelectron (PE) and ultra violet (UV) and vacuum UV (VUV) spectra have been obtained for chlorobenzene by synchrotron study with higher sensitivity and resolution than previous work and are subjected to detailed analysis. In addition, we report on the mass-resolved (2 + 1) resonance enhanced multiphoton ionization (REMPI) spectra of a jet-cooled sample. Both the VUV and REMPI spectra have enabled identification of a considerable number of Rydberg states for the first time. The use of ab initio calculations, which include both multi-reference multi-root doubles and singles configuration interaction (MRD-CI) and time dependent density functional theoretical (TDDFT) methods, has led to major advances in interpretation of the vibrational structure of the ionic and electronically excited states. Franck-Condon (FC) analyses of the PE spectra, including both hot and cold bands, indicate much more complex envelopes than previously thought. The sequence of ionic states can be best interpreted by our multi-configuration self-consistent field computations and also by comparison of the calculated vibrational structure of the B and C ionic states with experiment; these conclusions suggest that the leading sequence is the same as that of iodobenzene and bromobenzene, namely: X(2)B1(3b1 (-1)) < A(2)A2(1a2 (-1)) < B(2)B2(6b2 (-1)) < C(2)B1(2b1 (-1)). The absorption onset near 4.6 eV has been investigated using MRD-CI and TDDFT calculations; the principal component of this band is (1)B2 and an interpretation based on the superposition of FC and Herzberg-Teller contributions has been performed. The other low-lying absorption band near 5.8 eV is dominated by a (1)A1 state, but an underlying weak (1)B1 state (πσ(∗)) is also found. The strongest band in the VUV spectrum near 6.7 eV is poorly resolved and is analyzed in terms of two ππ(∗) states of (1)A1 (higher oscillator strength) and (1)B2 (lower oscillator strength) symmetries, respectively. The calculated vertical

  2. Combined theoretical and experimental study of the valence, Rydberg, and ionic states of chlorobenzene

    NASA Astrophysics Data System (ADS)

    Palmer, Michael H.; Ridley, Trevor; Vrønning Hoffmann, Søren; Jones, Nykola C.; Coreno, Marcello; de Simone, Monica; Grazioli, Cesare; Zhang, Teng; Biczysko, Malgorzata; Baiardi, Alberto; Peterson, Kirk A.

    2016-03-01

    New photoelectron (PE) and ultra violet (UV) and vacuum UV (VUV) spectra have been obtained for chlorobenzene by synchrotron study with higher sensitivity and resolution than previous work and are subjected to detailed analysis. In addition, we report on the mass-resolved (2 + 1) resonance enhanced multiphoton ionization (REMPI) spectra of a jet-cooled sample. Both the VUV and REMPI spectra have enabled identification of a considerable number of Rydberg states for the first time. The use of ab initio calculations, which include both multi-reference multi-root doubles and singles configuration interaction (MRD-CI) and time dependent density functional theoretical (TDDFT) methods, has led to major advances in interpretation of the vibrational structure of the ionic and electronically excited states. Franck-Condon (FC) analyses of the PE spectra, including both hot and cold bands, indicate much more complex envelopes than previously thought. The sequence of ionic states can be best interpreted by our multi-configuration self-consistent field computations and also by comparison of the calculated vibrational structure of the B and C ionic states with experiment; these conclusions suggest that the leading sequence is the same as that of iodobenzene and bromobenzene, namely: X2B1(3b1-1) < A2A2(1a2-1) < B2B2(6b2-1) < C2B1(2b1-1). The absorption onset near 4.6 eV has been investigated using MRD-CI and TDDFT calculations; the principal component of this band is 1B2 and an interpretation based on the superposition of FC and Herzberg-Teller contributions has been performed. The other low-lying absorption band near 5.8 eV is dominated by a 1A1 state, but an underlying weak 1B1 state (πσ∗) is also found. The strongest band in the VUV spectrum near 6.7 eV is poorly resolved and is analyzed in terms of two ππ∗ states of 1A1 (higher oscillator strength) and 1B2 (lower oscillator strength) symmetries, respectively. The calculated vertical excitation energies of these two

  3. PROTON GENERATION BY DISSOLUTION OF INTRINSIC OR AUGMENTED ALUMINOSILICATE MINERALS FOR IN SITU CONTAMINANT REMEDIATION BY ZERO-VALENCE-STATE IRON

    EPA Science Inventory

    Metallic, or zero-valence-state, iron is being incorporated into permeable reactive subsurface barriers for remediating a variety of contaminant plume types. The remediation occurs via reductive processes that are associated with surface corrosion of the iron metal. Reaction rate...

  4. Combined theoretical and experimental study of the valence, Rydberg and ionic states of fluorobenzene.

    PubMed

    Palmer, Michael H; Ridley, Trevor; Vrønning Hoffmann, Søren; Jones, Nykola C; Coreno, Marcello; de Simone, Monica; Grazioli, Cesare; Zhang, Teng; Biczysko, Malgorzata; Baiardi, Alberto; Peterson, Kirk A

    2016-05-28

    New photoelectron spectra (PES) and ultra violet (UV) and vacuum UV (VUV) absorption spectra of fluorobenzene recorded at higher resolution than previously, have been combined with mass-resolved (2 + 1) and (3 + 1) resonance enhanced multiphoton ionization (REMPI) spectra; this has led to the identification of numerous Rydberg states. The PES have been compared with earlier mass-analyzed threshold ionization and photoinduced Rydberg ionization (PIRI) spectra to give an overall picture of the ionic state sequence. The analysis of these spectra using both equations of motion with coupled cluster singles and doubles (EOM-CCSD) configuration interaction and time dependent density functional theory (TDDFT) calculations have been combined with vibrational analysis of both the hot and cold bands of the spectra, in considerable detail. The results extend several earlier studies on the vibronic coupling leading to conical intersections between the X(2)B1 and A(2)A2 states, and a further trio (B, C, and D) of states. The conical intersection of the X and A states has been explicitly identified, and its structure and energetics evaluated. The energy sequence of the last group is only acceptable to the present study if given as B(2)B2states forces reconsideration of the nature of the PIRI spectrum. The coupling between these two states is induced by the a2 modes, ν12 and ν14 and we propose that the 14(1) band is observed in the B(2)B2 band in the PES for the first time, because of the improved resolution. This same assignment is given to the lowest energy band in the PIRI spectrum which was previously assigned as the origin band and further conclude that the entire PIRI spectrum is induced by ν12 and ν14. The relative intensities of the various Rydberg state peaks in the VUV absorption and REMPI spectra of fluorobenzene are

  5. Combined theoretical and experimental study of the valence, Rydberg and ionic states of fluorobenzene

    NASA Astrophysics Data System (ADS)

    Palmer, Michael H.; Ridley, Trevor; Vrønning Hoffmann, Søren; Jones, Nykola C.; Coreno, Marcello; de Simone, Monica; Grazioli, Cesare; Zhang, Teng; Biczysko, Malgorzata; Baiardi, Alberto; Peterson, Kirk A.

    2016-05-01

    New photoelectron spectra (PES) and ultra violet (UV) and vacuum UV (VUV) absorption spectra of fluorobenzene recorded at higher resolution than previously, have been combined with mass-resolved (2 + 1) and (3 + 1) resonance enhanced multiphoton ionization (REMPI) spectra; this has led to the identification of numerous Rydberg states. The PES have been compared with earlier mass-analyzed threshold ionization and photoinduced Rydberg ionization (PIRI) spectra to give an overall picture of the ionic state sequence. The analysis of these spectra using both equations of motion with coupled cluster singles and doubles (EOM-CCSD) configuration interaction and time dependent density functional theory (TDDFT) calculations have been combined with vibrational analysis of both the hot and cold bands of the spectra, in considerable detail. The results extend several earlier studies on the vibronic coupling leading to conical intersections between the X2B1 and A2A2 states, and a further trio (B, C, and D) of states. The conical intersection of the X and A states has been explicitly identified, and its structure and energetics evaluated. The energy sequence of the last group is only acceptable to the present study if given as B2B2states forces reconsideration of the nature of the PIRI spectrum. The coupling between these two states is induced by the a2 modes, ν12 and ν14 and we propose that the 141 band is observed in the B2B2 band in the PES for the first time, because of the improved resolution. This same assignment is given to the lowest energy band in the PIRI spectrum which was previously assigned as the origin band and further conclude that the entire PIRI spectrum is induced by ν12 and ν14. The relative intensities of the various Rydberg state peaks in the VUV absorption and REMPI spectra of fluorobenzene are very similar to

  6. Ground State Valency and Spin Configuration of the Ni Ions in Nickelates

    SciTech Connect

    Petit, Leon; Egami, Takeshi; Stocks, George Malcolm; Temmerman, Walter M; Szotek, Zdzislawa

    2006-01-01

    The ab initio self-interaction-corrected local-spin-density approximation is used to study the electronic structure of both stoichiometric and nonstoichiometric nickelates. From total energy considerations it emerges that, in their ground state, both LiNiO2 and NaNiO2 are insulators, with the Ni ion in the Ni3+ low-spin state (t2g6eg1) configuration. It is established that a substitution of a number of Li/Na atoms by divalent impurities drives an equivalent number of Ni ions in the NiO2 layers from the Jahn-Teller (JT)-active trivalent low-spin state to the JT-inactive divalent state. We describe how the observed considerable differences between LiNiO2 and NaNiO2 can be explained through the creation of Ni2+ impurities in LiNiO2. The indications are that the random distribution of the Ni2+ impurities might be responsible for the destruction of the long-range orbital ordering in LiNiO2.

  7. Local Genome Topology Can Exhibit an Incompletely Rewired 3D-Folding State during Somatic Cell Reprogramming.

    PubMed

    Beagan, Jonathan A; Gilgenast, Thomas G; Kim, Jesi; Plona, Zachary; Norton, Heidi K; Hu, Gui; Hsu, Sarah C; Shields, Emily J; Lyu, Xiaowen; Apostolou, Effie; Hochedlinger, Konrad; Corces, Victor G; Dekker, Job; Phillips-Cremins, Jennifer E

    2016-05-01

    Pluripotent genomes are folded in a topological hierarchy that reorganizes during differentiation. The extent to which chromatin architecture is reconfigured during somatic cell reprogramming is poorly understood. Here we integrate fine-resolution architecture maps with epigenetic marks and gene expression in embryonic stem cells (ESCs), neural progenitor cells (NPCs), and NPC-derived induced pluripotent stem cells (iPSCs). We find that most pluripotency genes reconnect to target enhancers during reprogramming. Unexpectedly, some NPC interactions around pluripotency genes persist in our iPSC clone. Pluripotency genes engaged in both "fully-reprogrammed" and "persistent-NPC" interactions exhibit over/undershooting of target expression levels in iPSCs. Additionally, we identify a subset of "poorly reprogrammed" interactions that do not reconnect in iPSCs and display only partially recovered, ESC-specific CTCF occupancy. 2i/LIF can abrogate persistent-NPC interactions, recover poorly reprogrammed interactions, reinstate CTCF occupancy, and restore expression levels. Our results demonstrate that iPSC genomes can exhibit imperfectly rewired 3D-folding linked to inaccurately reprogrammed gene expression. PMID:27152443

  8. Theoretical description of electronically excited vinylidene up to 10 eV: first high level ab initio study of singlet valence and Rydberg states.

    PubMed

    Boyé-Péronne, Séverine; Gauyacq, Dolores; Liévin, Jacques

    2014-11-01

    The first quantitative description of the Rydberg and valence singlet electronic states of vinylidene lying in the 0-10 eV region is performed by using large scale ab initio calculations. A deep analysis of Rydberg-valence interactions has been achieved thanks to the comprehensive information contained in the accurate Multi-Reference Configuration Interaction wavefunctions and an original population analysis highlighting the respective role played by orbital and state mixing in such interactions. The present theoretical approach is thus adequate for dealing with larger than diatomic Rydberg systems. The nine lowest singlet valence states have been optimized. Among them, some are involved in strong Rydberg-valence interactions in the region of the Rydberg state equilibrium geometry. The Rydberg states of vinylidene present a great similarity with the acetylene isomer, concerning their quantum defects and Rydberg molecular orbital character. As in acetylene, strong s-d mixing is revealed in the n = 3 s-d supercomplex. Nevertheless, unlike in acetylene, the close-energy of the two vinylidene ionic cores (2)A1 and (2)B1 results into two overlapped Rydberg series. These Rydberg series exhibit local perturbations when an accidental degeneracy occurs between them and results in avoided crossings. In addition, some Δl = 1 (s-p and p-d) mixings arise for some Rydberg states and are rationalized in term of electrostatic interaction from the electric dipole moment of the ionic core. The strongest dipole moment of the (2)B1 cationic state also stabilizes the lowest members of the n = 3 Rydberg series converging to this excited state, as compared to the adjacent series converging toward the (2)A1 ionic ground state. The overall energies of vinylidene Rydberg states lie above their acetylene counterpart. Finally, predictions for optical transitions in singlet vinylidene are suggested for further experimental spectroscopic characterization of vinylidene. PMID:25381524

  9. Theoretical description of electronically excited vinylidene up to 10 eV: First high level ab initio study of singlet valence and Rydberg states

    NASA Astrophysics Data System (ADS)

    Boyé-Péronne, Séverine; Gauyacq, Dolores; Liévin, Jacques

    2014-11-01

    The first quantitative description of the Rydberg and valence singlet electronic states of vinylidene lying in the 0-10 eV region is performed by using large scale ab initio calculations. A deep analysis of Rydberg-valence interactions has been achieved thanks to the comprehensive information contained in the accurate Multi-Reference Configuration Interaction wavefunctions and an original population analysis highlighting the respective role played by orbital and state mixing in such interactions. The present theoretical approach is thus adequate for dealing with larger than diatomic Rydberg systems. The nine lowest singlet valence states have been optimized. Among them, some are involved in strong Rydberg-valence interactions in the region of the Rydberg state equilibrium geometry. The Rydberg states of vinylidene present a great similarity with the acetylene isomer, concerning their quantum defects and Rydberg molecular orbital character. As in acetylene, strong s-d mixing is revealed in the n = 3 s-d supercomplex. Nevertheless, unlike in acetylene, the close-energy of the two vinylidene ionic cores 2A1 and 2B1 results into two overlapped Rydberg series. These Rydberg series exhibit local perturbations when an accidental degeneracy occurs between them and results in avoided crossings. In addition, some Δl = 1 (s-p and p-d) mixings arise for some Rydberg states and are rationalized in term of electrostatic interaction from the electric dipole moment of the ionic core. The strongest dipole moment of the 2B1 cationic state also stabilizes the lowest members of the n = 3 Rydberg series converging to this excited state, as compared to the adjacent series converging toward the 2A1 ionic ground state. The overall energies of vinylidene Rydberg states lie above their acetylene counterpart. Finally, predictions for optical transitions in singlet vinylidene are suggested for further experimental spectroscopic characterization of vinylidene.

  10. Theoretical description of electronically excited vinylidene up to 10 eV: First high level ab initio study of singlet valence and Rydberg states

    SciTech Connect

    Boyé-Péronne, Séverine; Gauyacq, Dolores; Liévin, Jacques

    2014-11-07

    The first quantitative description of the Rydberg and valence singlet electronic states of vinylidene lying in the 0–10 eV region is performed by using large scale ab initio calculations. A deep analysis of Rydberg-valence interactions has been achieved thanks to the comprehensive information contained in the accurate Multi-Reference Configuration Interaction wavefunctions and an original population analysis highlighting the respective role played by orbital and state mixing in such interactions. The present theoretical approach is thus adequate for dealing with larger than diatomic Rydberg systems. The nine lowest singlet valence states have been optimized. Among them, some are involved in strong Rydberg-valence interactions in the region of the Rydberg state equilibrium geometry. The Rydberg states of vinylidene present a great similarity with the acetylene isomer, concerning their quantum defects and Rydberg molecular orbital character. As in acetylene, strong s-d mixing is revealed in the n = 3 s-d supercomplex. Nevertheless, unlike in acetylene, the close-energy of the two vinylidene ionic cores {sup 2}A{sub 1} and {sup 2}B{sub 1} results into two overlapped Rydberg series. These Rydberg series exhibit local perturbations when an accidental degeneracy occurs between them and results in avoided crossings. In addition, some Δl = 1 (s-p and p-d) mixings arise for some Rydberg states and are rationalized in term of electrostatic interaction from the electric dipole moment of the ionic core. The strongest dipole moment of the {sup 2}B{sub 1} cationic state also stabilizes the lowest members of the n = 3 Rydberg series converging to this excited state, as compared to the adjacent series converging toward the {sup 2}A{sub 1} ionic ground state. The overall energies of vinylidene Rydberg states lie above their acetylene counterpart. Finally, predictions for optical transitions in singlet vinylidene are suggested for further experimental spectroscopic

  11. 3d-3d correspondence revisited

    NASA Astrophysics Data System (ADS)

    Chung, Hee-Joong; Dimofte, Tudor; Gukov, Sergei; Sułkowski, Piotr

    2016-04-01

    In fivebrane compactifications on 3-manifolds, we point out the importance of all flat connections in the proper definition of the effective 3d {N}=2 theory. The Lagrangians of some theories with the desired properties can be constructed with the help of homological knot invariants that categorify colored Jones polynomials. Higgsing the full 3d theories constructed this way recovers theories found previously by Dimofte-Gaiotto-Gukov. We also consider the cutting and gluing of 3-manifolds along smooth boundaries and the role played by all flat connections in this operation.

  12. Cerium Substitution in Yttrium Iron Garnet: Valence State, Structure, and Energetics

    SciTech Connect

    Guo, Xiaofeng; Tavakoli, Amir H.; Sutton, Steve; Kukkadapu, Ravi K.; Qi, Liang; Lanzirotti, Anthony; Newville, Mathew; Asta, Mark D.; Navrotsky, Alexandra

    2014-01-28

    The garnet structure is a promising nuclear waste form because it can accommodate various actinide elements. Y3Fe5O12 (YIG) is a model composition for such substitutions. Since cerium (Ce) can be considered an analogue of actinide elements such as thorium (Th), plutonium (Pu), and uranium (U), studying the local structure and thermodynamic stability of Ce-substituted YIG (Ce:YIG) can provide insights into the structural and energetic aspects of large ion substitution in garnets. Single phases of yttrium iron garnet with Ce substitution up to 20 mol % (Y3-xCexFe5O12 with 0 ≤ x ≤ 0.2) were synthesized through a citrate-nitrate combustion method. The oxidation state of cerium was examined by X-ray absorption near edge structure spectroscopy (XANES); the oxidation state and site occupancy of Fe as a function of Ce loading also was monitored by 57Fe-Mössbauer spectroscopy. These measurements establish that Ce is predominantly in the trivalent state at low substitution levels, while a mixture of trivalent and tetravalent states are observed at higher concentrations. Fe was predominately trivalent and exists in multiple environments. High temperature oxide melt solution calorimetry was used to determine the enthalpy of formation of these Ce-substituted YIG garnets. The thermodynamic analysis demonstrated that, although there is an entropic driving force for the substitution of Ce for Y, the substitution reaction is enthalpically unfavorable. The experimental results are complemented by electronic structure calculations performed within the framework of density functional theory (DFT) with Hubbard-U corrections, which reproduce the observed increase in the tendency for tetravalent Ce to be present with higher loading of Ce. The DFT+U results suggest that the energetics underlying the formation of tetravalent Ce involves a competition between an unfavorable energy to oxidize Ce and reduce Fe, and a favorable contribution due to strain-energy reduction. The structural

  13. X-ray photoelectron spectroscopy studies of MgB 2 for valence state of Mg

    NASA Astrophysics Data System (ADS)

    A. Talapatra; Bandyopadhyay, S. K.; Sen, Pintu; Barat, P.; Mukherjee, S.; Mukherjee, M.

    2005-03-01

    Core level X-ray photoelectron spectroscopy (XPS) studies have been carried out on polycrystalline MgB 2 pellets over the whole binding energy range with a view to having an idea of the charge state of magnesium (Mg). We observe three distinct peaks in Mg 2p spectra at 49.3 eV (trace), 51.3 eV (major) and 54.0 eV (trace), corresponding to metallic Mg, MgB 2 and MgCO 3 or, divalent Mg species, respectively. Similar trend has been noticed in Mg 2s spectra. The binding energy of Mg in MgB 2 is lower than that corresponding to Mg(2+), indicative of the fact that the charge state of Mg in MgB 2 is less than (2+). Lowering of the formal charge of Mg promotes the σ → π electron transfer in boron (B) giving rise to holes on the top of the σ-band which are involved in coupling with B E 2g phonons for superconductivity. Through this charge transfer, Mg plays a positive role in hole superconductivity. B 1s spectra consist of three peaks corresponding to MgB 2, boron and B 2O 3. There is also evidence of MgO due to surface oxidation as seen from O 1s spectra.

  14. On the valency state of radiogenic lead in zircon and its consequences

    SciTech Connect

    Kramers, J.; Frei, R; Newville, M.; Kober, B.; Villa, I.

    2009-03-23

    In zircon U-Pb systematics, extreme robustness up to the temperatures of granulite facies and anatexis contrasts with apparently easy loss of radiogenic Pb at low temperatures, often without any metamorphic event being in evidence. Here we propose that this paradoxical behaviour can be understood with the hypothesis that radiogenic Pb in zircon is tetravalent. We review data and arguments in favour of this hypothesis. Diffusion profiles calculated for Pb{sup 2+} in a 25 {micro}m radius zircon xenocryst in a melt at 1000 C, combined with the incompatibility of Pb{sup 2+}, or for a zircon core inside a younger zircon rim at this temperature, show age effects that should have been observed in SIMS dating. Further, in zircon evaporation as well as in leaching experiments, common Pb is generally released preferentially to radiogenic Pb. After removal of less radiogenic Pb, the evaporation record generally shows pure radiogenic Pb during the final evaporation steps. The distribution of residual Pb in a leached titanite, revealed by PIXE, is similar to that of Ti. Lastly, XANES spectra of a 1 Ga old titanite (predominantly radiogenic Pb) and an Alpine one (predominantly common Pb) are significantly different, although the former does not resemble that of PbO{sub 2}. The arguments why radiogenic Pb should be tetravalent are based on analogies with studies relating to the tetravalent state of {sup 234}Th and the hexavalent state of {sup 234}U, which show that {alpha}-recoil in silicates generates a strongly oxidizing environment at the site where the recoiling nucleus comes to rest. Further, a zircon grain, being small, should remain highly oxidizing in its interior by the constant loss of {beta}-particles, maintaining the 4+ state of radiogenic Pb. From its effective ion radius, similar to that of Zr{sup 4+}, and its charge, Pb{sup 4+} has to be compatible in the zircon lattice. Also, by analogy with U{sup 4+}, Th{sup 4+} and Hf{sup 4+}, its diffusivity should be several

  15. Valence-bond solid as the quantum ground state in honeycomb layered urusovite CuAl (As O4)O

    NASA Astrophysics Data System (ADS)

    Vasiliev, A. N.; Volkova, O. S.; Zvereva, E. A.; Koshelev, A. V.; Urusov, V. S.; Chareev, D. A.; Petkov, V. I.; Sukhanov, M. V.; Rahaman, B.; Saha-Dasgupta, T.

    2015-04-01

    The synthetic mineral urusovite CuAl (As O4)O was prepared through the wet chemistry route and characterized over a wide temperature range in terms of studies of magnetization, specific heat, and X-band electron spin resonance. The basic structural units of the compound are distorted square pyramids Cu O5 assembled into corrugated honeycomb layers separated by As O4 and Al O4 tetrahedrons. Both thermodynamic and resonant measurements indicate that CuAl (As O4)O is a spin gap system with a gap of ˜350 K . The electronic structure calculations performed within the framework of density functional theory suggest a weakly interacting dimer model with antiferromagnetic signs for both intradimer and interdimer superexchange interactions. This establishes the valence bond solid as the quantum ground state of the title compound. The pronounced discrepancy between experimental data and calculations within the weakly interacting dimer model at elevated temperatures is ascribed in part to the steep increase of the intradimer exchange interaction parameter driven by the thermal expansion effects.

  16. Valence state control and third-order nonlinear optical properties of copper embedded in sodium borosilicate glass.

    PubMed

    Xiang, Weidong; Gao, Haihong; Ma, Li; Ma, Xin; Huang, Yunyun; Pei, Lang; Liang, Xiaojuan

    2015-05-20

    The integrated and transparent sodium borosilicate glasses that contain copper exhibiting different colors, that is, red, green, and blue were synthesized by combining the sol-gel process and heat treatment in H2 gas. To reveal substantially the cause of different colors in the glass, X-ray diffraction (XRD), transmission electron microscopy (TEM) and high resolution TEM (HRTEM) were systematically applied to investigate and determine the microstructure of the doped matter. The results showed three different crystals had formed in the red, green and blue glass, and the sizes of these crystals were range from 9 to 34, 1 to 6, and 1 to 5 nm, respectively. The valence state of copper was further analyzed by X-ray photoelectron spectroscopy (XPS) and electron energy loss spectroscopy (EELS). The third-order nonlinear optical properties of the glasses were investigated by using Z-scan technique at the wavelength of 800 nm. Interestingly, the third-order nonlinear absorption of the red, green, and blue glass can be successfully controlled from reverse saturable absorption, no absorption to saturable absorption and the optical nonlinear susceptibility χ((3)) of the red, green and blue glass were estimated to be 6.4 × 10(-14), 1.6 × 10(-14), and 2.6 × 10(-14) esu in the single-pulse energy of 0.36 μJ, respectively. PMID:25928895

  17. Oxygen Fugacity of Mare Basalts and the Lunar Mantle Application of a New Microscale Oxybarometer Based on the Valence State of Vanadium

    NASA Technical Reports Server (NTRS)

    Shearer, C. K.; Karner, J.; Papike, J. J.; Sutton, S. R.

    2004-01-01

    The ability to estimate oxygen fugacities for mare basalts and to extend these observations to the lunar mantle is limited using bulk analysis techniques based on buffering assemblages or the valence state of iron. These limitations are due to reequilibration of mineral assemblages at subsolidus conditions, deviations of mineral compositions from thermodynamic ideality, size requirements, and the limits of the iron valence at very low fO2. Still, these approaches have been helpful and indicate that mare basalts crystallized at fO2 between the iron-w stite buffer (IW) and the ilmenite breakdown reaction (ilmenite = rutile + iron). It has also been inferred from these estimates that the lunar mantle is also highly reduced lying at conditions below IW. Generally, these data cannot be used to determine if the mare basalts become increasingly reduced during transport from their mantle source and eruption at the lunar surface and if there are differences in fO2 among mare basalts or mantle sources. One promising approach to determining the fO2 of mare basalts is using the mean valence of vanadium (2+, 3+, 4+, 5+) determined on spots of a few micrometers in diameter using synchrotron x-ray absorption fine structure (XAFS) spectroscopy. The average valence state of V in basaltic glasses is a function of fO2, temperature, V coordination, and melt composition. Here, we report the initial results of this approach applied to lunar pyroclastic glasses.

  18. Reentrant valence transition in EuO at high pressures : beyond the bond-valence model

    SciTech Connect

    Souza-Neto, N.M.; Zhao, J.; Alp, E.; Shen, G.; Sinogeikin, S. V.; Lapertot, G.; Haskel, D.

    2012-07-12

    The pressure-dependent relation between Eu valence and lattice structure in model compound EuO is studied with synchrotron-based x-ray spectroscopic and diffraction techniques. Contrary to expectation, a 7% volume collapse at {approx}45 GPa is accompanied by a reentrant Eu valence transition into a lower valence state. In addition to highlighting the need for probing both structure and electronic states directly when valence information is sought in mixed-valent systems, the results also show that widely used bond-valence methods fail to quantitatively describe the complex electronic valence behavior of EuO under pressure.

  19. 3D RVE models able to capture and quantify the dispersion, agglomeration and orientation state of CNT in CNT/PP nanocomposites

    NASA Astrophysics Data System (ADS)

    Bhuiyan, Md; Pucha, Raghuram; Kalaitzidou, Kyriaki

    2016-02-01

    The focus of this study is to investigate the capabilities of 3D RVE models in predicting the tensile modulus of carbon nanotube polypropylene (CNT/PP) composites which differ slightly in the dispersion, agglomeration and orientation states of CNT within the PP matrix. The composites are made using melt mixing followed by either injection molding or melt spinning of fibers. The dispersion, agglomeration and orientation of CNT within the PP are experimentally altered by using a surfactant and by forcing the molten material to flow through a narrow orifice (melt spinning) that promotes alignment of CNT along the flow/drawing direction. An elaborate image analysis technique is used to quantify the CNT characteristics in terms of probability distribution functions (PDF). The PDF are then introduced to the 3D RVE models which also account for the CNT-PP interfacial interactions. It is concluded that the 3D RVE models can accurately distinguish among the different cases (dispersion, distribution, geometry and alignment of CNT) as the predicted tensile modulus is in good agreement with the experimentally determined one.

  20. Novel symmetrical coralloid Cu 3D superstructures: Solid-state synthesis from a Cu-carboxylate MOF and their in-situ thermal conversion

    SciTech Connect

    Chen Lingyun; Shen Yongming; Bai Junfeng; Wang Chunzhao

    2009-08-15

    We describe here a one-step solid-state process for the synthesis of metal three-dimensional (3D) superstructures from a metal-organic framework (MOF). Novel symmetrical coralloid Cu 3D superstructures with surface interspersed with clusters of Cu nanoparticles were successfully synthesized by thermolysis of the [Cu{sub 3}(btc){sub 2}] (btc=benzene-1,3,5-tricarboxylato) MOF in a one-end closed horizontal tube furnace (OCTF). The obtained products were characterized by TGA, FT-IR, XRD, EDX, SEM, TEM, HRTEM and SAED. Different reaction conditions were discussed. Furthermore, the synthesized Cu samples were converted into CuO microstructures by in-situ calcination in the air. In addition, the possible formation mechanism was also proposed. This method is a simple and facile route, which builds a direct linkage between metal-carboxylate MOF crystals and metal nano- or microstructures and also opens a new application field of MOFs. - Graphical abstract: Novel symmetrical coralloid Cu 3D superstructures were synthesized by thermolysis of the [Cu{sub 3}(btc){sub 2}] (btc=benzene-1,3,5-tricarboxylato) MOF microcrystals in a one-end closed horizontal tube furnace (OCTF).

  1. SU-D-213-05: Design, Evaluation and First Applications of a Off-Site State-Of-The-Art 3D Dosimetry System

    SciTech Connect

    Malcolm, J; Mein, S; McNiven, A; Letourneau, D; Oldham, M

    2015-06-15

    Purpose: To design, construct and commission a prototype in-house three dimensional (3D) dose verification system for stereotatic body radiotherapy (SBRT) verification at an off-site partner institution. To investigate the potential of this system to achieve sufficient performance (1mm resolution, 3% noise, within 3% of true dose reading) for SBRT verification. Methods: The system was designed utilizing a parallel ray geometry instigated by precision telecentric lenses and an LED 630nm light source. Using a radiochromic dosimeter, a 3D dosimetric comparison with our gold-standard system and treatment planning software (Eclipse) was done for a four-field box treatment, under gamma passing criteria of 3%/3mm/10% dose threshold. Post off-site installation, deviations in the system’s dose readout performance was assessed by rescanning the four-field box irradiated dosimeter and using line-profiles to compare on-site and off-site mean and noise levels in four distinct dose regions. As a final step, an end-to-end test of the system was completed at the off-site location, including CT-simulation, irradiation of the dosimeter and a 3D dosimetric comparison of the planned (Pinnacle{sup 3}) to delivered dose for a spinal SBRT treatment(12 Gy per fraction). Results: The noise level in the high and medium dose regions of the four field box treatment was relatively 5% pre and post installation. This reflects the reduction in positional uncertainty through the new design. This At 1mm dose voxels, the gamma pass rates(3%,3mm) for our in-house gold standard system and the off-site system were comparable at 95.8% and 93.2% respectively. Conclusion: This work will describe the end-to-end process and results of designing, installing, and commissioning a state-of-the-art 3D dosimetry system created for verification of advanced radiation treatments including spinal radiosurgery.

  2. Detection of Fe2+ valence states in Fe doped SrTiO3 epitaxial thin films grown by pulsed laser deposition.

    PubMed

    Koehl, Annemarie; Kajewski, Dariusz; Kubacki, Jerzy; Lenser, Christian; Dittmann, Regina; Meuffels, Paul; Szot, Kristof; Waser, Rainer; Szade, Jacek

    2013-06-01

    We present an X-ray absorption spectroscopy study on Fe-doped SrTiO3 thin films grown by pulsed laser deposition. The Fe L2,3 edge spectra are recorded for doping concentrations from 0-5% after several annealing steps at moderate temperatures. The Fe valence state is determined by comparison with an ilmenite reference sample and calculations according to the charge transfer multiplet model. We found clear evidence of Fe(2+) and Fe(3+) oxidation states independently of the doping concentration. The Fe(2+) signal is enhanced at the surface and increases after annealing. The Fe(2+) configuration is in contrast to the mixed Fe(3+)/Fe(4+) valence state in bulk material and must be explained by the specific defect structure of the thin films due to the kinetically limited growth which induces a high concentration of oxygen vacancies. PMID:23615619

  3. Contiguous 3 d and 4 f Magnetism: Strongly Correlated 3 d Electrons in YbFe2Al10

    NASA Astrophysics Data System (ADS)

    Khuntia, P.; Peratheepan, P.; Strydom, A. M.; Utsumi, Y.; Ko, K.-T.; Tsuei, K.-D.; Tjeng, L. H.; Steglich, F.; Baenitz, M.

    2014-11-01

    We present magnetization, specific heat, and Al 27 NMR investigations on YbFe2Al10 over a wide range in temperature and magnetic field. The magnetic susceptibility at low temperatures is strongly enhanced at weak magnetic fields, accompanied by a ln (T0/T ) divergence of the low-T specific heat coefficient in zero field, which indicates a ground state of correlated electrons. From our hard-x-ray photoemission spectroscopy study, the Yb valence at 50 K is evaluated to be 2.38. The system displays valence fluctuating behavior in the low to intermediate temperature range, whereas above 400 K, Yb3 + carries a full and stable moment, and Fe carries a moment of about 3.1 μB. The enhanced value of the Sommerfeld-Wilson ratio and the dynamic scaling of the spin-lattice relaxation rate divided by T [(1 /T1T ) 27 ] with static susceptibility suggests admixed ferromagnetic correlations. (1 /T1T ) 27 simultaneously tracks the valence fluctuations from the 4 f Yb ions in the high temperature range and field dependent antiferromagnetic correlations among partially Kondo screened Fe 3 d moments at low temperature; the latter evolve out of an Yb 4 f admixed conduction band.

  4. Data-driven techniques for detecting dynamical state changes in noisily measured 3D single-molecule trajectories.

    PubMed

    Calderon, Christopher P

    2014-01-01

    Optical microscopes and nanoscale probes (AFM, optical tweezers, etc.) afford researchers tools capable of quantitatively exploring how molecules interact with one another in live cells. The analysis of in vivo single-molecule experimental data faces numerous challenges due to the complex, crowded, and time changing environments associated with live cells. Fluctuations and spatially varying systematic forces experienced by molecules change over time; these changes are obscured by "measurement noise" introduced by the experimental probe monitoring the system. In this article, we demonstrate how the Hierarchical Dirichlet Process Switching Linear Dynamical System (HDP-SLDS) of Fox et al. [IEEE Transactions on Signal Processing 59] can be used to detect both subtle and abrupt state changes in time series containing "thermal" and "measurement" noise. The approach accounts for temporal dependencies induced by random and "systematic overdamped" forces. The technique does not require one to subjectively select the number of "hidden states" underlying a trajectory in an a priori fashion. The number of hidden states is simultaneously inferred along with change points and parameters characterizing molecular motion in a data-driven fashion. We use large scale simulations to study and compare the new approach to state-of-the-art Hidden Markov Modeling techniques. Simulations mimicking single particle tracking (SPT) experiments are the focus of this study. PMID:25397733

  5. Orphan spin operators enable the acquisition of multiple 2D and 3D magic angle spinning solid-state NMR spectra

    NASA Astrophysics Data System (ADS)

    Gopinath, T.; Veglia, Gianluigi

    2013-05-01

    We propose a general method that enables the acquisition of multiple 2D and 3D solid-state NMR spectra for U-13C, 15N-labeled proteins. This method, called MEIOSIS (Multiple ExperIments via Orphan SpIn operatorS), makes it possible to detect four coherence transfer pathways simultaneously, utilizing orphan (i.e., neglected) spin operators of nuclear spin polarization generated during 15N-13C cross polarization (CP). In the MEIOSIS experiments, two phase-encoded free-induction decays are decoded into independent nuclear polarization pathways using Hadamard transformations. As a proof of principle, we show the acquisition of multiple 2D and 3D spectra of U-13C, 15N-labeled microcrystalline ubiquitin. Hadamard decoding of CP coherences into multiple independent spin operators is a new concept in solid-state NMR and is extendable to many other multidimensional experiments. The MEIOSIS method will increase the throughput of solid-state NMR techniques for microcrystalline proteins, membrane proteins, and protein fibrils.

  6. Compound C2, a product of the reaction of oxygen and the mixed-valence state of cytochrome oxidase. Optical evidence for a type-I copper.

    PubMed

    Chance, B; Saronio, C; Leigh, J S

    1979-03-01

    Compound C2 is a product of the reaction of O2 and the mixed-valence state of cytochrome oxidase. The mixed-valence state of membrane-bound cytochrome oxidase is obtained at -24 degrees C, by using either ferricyanide or yeast peroxidase complex ES as oxidants, and the configurations of oxidized haem a and its associated copper (a3+Cua2+) and of reduced haem a3 and its associated copper (ac3+.CO.Cua3+) are obtained. The mixed-valence-state cytochrome oxidase mixed with O2 at -24 degrees C and flash-photolysed at -60 to -100 degrees C reacts with O2 and initially forms an oxy compound (A2) similar to that formed from the fully reduced state (A1). Thereafter the course of the reaction differs from that obtained in the fully reduced state, and absorbance increases are observed at 740--750 nm and 609 nm and a decrease at 444 nm, with no increase in absorbance at 655 nm. One possible attribution of the absorbance increases is to charge-transfer interaction between the iron of haem a3 and the copper associated with haem a3, Cua3(2+), having properties of a type-I 'blue' copper. A possible attribution of the decrease in absorbance at 444 nm is to liganding of a3(2+). A related explanation is that the 609 nm absorbance involves a charge-transfer interaction of both iron and copper as a mixed-valence binuclear complex, Cua3, having properties of a non-blue copper. Intermediates in addition to Compound C2 are not yet identifiable by chemical or spectroscopic tests. The kinetic and equilibrium properties of Compound C2 are described. PMID:220956

  7. 3D Imaging.

    ERIC Educational Resources Information Center

    Hastings, S. K.

    2002-01-01

    Discusses 3 D imaging as it relates to digital representations in virtual library collections. Highlights include X-ray computed tomography (X-ray CT); the National Science Foundation (NSF) Digital Library Initiatives; output peripherals; image retrieval systems, including metadata; and applications of 3 D imaging for libraries and museums. (LRW)

  8. 3D Imaging of Nickel Oxidation States using Full Field X-ray Absorption Near Edge Structure Nanotomography

    SciTech Connect

    Nelson, George; Harris, William; Izzo, John; Grew, Kyle N.

    2012-01-20

    Reduction-oxidation (redox) cycling of the nickel electrocatalyst phase in the solid oxide fuel cell (SOFC) anode can lead to performance degradation and cell failure. A greater understanding of nickel redox mechanisms at the microstructural level is vital to future SOFC development. Transmission x-ray microscopy (TXM) provides several key techniques for exploring oxidation states within SOFC electrode microstructure. Specifically, x-ray nanotomography and x-ray absorption near edge structure (XANES) spectroscopy have been applied to study samples of varying nickel (Ni) and nickel oxide (NiO) compositions. The imaged samples are treated as mock SOFC anodes containing distinct regions of the materials in question. XANES spectra presented for the individual materials provide a basis for the further processing and analysis of mixed samples. Images of composite samples obtained are segmented, and the distinct nickel and nickel oxide phases are uniquely identified using full field XANES spectroscopy. Applications to SOFC analysis are discussed.

  9. Boron induced change of the Eu valence state in EuPd3Bx (0≤x≤0.53) : A theoretical and experimental study

    NASA Astrophysics Data System (ADS)

    Gumeniuk, R.; Schmitt, M.; Loison, C.; Carrillo-Cabrera, W.; Burkhardt, U.; Auffermann, G.; Schmidt, M.; Schnelle, W.; Geibel, C.; Leithe-Jasper, A.; Rosner, H.

    2010-12-01

    A valence instability of Eu in EuPd3Bx (0≤x≤1) was discussed controversially in the past. In a joint theoretical and experimental study we investigate a large series of EuPd3Bx and GdPd3Bx compounds. Characterization by x-ray diffraction, metallography, energy-, and wavelength-dispersive x-ray spectroscopy as well as chemical analysis determine an existence range of EuPd3Bx up to x≤0.53 and x≤0.42 for the GdPd3Bx compounds, respectively. Our density-functional-based electronic structure calculation predict a valence change in EuPd3Bx above xcDFT=0.19±0.02 from a nonmagnetic Eu3+ state into a magnetic Eu2+ state which is reflected in a discontinuity of the lattice parameter. In contrast, the related Gd compounds with a stable Gd3+ state exhibit an almost linear behavior of the lattice parameter following Vegard’s law. Consistent with the calculations, the x-ray diffraction data show a kink in the lattice parameter for EuPd3Bx at xcXRD=0.22±0.02 . X-ray absorption spectroscopy measurements assign this kink to a transition into a heterogeneous mixed valence state for Eu with a critical B content xcXAS=0.22±0.03 . The observed change in the mean Eu valence from Eu3+ (x≤0.2) toward Eu2.5+ (x=0.5) is supported by magnetic susceptibility and specific-heat data.

  10. Rydberg and valence state excitation dynamics: a velocity map imaging study involving the E-V state interaction in HBr.

    PubMed

    Zaouris, Dimitris; Kartakoullis, Andreas; Glodic, Pavle; Samartzis, Peter C; Rafn Hróðmarsson, Helgi; Kvaran, Ágúst

    2015-04-28

    Photoexcitation dynamics of the E((1)Σ(+)) (v' = 0) Rydberg state and the V((1)Σ(+)) (v') ion-pair vibrational states of HBr are investigated by velocity map imaging (VMI). H(+) photoions, produced through a number of vibrational and rotational levels of the two states were imaged and kinetic energy release (KER) and angular distributions were extracted from the data. In agreement with previous work, we found the photodissociation channels forming H*(n = 2) + Br((2)P3/2)/Br*((2)P1/2) to be dominant. Autoionization pathways leading to H(+) + Br((2)P3/2)/Br*((2)P1/2) via either HBr(+)((2)Π3/2) or HBr(+)*((2)Π1/2) formation were also present. The analysis of KER and angular distributions and comparison with rotationally and mass resolved resonance enhanced multiphoton ionization (REMPI) spectra revealed the excitation transition mechanisms and characteristics of states involved as well as the involvement of the E-V state interactions and their v' and J' dependence. PMID:25801122

  11. Universal behavior of chalcogenides of rare-earth metals in the transition to a state with intermediate valence at high pressures

    SciTech Connect

    Tsiok, O. B.; Khvostantsev, L. G.; Brazhkin, V. V.

    2015-06-15

    Precision measurements of resistivity, thermopower, and volume are performed for TmS, TmSe, and TmTe under a hydrostatic pressure up to 8 GPa. Comparison of the transport properties and volume of TmTe and SmTe in the valence transition region demonstrates a complete analogy up to quantitative coincidence. It is shown that the thermopower of all thulium and samarium chalcogenides in the lattice collapse region and in subsequent rearrangement of the electron spectrum in a wide range of pressures follow a universal dependence corresponding the passage of the Fermi level through the peak of the density of states (DOS). The results are considered in the context of ideas about the exciton nature of the intermediate valence in chalcogenides of rare-earth metals.

  12. Universal behavior of chalcogenides of rare-earth metals in the transition to a state with intermediate valence at high pressures

    NASA Astrophysics Data System (ADS)

    Tsiok, O. B.; Khvostantsev, L. G.; Brazhkin, V. V.

    2015-06-01

    Precision measurements of resistivity, thermopower, and volume are performed for TmS, TmSe, and TmTe under a hydrostatic pressure up to 8 GPa. Comparison of the transport properties and volume of TmTe and SmTe in the valence transition region demonstrates a complete analogy up to quantitative coincidence. It is shown that the thermopower of all thulium and samarium chalcogenides in the lattice collapse region and in subsequent rearrangement of the electron spectrum in a wide range of pressures follow a universal dependence corresponding the passage of the Fermi level through the peak of the density of states (DOS). The results are considered in the context of ideas about the exciton nature of the intermediate valence in chalcogenides of rare-earth metals.

  13. Noncontrast MR Angiography for Comprehensive Assessment of Abdominopelvic Arteries using Quadruple Inversion-Recovery Preconditioning and 3D balanced Steady-State Free Precession Imaging

    PubMed Central

    Atanasova, Iliyana P.; Kim, Daniel; Lim, Ruth P.; Storey, Pippa; Kim, Sooah; Guo, Hua; Lee, Vivian S.

    2011-01-01

    Purpose To develop a non-contrast MR angiography (MRA) method for comprehensive evaluation of abdominopelvic arteries in a single 3D acquisition. Materials and Methods A non-contrast MRA (NC MRA) pulse sequence was developed using 4 inversion-recovery (IR) pulses and 3D balanced steady-state free precession (b-SSFP) readout to provide arterial imaging from renal to external iliac arteries. Respiratory triggered, high spatial resolution (1.3 × 1.3 × 1.7 mm3) non-contrast angiograms were obtained in seven volunteers and ten patients referred for gadolinium-enhanced MRA (CE MRA). Images were assessed for diagnostic quality by two radiologists. Quantitative measurements of arterial signal contrast were also performed. Results NC MRA imaging was successfully completed in all subjects in 7.0 ± 2.3 minutes. In controls, image quality of NC MRA averaged 2.79 ± 0.39 on a scale of 0 to 3, where 3 is maximum. Image quality of NC MRA (2.65 ± 0.41) was comparable to that of CE MRA (2.9 ± 0.32) in all patients. Contrast ratio measurements in patients demonstrated that NC MRA provides arterial contrast comparable to source CE MRA images with adequate venous and excellent background tissue suppression. Conclusion The proposed non-contrast MRA pulse sequence provides high quality visualization of abdominopelvic arteries within clinically feasible scan times. PMID:21591013

  14. How do monomeric components of a polymer gel dosimeter respond to ionising radiation: A steady-state radiolysis towards preparation of a 3D polymer gel dosimeter

    NASA Astrophysics Data System (ADS)

    Kozicki, Marek

    2011-12-01

    Ionising radiation-induced reactions of aqueous single monomer solutions and mixtures of poly(ethylene glycol) diacrylate (PEGDA) and N, N'-methylenebisacrylamide (Bis) in a steady-state condition are presented below and above gelation doses in order to highlight reactions in irradiated 3D polymer gel dosimeters, which are assigned for radiotherapy dosimetry. Both monomers are shown to undergo radical polymerisation and cross-linking, which result in the measured increase in molecular weight and radius of gyration of the formed polydisperse polymer coils. The formation of nanogels was also observed for Bis solutions at a low concentration. In the case of PEGDA-Bis mixtures, co-polymerisation is suggested as well. At a sufficiently high radiation dose, the formation of a polymer network was observed for both monomers and their mixture. For this reason a sol-gel analysis for PEGDA and Bis was performed gravimetrically and a proposition of an alternative to this method employing a nuclear magnetic resonance technique is made. The two monomers were used for preparation of 3D polymer gel dosimeters having the acronyms PABIG and PABIG nx. The latter is presented for the first time in this work and is a type of the formerly established PABIG polymer gel dosimeter. The elementary characteristics of the new composition are presented, underlining the ease of its preparation, low dose threshold, and slightly increased sensitivity but lower quasi-linear range of dose response in comparison to PABIG.

  15. TRACE 3-D documentation

    SciTech Connect

    Crandall, K.R.

    1987-08-01

    TRACE 3-D is an interactive beam-dynamics program that calculates the envelopes of a bunched beam, including linear space-charge forces, through a user-defined transport system. TRACE 3-D provides an immediate graphics display of the envelopes and the phase-space ellipses and allows nine types of beam-matching options. This report describes the beam-dynamics calculations and gives detailed instruction for using the code. Several examples are described in detail.

  16. 3-D crustal structure of the western United States: application of Rayleigh-wave ellipticity extracted from noise cross-correlations

    NASA Astrophysics Data System (ADS)

    Lin, Fan-Chi; Tsai, Victor C.; Schmandt, Brandon

    2014-08-01

    We present a new 3-D seismic model of the western United States crust derived from a joint inversion of Rayleigh-wave phase velocity and ellipticity measurements using periods from 8 to 100 s. Improved constraints on upper-crustal structure result from use of short-period Rayleigh-wave ellipticity, or Rayleigh-wave H/V (horizontal to vertical) amplitude ratios, measurements determined using multicomponent ambient noise cross-correlations. To retain the amplitude ratio information between vertical and horizontal components, for each station, we perform daily noise pre-processing (temporal normalization and spectrum whitening) simultaneously for all three components. For each station pair, amplitude measurements between cross-correlations of different components (radial-radial, radial-vertical, vertical-radial and vertical-vertical) are then used to determine the Rayleigh-wave H/V ratios at the two station locations. We use all EarthScope/USArray Tranportable Array data available between 2007 January and 2011 June to determine the Rayleigh-wave H/V ratios and their uncertainties at all station locations and construct new Rayleigh-wave H/V ratio maps in the western United States between periods of 8 and 24 s. Combined with previous longer period earthquake Rayleigh-wave H/V ratio measurements and Rayleigh-wave phase velocity measurements from both ambient noise and earthquakes, we invert for a new 3-D crustal and upper-mantle model in the western United States. Correlation between the inverted model and known geological features at all depths suggests good resolution in five crustal layers. Use of short-period Rayleigh-wave H/V ratio measurements based on noise cross-correlation enables resolution of distinct near surface features such as the Columbia River Basalt flows, which overlie a thick sedimentary basin.

  17. Use of HERFD-XANES at the U L3- and M4-Edges To Determine the Uranium Valence State on [Ni(H2O)4]3[U(OH,H2O)(UO2)8O12(OH)3].

    PubMed

    Bès, René; Rivenet, Murielle; Solari, Pier-Lorenzo; Kvashnina, Kristina O; Scheinost, Andreas C; Martin, Philippe M

    2016-05-01

    We report and discuss here the unambiguous uranium valence state determination on the complex compound [Ni(H2O)4]3[U(OH,H2O)(UO2)8O12(OH)3] by using high-energy-resolution fluorescence detection-X-ray absorption near-edge structure spectroscopy (HERFD-XANES). The spectra at both U L3- and M4-edges confirm that all five nonequivalent U atoms are solely in the hexavalent form in this compound, as previously suggested by bond-valence-sum analysis and X-ray diffraction pattern refinement. Moreover, the presence of the preedge feature, due to the 2p3/2-5f quadrupole transition, has been observed in the U L3-edge HERFD-XANES spectrum, in agreement with theoretical and experimental observations of other uranium-based compounds. Recently, this feature has been proposed as a possible tool to determine the uranium oxidation state in a manner similar to that of 3d and 4d metals. Nevertheless, this feature is also very sensitive to the uranium local environment, as revealed by our theoretical calculations, and consequently could not be used to attribute without ambiguity the uranium valence state. In contrast, U M4-edge HERFD-XANES appears to be the most straightforward and reliable way to assess the uranium valence state in very complex materials such as [Ni(H2O)4]3[U(OH,H2O)(UO2)8O12(OH)3] or a mixture of compounds. PMID:27132487

  18. A Step-by-Step Assembly of a 3D Coordination Polymer in the Solid-State by Desolvation and [2+2] Cycloaddition Reactions.

    PubMed

    Medishetty, Raghavender; Tandiana, Rika; Wu, Jien; Bai, Zhaozhi; Du, Yonghua; Vittal, Jagadese J

    2015-08-17

    Two solid-state structural transformations that occur in a stepwise and a controlled manner are described. A combination of desolvation and cycloaddition reactions has been employed to synthesise a 3D coordination polymer (CP) from 1D CP [Cd(bdc)(4-spy)2 (H2 O)]⋅2 H2 O⋅2 DMF (bdc=1,4-benzenedicarboxylate, 4-spy=4-styrylpyridine) presumably via a 2D layered structure, [Cd2 (bdc)2 (4-spy)4 ]. In the absence of single crystals to follow the course of the photocycloaddition reaction, thermogravimetry, XAFS and NOESY NMR experiments were used to propose the formation of layered and pillared layered structures. Further, the present strategy enables us to synthesise new multidimensional architectures that are otherwise inaccessible by the self-assembly process. PMID:26150356

  19. Levels of Valence

    PubMed Central

    Shuman, Vera; Sander, David; Scherer, Klaus R.

    2013-01-01

    The distinction between the positive and the negative is fundamental in our emotional life. In appraisal theories, in particular in the component process model of emotion (Scherer, 1984, 2010), qualitatively different types of valence are proposed based on appraisals of (un)pleasantness, goal obstructiveness/conduciveness, low or high power, self-(in)congruence, and moral badness/goodness. This multifaceted conceptualization of valence is highly compatible with the frequent observation of mixed feelings in real life. However, it seems to contradict the one-dimensional conceptualization of valence often encountered in psychological theories, and the notion of valence as a common currency used to explain choice behavior. Here, we propose a framework to integrate the seemingly disparate conceptualizations of multifaceted valence and one-dimensional valence by suggesting that valence should be conceived at different levels, micro and macro. Micro-valences correspond to qualitatively different types of evaluations, potentially resulting in mixed feelings, whereas one-dimensional macro-valence corresponds to an integrative “common currency” to compare alternatives for choices. We propose that conceptualizing levels of valence may focus research attention on the mechanisms that relate valence at one level (micro) to valence at another level (macro), leading to new hypotheses, and addressing various concerns that have been raised about the valence concept, such as the valence-emotion relation. PMID:23717292

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

    SciTech Connect

    Ghosh, Aryya; Vaval, Nayana; Pal, Sourav

    2015-07-14

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

  1. Modelling of the steady state thermal behaviour of a permanent magnet direct current motor with commutator. 3D finite elements study

    NASA Astrophysics Data System (ADS)

    Bernard, R.; Glises, R.; Chamagne, D.; Cuchet, D.; Kauffmann, J. M.

    1999-08-01

    The aim of this work concerns the development and the validation of a thermal steady state model applied to a permanent magnet direct current motor with commutator. The rated power of the machine is 120 W. Design has been realized thanks to the thermal modulus of the computation software with the finite element method Flux3D. It is shown in this work how it is possible to use only the heat equation to simulate the thermal behaviour of the motor. It implies calculating of new fluid conductivities (considering also all thermal modes) by comparison of calculated and experimental temperatures. To realize these 3D modelizations, it is necessary to know and to locate all the losses of the motor which are considered as thermal sources. The experimental temperatures are given by 40 chromel-alumel thermocouples of 100 μm diameter located in the rotor and the stator of the machine. Numerical computations use Dirichlet boundary layer conditions given by an IR camera. Ce travail concerne le développement et la validation d'un modèle de simulation du comportement thermique tridimensionnel en régime permanent d'un moteur électrique de 120 watt à courant continu, à aimants permanents et à collecteur. Le logiciel est développé à partir du code de calculs par éléments finis Flux3D. L'équation de la chaleur modélise l'ensemble des transferts thermiques du moteur. Cela nécessite de recaler certains paramètres fluides par comparaison des températures simulées et expérimentales. Une séparation détaillée des différentes pertes est nécessaire pour obtenir une bonne précision finale. Un banc d'essais thermiques permet d'obtenir à l'aide de 40 thermocouples (chromel-alumel de 100 μm de diamètre) les températures au stator et au rotor. Une caméra thermographique infrarouge donne les conditions aux limites de Dirichlet nécessaires à la modélisation.

  2. Bootstrapping 3D fermions

    NASA Astrophysics Data System (ADS)

    Iliesiu, Luca; Kos, Filip; Poland, David; Pufu, Silviu S.; Simmons-Duffin, David; Yacoby, Ran

    2016-03-01

    We study the conformal bootstrap for a 4-point function of fermions < ψψψψ> in 3D. We first introduce an embedding formalism for 3D spinors and compute the conformal blocks appearing in fermion 4-point functions. Using these results, we find general bounds on the dimensions of operators appearing in the ψ × ψ OPE, and also on the central charge C T . We observe features in our bounds that coincide with scaling dimensions in the GrossNeveu models at large N . We also speculate that other features could coincide with a fermionic CFT containing no relevant scalar operators.

  3. Multi-scale Finite-Frequency Travel-time Tomography Applied to Imaging 3-D Velocity Structure of the Upper Mantle Beneath the Southwest United States

    NASA Astrophysics Data System (ADS)

    Yin, Y.; Hung, S.

    2007-12-01

    Seismic tomographic imaging has played a key component to unravel the deep processes that caused the surface morphology and rift magmatism in the southwest United States. Several studies used teleseismic body- wave arrivals recorded by the La Ristra experiment, a dense broadband array of 950-km in length deployed during 1999-2001 and run through the Great Plains, the Rio Grande Rift, and the Colorado Plateau, to construct a 2-D tomographic image of the upper mantle structure beneath this linear array (e.g., Gao et al., 2004). However, because of the inevitable smoothing and damping imposed in the tomographic model, the resulting velocity contrast is too weak to explain distinct P and S waveform changes across the array (Song and Helmberger, 2007). In this study, we include all the data from the La Ristra and available nearby arrays and reexamine finite- frequency travel time delays measured by inter-station cross correlation of waveforms at both high- (0.3-2 Hz for P and 0.1-0.5 Hz for S) and low-frequencies (0.03-0.125 Hz for P and 0.03-0.1 Hz for S). Differing from the previous models that rely on classical ray theory and simple grid parameterization, our inversion considers more realistic 3-D sensitivity kernels for relative travel-time delays and a wavelet-based, multi-scale parameterization that enables to yield robust features with spatially-varying resolutions. Our preliminary P-wave model reveals a prominent low-velocity zone extending from near surface to the depth of 300 km beneath the Rio Grande Rift, while the upper mantle which underlies the Great Plains and the Colorado Plateau is seismically fast. We will demonstrate the difference and improvement of 3-D tomographic models through the use of finite-frequency kernels and multi-scale parameterization.

  4. Incorporation, valence state, and electronic structure of Mn and Cr in bulk single crystal β-Ga2O3

    NASA Astrophysics Data System (ADS)

    Lovejoy, T. C.; Chen, Renyu; Yitamben, E. N.; Shutthanadan, V.; Heald, S. M.; Villora, E. G.; Shimamura, K.; Zheng, S.; Dunham, S. T.; Ohuchi, F. S.; Olmstead, M. A.

    2012-06-01

    Single crystals of transition metal (TM) doped β-Ga2O3, a wide gap semiconductor system of interest for transparent conductive oxide and diluted magnetic semiconductor applications, have been studied in the dilute, non-interacting limit (≤0.06 cation %). Based on optical absorption, particle induced x-ray emission, and Rutherford backscattering measurements, Mn does not incorporate as well as Cr, and Mn degrades the crystal quality. Using superconducting quantum interference device (SQuID) magnetometry, a Brillouin type paramagnetic magnetization is observed for Mn or Cr doped crystals with an effective number of Bohr magnetons per TM ion of 5.88 ± 0.1 or 3.95 ± 0.1, respectively. A trace ferromagnetic signal is consistent with a very small concentration of secondary phases in the Mn-doped crystal. The position of the edge in x-ray absorption near edge structure (XANES) measurements suggests that the Cr takes the 3+ valence, while a mixture of Mn2+ and Mn3+ are present; based on the absence of a prominent pre-edge feature in the XANES, both TM predominantly occupy an octahedral site in β-Ga2O3. Density functional theory (DFT) results, optical absorption and SQuID data are consistent with this assignment. While the Cr-doped crystal is conductive, the Mn-doped crystal is insulating, which is consistent with the Mn2+/Mn3+ mixed valence, assuming the Fermi level is pinned mid-gap at the Mn 2+/3+ transition level, which is predicted by DFT to be 1.8 eV above the valence band maximum.

  5. 3D finite element simulation of microstructure evolution in blade forging of Ti-6Al-4V alloy based on the internal state variable models

    NASA Astrophysics Data System (ADS)

    Luo, Jiao; Wu, Bin; Li, Miao-Quan

    2012-02-01

    The physically-based internal state variable (ISV) models were used to describe the changes of dislocation density, grain size, and flow stress in the high temperature deformation of titanium alloys in this study. The constants of the present models could be identified based on experimental results, which were conducted at deformation temperatures ranging from 1093 K to 1303 K, height reductions ranging from 20% to 60%, and the strain rates of 0.001, 0.01, 0.1, 1.0, and 10.0 s-1. The physically-based internal state variable models were implemented into the commercial finite element (FE) code. Then, a three-dimensional (3D) FE simulation system coupling of deformation, heat transfer, and microstructure evolution was developed for the blade forging of Ti-6Al-4V alloy. FE analysis was carried out to simulate the microstructure evolution in the blade forging of Ti-6Al-4V alloy. Finally, the blade forging tests of Ti-6Al-4V alloy were performed to validate the results of FE simulation. According to the tensile tests, it is seen that the mechanical properties, such as tensile strength and elongation, satisfy the application requirements well. The maximum and minimum differences between the calculated and experimental grain size of primary α phase are 11.71% and 4.23%, respectively. Thus, the industrial trials show a good agreement with FE simulation of blade forging.

  6. Doubly-excited {sup 1,3}D{sup e} resonance states of two-electron positive ions Li{sup +} and Be{sup 2+} in Debye plasmas

    SciTech Connect

    Kar, Sabyasachi; Wang, Yang; Jiang, Zishi; Li, Shuxia; Ratnavelu, K.

    2014-01-15

    We investigate the bound {sup 1,3}D states and the doubly-excited {sup 1,3}D{sup e} resonance states of two-electron positive ions Li{sup +} and Be{sup 2+} by employing correlated exponential wave functions. In the framework of the stabilization method, we are able to extract three series (2pnp, 2snd, 2pnf) of {sup 1}D{sup e} resonances and two series (2pnp, 2snd) of {sup 3}D{sup e} resonances below the N = 2 threshold. The {sup 1,3}D{sup e} resonance parameters (resonance energies and widths) for Li{sup +} and Be{sup 2+} along with the bound-excited 1s3d {sup 1,3}D state energies are reported for the first time as functions of the screening parameter. Accurate resonance energies and widths are also reported for Li{sup +} and Be{sup 2+} in vacuum. For free-atomic cases, comparisons are made with the reported results and few resonance states are reported for the first time.

  7. Two-band model for halogen-bridged mixed-valence transition-metal complexes. I. Ground state and excitation spectrum

    NASA Astrophysics Data System (ADS)

    Gammel, J. Tinka; Saxena, A.; Batistić, I.; Bishop, A. R.; Phillpot, S. R.

    1992-03-01

    We consider a 3/4-filled, two-band discrete tight-binding Peierls-Hubbard model for an isolated chain of a halogen-bridged, mixed-valence, transition-metal linear-chain complex (HMMC or MX chain). We have employed the adiabatic approximation in which the quantum fluctuations associated with phonons are implicitly treated as an external field for the electrons, and treat electron-electron effects in the Hartree-Fock approximation. We investigate ground states as functions of the model parameters and doping-induced and photoinduced excitations-kinks, polarons, bipolarons, and excitons. Results for several experimental observables, including the lattice distortion, the excess charge and spin densities of defects, and the optical absorption, are compiled. For the ground state, we find that the bond-order-wave (BOW) portion of the one-band phase diagram is eliminated from the two-band phase diagram, in agreement with the lack of real materials in the pure BOW phase. The extent of electron-hole asymmetry and of spatial localization or delocalization of defects is explored. Two separate solitons or polarons are compared with corresponding bipolarons. We demonstrate explicitly the need to employ the two-band model for a realistic modeling of the MX systems, focusing on three specific systems: (a) highly distorted, valence-localized (strongly charge-disproportionated) PtCl, (b) moderately distorted PtBr, and (c) weakly distorted, valence-delocalized (weak charge-density wave) PtI. The compilation of results reported here constitutes a reference resource against which the rapidly expanding experimental data can be compared.

  8. Iron valence state of fine-grained material from the Jupiter family comet 81P/Wild 2 - A coordinated TEM/STEM EDS/STXM study

    NASA Astrophysics Data System (ADS)

    Stodolna, Julien; Gainsforth, Zack; Leroux, Hugues; Butterworth, Anna L.; Tyliszczak, Tolek; Jacob, Damien; Westphal, Andrew J.

    2013-12-01

    The oxidation state of transition metal elements is an indicator of the environmental conditions during formation and history of extraterrestrial materials. We studied the iron valence state of fine-grained material from a bulbous track extracted from the Stardust cometary collector. It likely originated from primitive material of the comet Wild 2. We used synchrotron-based Scanning Transmission X-ray Microscopy (STXM) to collect Fe L3-XANES spectra at a spatial resolution of about 20 nm. Maps of Fe valence state were combined with the elemental maps recorded by energy dispersive X-ray spectroscopy (EDS) with a transmission electron microscope (TEM), on the same areas and with a comparable electron probe size (5-20 nm). As for most Stardust fine-grained material, the samples are severely damaged by the hypervelocity impact in the aerogel collector blocks. They show of a wide range of oxidation state at a micrometer scale, from Fe metal to Fe3+. This heterogeneity of oxidation state can be due to the extreme conditions of the collection. Two major parameters can favor changes in redox state. The first is the high temperature regime, known to be highly heterogeneous and to have locally reached extreme values (up to 2000 K). The second is the local chemical environment. It may contain elements that could favor a reduction or oxidation reaction within the flash-heated Wild 2 fragments. Comparison of maps by STXM and EDS shows evidence for several correlation trends between element concentrations and the iron valence state. These observations, together with the study of a melted rim of a larger particle, suggest that the redox state was not completely redistributed within the impact melts. These local signatures are compatible with precursors that could have been close to primitive matrix material of chondrites or to chondritic interplanetary dust particles. On average, the fine-grained material from Wild 2 displays a molar fraction (Fe2+oxide + Fe3+oxide)/(total Fe

  9. 3D microscope

    NASA Astrophysics Data System (ADS)

    Iizuka, Keigo

    2008-02-01

    In order to circumvent the fact that only one observer can view the image from a stereoscopic microscope, an attachment was devised for displaying the 3D microscopic image on a large LCD monitor for viewing by multiple observers in real time. The principle of operation, design, fabrication, and performance are presented, along with tolerance measurements relating to the properties of the cellophane half-wave plate used in the design.

  10. Creep modulation of Omori law generated by a Coulomb stress perturbation in a 3-D rate-and-state asperity model

    NASA Astrophysics Data System (ADS)

    Dublanchet, P.; Bernard, P.; Favreau, P.

    2013-09-01

    We present numerical simulations conducted with a quasi-dynamic, 3-D rate-and-state asperity model and an analytical approach in order to study the behavior of a seismic asperity surrounded by aseismic creep in response to external Coulomb stress perturbations. This work is inspired by the observation of Omori decay characterizing the recurrence time of isolated repeating earthquakes, such as at the Parkfield segment of the San Andreas Fault during the postseismic phase of the 2004 Mw6 event. Based on the numerical results and on an analysis of phase diagrams, we identify two possible regimes that characterize the response of an asperity surrounded by aseismic creep to a stress step, depending on an effective steady state friction parameter A. For the specific perturbation used in this study, we observe that when A is positive, the relaxation of the system is governed by the response of the creeping segments of the fault, and the asperity ruptures in an Omori sequence. In this regime, we demonstrate that the duration of the relaxation process depends on A. Furthermore, we show that this effective strengthening behavior is equivalent to a subcritical density of asperities meaning that the shape of the Omori decay is controlled by the relative proportion of seismic and aseismic material within the fault. On the other hand, a fault characterized by effective steady state weakening (A<0) behaves like a spring and slider system that loses the memory of the stress perturbation once the first aftershock occurred, at least in the simulations presented here.

  11. 3-D Technology Approaches for Biological Ecologies

    NASA Astrophysics Data System (ADS)

    Liu, Liyu; Austin, Robert; U. S-China Physical-Oncology Sciences Alliance (PS-OA) Team

    Constructing three dimensional (3-D) landscapes is an inevitable issue in deep study of biological ecologies, because in whatever scales in nature, all of the ecosystems are composed by complex 3-D environments and biological behaviors. Just imagine if a 3-D technology could help complex ecosystems be built easily and mimic in vivo microenvironment realistically with flexible environmental controls, it will be a fantastic and powerful thrust to assist researchers for explorations. For years, we have been utilizing and developing different technologies for constructing 3-D micro landscapes for biophysics studies in in vitro. Here, I will review our past efforts, including probing cancer cell invasiveness with 3-D silicon based Tepuis, constructing 3-D microenvironment for cell invasion and metastasis through polydimethylsiloxane (PDMS) soft lithography, as well as explorations of optimized stenting positions for coronary bifurcation disease with 3-D wax printing and the latest home designed 3-D bio-printer. Although 3-D technologies is currently considered not mature enough for arbitrary 3-D micro-ecological models with easy design and fabrication, I hope through my talk, the audiences will be able to sense its significance and predictable breakthroughs in the near future. This work was supported by the State Key Development Program for Basic Research of China (Grant No. 2013CB837200), the National Natural Science Foundation of China (Grant No. 11474345) and the Beijing Natural Science Foundation (Grant No. 7154221).

  12. Influence of disorder on ageing and memory effects in non-equilibrium critical dynamics of 3D Ising model relaxing from an ordered state

    NASA Astrophysics Data System (ADS)

    Prudnikov, Vladimir V.; Prudnikov, Pavel V.; Pospelov, Evgeny A.

    2016-04-01

    We have performed a numerical investigation of the influence of disorder on the dynamical non-equilibrium evolution of a 3D site-diluted Ising model from a low-temperature initial state with magnetization m 0  =  1. It is shown that two-time dependences of the autocorrelation and integrated response functions for systems with spin concentrations p  =  1.0, 0.95, 0.8, 0.6 and 0.5 demonstrate ageing properties with anomalous slowing-down relaxation and violation of the fluctuation-dissipation ratio. It was revealed that during non-equilibrium critical dynamics in the long-time regime t-{{t}\\text{w}}\\gg {{t}\\text{w}}\\gg 1 the autocorrelation functions for diluted systems are extremely slow due to the pinning of domain walls on impurity sites. We have found that the fluctuation-dissipation ratio {{X}∞}=0 for diluted systems with spin concentration p  <  1 while the pure system is characterized by {{X}∞}=0.784(7) . The autocorrelation function power-law delay becomes the same as for the time dependence of the magnetization in the critical point and is characterized by exponent -β /zν . Also, for diluted systems we reveal memory effects for critical evolution in the ageing regime with realization of cyclic temperature change and quenching at T<{{T}\\text{c}} .

  13. Three-step laser excitation of the odd-parity 5s5d 3D → 5s nf 3F states of cadmium

    NASA Astrophysics Data System (ADS)

    Nadeem, Ali; Shah, M.; Haq, S. U.; Shahzada, S.; Mumtaz, M.; Waheed, A.; Nawaz, M.; Ahmed, M.; Baig, M. A.

    2014-07-01

    We report new experimental data on the term energies and effective quantum numbers of the highly excited odd parity states of cadmium in the 71 773-72 500 cm-1 energy range. The experiment was performed using three dye lasers simultaneously pumped by the second harmonic (532 nm) of the Nd;YAG laser. The vapor containment and detection system was a thermionic diode ion detector working in a space charge limited mode. The new observations include the 5snf3F3 (12 ⩽ n ⩽ 52), 5snf3F4 (13 ⩽ n ⩽ 33) and 5snf3F2 (12 ⩽ n ⩽ 22) Rydberg series excited from the 5s5d3D multiplet. A two parameter fit to the transitions energies of the 5snf3F3 series yields the binding energy of the 5snd 2D2 level as 13 042.178 ± 0.02 cm-1 and consequently the first ionization of cadmium is determined as 72 540.05 ± 0.13 cm-1, which is in good agreement with the previously reported value.

  14. Structure of the antiviral stavudine using quantum chemical methods: Complete conformational space analysis, 3D potential energy surfaces and solid state simulations

    NASA Astrophysics Data System (ADS)

    Alcolea Palafox, M.; Iza, N.

    2012-11-01

    The molecular structure and energy of the anti-HIV, 2',3'-didehydro-3'-deoxythymidine (D4T, stavudine or Zerit) nucleoside analogue was determined by using MP2, B3LYP and B971 quantum chemical methods. The global minimum was determined through 3D potential energy surfaces (PES). These surfaces were built by rotation of the exocyclic χ, γ and β torsional angles, in steps of 20°, and full optimization of the remaining parameters. As consequence 5832 geometries were final optimized. The search located 25 local minimum, 4 of which are by MP2 within a 2 kcal/mol electronic energy range of the global minimum. The whole conformational parameters as well as P, νmax were analyzed in all the stable conformers. The global minimum by MP2 corresponds to the calculated values of the exocyclic torsional angles: χ = -103.6°, β = 63.8° and γ = 60.6°. The results obtained are in accordance to those found in thymidine and in related anti-HIV nucleoside analogues. The effect of hydration on the two most stable conformers is analyzed by continuous and discrete models up to 20 water molecules. The solid state was also simulated. The dimer forms found in the crystal unit cell were accurately determined and they are in accordance to the X-ray data.

  15. Hybrid Langmuir and Langmuir-Blodgett films of a viologen derivative and TCNQ in a mixed valence state: preparation route and characterization

    NASA Astrophysics Data System (ADS)

    Martín, Santiago; Cea, Pilar; Lafuente, Carlos; Royo, Félix M.; López, María. C.

    2004-08-01

    Hybrid Langmuir and Langmuir-Blodgett (LB) films containing two moieties of great chemical and electrochemical interest, namely a viologen derivative and tetracyanoquinodimethane (TCNQ) in a mixed valence state, were fabricated. To do so, positively ionized monolayers of 1,1 '-dioctadecyl 4,4 '-bipyridilium were prepared onto aqueous solutions of tetracyanoquinodimethane in a mixed valence state. Surface pressure vs. area ( π- A), surface potential vs. area (Δ V- A), and Brewster angle microscope (BAM) images were recorded and interpreted in terms of molecular interactions as well as the incorporation of the hydrophobic anions into the monolayer. After a comprehensive study, a 10 -6 M TCNQ aqueous solution was chosen as the best one to build hybrid LB films. Thus, the floating films were transferred onto solid substrates that were characterized using several techniques including ultraviolet-visible (UV-vis), infrared (IR), scanning electron microscopy (SEM), and atomic force microscopy (AFM) proving the incorporation of the TCNQ onto the film. These films show a good optical conductivity as well as a high degree of order and layers with a constant architecture.

  16. TACO3D. 3-D Finite Element Heat Transfer Code

    SciTech Connect

    Mason, W.E.

    1992-03-04

    TACO3D is a three-dimensional, finite-element program for heat transfer analysis. An extension of the two-dimensional TACO program, it can perform linear and nonlinear analyses and can be used to solve either transient or steady-state problems. The program accepts time-dependent or temperature-dependent material properties, and materials may be isotropic or orthotropic. A variety of time-dependent and temperature-dependent boundary conditions and loadings are available including temperature, flux, convection, and radiation boundary conditions and internal heat generation. Additional specialized features treat enclosure radiation, bulk nodes, and master/slave internal surface conditions (e.g., contact resistance). Data input via a free-field format is provided. A user subprogram feature allows for any type of functional representation of any independent variable. A profile (bandwidth) minimization option is available. The code is limited to implicit time integration for transient solutions. TACO3D has no general mesh generation capability. Rows of evenly-spaced nodes and rows of sequential elements may be generated, but the program relies on separate mesh generators for complex zoning. TACO3D does not have the ability to calculate view factors internally. Graphical representation of data in the form of time history and spatial plots is provided through links to the POSTACO and GRAPE postprocessor codes.

  17. Density functional study of the stable oxidation states and the binding of oxygen in MO4 clusters of the 3d elements.

    PubMed

    Uzunova, Ellie L

    2011-10-01

    The tetraoxide clusters with stoichiometry MO(4), and the structural isomers with side-on and end-on bonded dioxygen, are studied by DFT with the B1LYP functional. Diperoxides M(O(2))(2) are the most stable clusters at the beginning (Sc, Ti) and at the end of the row (Co-Cu), the latter being planar. For V, Cr, and Mn, the dioxoperoxides O(2)M(O(2)) are the most stable isomers. Low-spin states are dominant for the nonplanar diperoxides M(O(2))(2) and dioxoperoxides O(2)M(O(2)), and the local magnetic moment at the metal cations is small. The local charge on the metal cation center is higher in the diperoxides of Sc and Ti; it drops significantly in the dioxoperoxides of V and Cr. The iron dioxosuperoxide in the (3)A'' state, which contains end-on bonded dioxygen, OOFeO(2), is an exception with higher charge on Fe. In the planar diperoxides of Co, Ni, and Cu, oxygen-to-metal charge transfer is significant, and the local charge on the metal cation is close to 1. In all tetraoxygen clusters of the 3d elements, the cation center remains strongly electrophilic and interacts with Ar atoms from the inert-gas matrix, where the clusters are trapped for IR spectral studies. Significant frequency shifts in the matrix are found for the dioxoperoxide of vanadium, O(2)V(O(2)), the dioxosuperoxide of iron, OOFeO(2), and the nickel diperoxide, Ni(O(2))(2). PMID:21875076

  18. DERIVATION AND SIGNIFICANCE OF VALENCE MOLECULAR CONNECTIVITY

    EPA Science Inventory

    The physical basis for valence molecular connectivity was studied. The sigma sup upsilon and sigma values are cardinal numbers describing the electronic structure of atoms in their valence states. The value (sigma sup upsilon) + (sigma) describes the volume of a bonding atom whil...

  19. Valence-Bond Theory and Chemical Structure.

    ERIC Educational Resources Information Center

    Klein, Douglas J.; Trinajstic, Nenad

    1990-01-01

    Discussed is the importance of valence bond theory on the quantum-mechanical theory of chemical structure and the nature of the chemical bond. Described briefly are early VB theory, development of VB theory, modern versions, solid-state applications, models, treatment in textbooks, and flaws in criticisms of valence bond theory. (KR)

  20. Valence of praseodymium in superconducting Pr(O,F)BiS2 single crystals

    NASA Astrophysics Data System (ADS)

    Ishii, Satoshi; Hongu, Yasuaki; Miura, Akira; Nagao, Masanori

    2016-06-01

    The praseodymium (Pr) valence in superconducting PrO1‑ x F x BiS2 (x = 0.13,0.23) single crystals was evaluated by X-ray photoelectron spectroscopy. The Pr 3d core level is split into 3d3/2 and 3d5/2 levels. Both PrO1‑ x F x BiS2 and Pr2S3, which contain only Pr3+, showed 3d spectra at a lower binding energy than Pr6O11, which contains both Pr3+ and Pr4+. Neither PrO1‑ x F x BiS2 nor Pr2S3 showed the characteristic satellites of Pr4+ in 3d5/2 spectra. The valence fluctuation between the Pr3+ and Pr4+ states was not confirmed, suggesting that Pr3+ is dominant in PrO1‑ x F x BiS2 (x = 0.13,0.23) single crystals.

  1. Multiviewer 3D monitor

    NASA Astrophysics Data System (ADS)

    Kostrzewski, Andrew A.; Aye, Tin M.; Kim, Dai Hyun; Esterkin, Vladimir; Savant, Gajendra D.

    1998-09-01

    Physical Optics Corporation has developed an advanced 3-D virtual reality system for use with simulation tools for training technical and military personnel. This system avoids such drawbacks of other virtual reality (VR) systems as eye fatigue, headaches, and alignment for each viewer, all of which are due to the need to wear special VR goggles. The new system is based on direct viewing of an interactive environment. This innovative holographic multiplexed screen technology makes it unnecessary for the viewer to wear special goggles.

  2. 3D Audio System

    NASA Technical Reports Server (NTRS)

    1992-01-01

    Ames Research Center research into virtual reality led to the development of the Convolvotron, a high speed digital audio processing system that delivers three-dimensional sound over headphones. It consists of a two-card set designed for use with a personal computer. The Convolvotron's primary application is presentation of 3D audio signals over headphones. Four independent sound sources are filtered with large time-varying filters that compensate for motion. The perceived location of the sound remains constant. Possible applications are in air traffic control towers or airplane cockpits, hearing and perception research and virtual reality development.

  3. 3D Surgical Simulation

    PubMed Central

    Cevidanes, Lucia; Tucker, Scott; Styner, Martin; Kim, Hyungmin; Chapuis, Jonas; Reyes, Mauricio; Proffit, William; Turvey, Timothy; Jaskolka, Michael

    2009-01-01

    This paper discusses the development of methods for computer-aided jaw surgery. Computer-aided jaw surgery allows us to incorporate the high level of precision necessary for transferring virtual plans into the operating room. We also present a complete computer-aided surgery (CAS) system developed in close collaboration with surgeons. Surgery planning and simulation include construction of 3D surface models from Cone-beam CT (CBCT), dynamic cephalometry, semi-automatic mirroring, interactive cutting of bone and bony segment repositioning. A virtual setup can be used to manufacture positioning splints for intra-operative guidance. The system provides further intra-operative assistance with the help of a computer display showing jaw positions and 3D positioning guides updated in real-time during the surgical procedure. The CAS system aids in dealing with complex cases with benefits for the patient, with surgical practice, and for orthodontic finishing. Advanced software tools for diagnosis and treatment planning allow preparation of detailed operative plans, osteotomy repositioning, bone reconstructions, surgical resident training and assessing the difficulties of the surgical procedures prior to the surgery. CAS has the potential to make the elaboration of the surgical plan a more flexible process, increase the level of detail and accuracy of the plan, yield higher operative precision and control, and enhance documentation of cases. Supported by NIDCR DE017727, and DE018962 PMID:20816308

  4. Effect of Pr Valence State on Interfacial Structure and Electrical Properties of Pr Oxide/PrON/Ge Gate Stack Structure

    NASA Astrophysics Data System (ADS)

    Kato, Kimihiko; Sakashita, Mitsuo; Takeuchi, Wakana; Kondo, Hiroki; Nakatsuka, Osamu; Zaima, Shigeaki

    2011-04-01

    In this study, we investigated the valence state and chemical bonding state of Pr in a Pr oxide/PrON/Ge structure. We clarified the relationship between the valence state of Pr and the Pr oxide/Ge interfacial reaction using Pr oxide/Ge and Pr oxide/PrON/Ge samples. We found the formation of three Pr oxide phases in Pr oxide films; hexagonal Pr2O3 (h-Pr2O3) (Pr3+), cubic Pr2O3 (c-Pr2O3) (Pr3+), and c-PrO2 (Pr4+). We also investigated the effect of a nitride interlayer on the interfacial reaction in Pr oxide/Ge gate stacks. In a sample with a nitride interlayer (Pr oxide/PrON/Ge), metallic Pr-Pr bonds are also formed in the c-Pr2O3 film. After annealing in H2 ambient, the diffusion of Ge into Pr oxide is not observed in this sample. Pr-Pr bonds probably prevent the interfacial reaction and Ge oxide formation, considering that the oxygen chemical potential of this film is lower than that of a GeO2/Ge system. On the other hand, the rapid thermal oxidation (RTO) treatment terminates the O vacancies and defects in c-Pr2O3. As a result, c-PrO2 with tetravalent Pr is formed in the Pr oxide/PrON/Ge sample with RTO. In this sample, the leakage current density is effectively decreased in comparison with the sample without RTO. Hydrogen termination works effectively in Pr oxide/PrON/Ge samples with and without RTO, and we can achieve an interface state density of as low as 4 ×1011 eV-1·cm-2.

  5. Quantitative analysis of cation mixing and local valence states in LiNixMn2-xO4 using concurrent HARECXS and HARECES measurements.

    PubMed

    Yamamoto, Yu; Kataoka, Kunimitsu; Akimoto, Junji; Tatsumi, Kazuyoshi; Kousaka, Takashi; Ohnishi, Jun; Takahashi, Teruo; Muto, Shunsuke

    2016-06-01

    Cation mixing in positive electrode materials for rechargeable lithium ion batteries, LiNixMn2-xO4 (x = 0, 0.2, 0.5) and Li0.21Ni0.7Mn1.64O4-δ (denoted as x = 0.7), is analyzed by high-angular-resolution electron-channeling X-ray/electron spectroscopy (HARECXS/HARECES) techniques, using energy-dispersive X-ray spectroscopy and electron energy-loss spectroscopy. Mixing between the tetrahedral lithium sites and the octahedral transition metal sites is quantified, and the site-dependent valence states of the transition metals are examined. In the non-doped (x = 0) sample, Mn was found to occupy only octahedral sites as either Mn(3+) or Mn(4+) For x = 0.2-0.7, some of the nickel ions (6-13% depending on x) occupy tetrahedral anti-sites. All the nickel ions are in the divalent state, regardless of the occupation site. For x = 0.2 and 0.7, manganese ions occupy both octahedral and tetrahedral sites; those in the octahedral sites are tetravalent, while the tetrahedral sites contain a mixture of divalent and trivalent ions. For x = 0.5, manganese occupies only the octahedral sites, with all ions determined to be in the tetravalent state (within experimental accuracy). All the samples substantially satisfied the local charge neutrality conditions. This study demonstrates the feasibility of using HARECXS/HARECES for quantitative analysis of the atomic configuration and valence states in lithium manganese oxide spinel materials. PMID:26989108

  6. Effects of 3d and 4d transition metal substitutional impurities on the electronic properties of CrO2

    NASA Astrophysics Data System (ADS)

    Williams, M. E.; Sims, H.; Mazumdar, D.; Butler, W. H.

    2012-12-01

    We present first-principles-based density functional theory calculations of the electronic and magnetic structure of CrO2 with 3d and 4d substitutional impurities. We find that the half-metallicity of CrO2 remains intact for the ground state of all of the calculated substitutions. We also observe two periodic trends as a function of the number of valence electrons: if the substituted atom has six or fewer valence electrons, the number of down spin electrons associated with the impurity ion is zero, resulting in ferromagnetic alignment of the impurity magnetic moment with the magnetization of the CrO2 host. For substituent atoms with eight to ten valence electrons (with the exception of Ni), the number of down-spin electrons contributed by the impurity ion remains fixed at three as the number contributed to the majority increases from one to three resulting in antiferromagnetic alignment between impurity moment and host magnetization. In impurities with seven valence electrons, the zero down-spin and threse down-spin configurations are very close in energy. At 11 valence electrons, the energy is minimized when the substituent ion contributes five down-spin electrons. The moments on the 4d impurities, particularly Nb and Mo, tend to be delocalized compared with those of the 3ds.

  7. Singlet-triplet energy splitting between 1D and 3D (1s2 2s nd), n = 3, 4, 5, and 6, Rydberg states of the beryllium atom (9Be) calculated with all-electron explicitly correlated Gaussian functions

    NASA Astrophysics Data System (ADS)

    Sharkey, Keeper L.; Bubin, Sergiy; Adamowicz, Ludwik

    2014-11-01

    Accurate variational nonrelativistic quantum-mechanical calculations are performed for the five lowest 1D and four lowest 3D states of the 9Be isotope of the beryllium atom. All-electron explicitly correlated Gaussian (ECG) functions are used in the calculations and their nonlinear parameters are optimized with the aid of the analytical energy gradient determined with respect to these parameters. The effect of the finite nuclear mass is directly included in the Hamiltonian used in the calculations. The singlet-triplet energy gaps between the corresponding 1D and 3D states, are reported.

  8. 3D polarimetric purity

    NASA Astrophysics Data System (ADS)

    Gil, José J.; San José, Ignacio

    2010-11-01

    From our previous definition of the indices of polarimetric purity for 3D light beams [J.J. Gil, J.M. Correas, P.A. Melero and C. Ferreira, Monogr. Semin. Mat. G. de Galdeano 31, 161 (2004)], an analysis of their geometric and physical interpretation is presented. It is found that, in agreement with previous results, the first parameter is a measure of the degree of polarization, whereas the second parameter (called the degree of directionality) is a measure of the mean angular aperture of the direction of propagation of the corresponding light beam. This pair of invariant, non-dimensional, indices of polarimetric purity contains complete information about the polarimetric purity of a light beam. The overall degree of polarimetric purity is obtained as a weighted quadratic average of the degree of polarization and the degree of directionality.

  9. 3D field harmonics

    SciTech Connect

    Caspi, S.; Helm, M.; Laslett, L.J.

    1991-03-30

    We have developed an harmonic representation for the three dimensional field components within the windings of accelerator magnets. The form by which the field is presented is suitable for interfacing with other codes that make use of the 3D field components (particle tracking and stability). The field components can be calculated with high precision and reduced cup time at any location (r,{theta},z) inside the magnet bore. The same conductor geometry which is used to simulate line currents is also used in CAD with modifications more readily available. It is our hope that the format used here for magnetic fields can be used not only as a means of delivering fields but also as a way by which beam dynamics can suggest correction to the conductor geometry. 5 refs., 70 figs.

  10. 'Bonneville' in 3-D!

    NASA Technical Reports Server (NTRS)

    2004-01-01

    The Mars Exploration Rover Spirit took this 3-D navigation camera mosaic of the crater called 'Bonneville' after driving approximately 13 meters (42.7 feet) to get a better vantage point. Spirit's current position is close enough to the edge to see the interior of the crater, but high enough and far enough back to get a view of all of the walls. Because scientists and rover controllers are so pleased with this location, they will stay here for at least two more martian days, or sols, to take high resolution panoramic camera images of 'Bonneville' in its entirety. Just above the far crater rim, on the left side, is the rover's heatshield, which is visible as a tiny reflective speck.

  11. Effect of carrier density and valence states on superconductivity of oxygen annealed Fe{sub 1.06}Te{sub 0.6}Se{sub 0.4} single crystals

    SciTech Connect

    Su, T. S.; Yin, Y. W. E-mail: lixg@ustc.edu.cn; Teng, M. L.; Gong, Z. Z.; Zhang, M. J.; Li, X. G. E-mail: lixg@ustc.edu.cn

    2013-11-14

    The variations of carrier density and valence states in oxygen annealed Fe{sub 1.06}Te{sub 0.6}Se{sub 0.4} single crystals were studied systematically. It was found that the carrier density n{sub H} increases after oxygen annealing by Hall coefficient measurements. The X-ray photoelectron spectroscopy experiments reveal that the oxygen annealing changes Fe{sup 0} and Te{sup 0} states to Fe{sup 2+/3+} and Te{sup 4+}, respectively, while the valence variation of Se is negligible. Our results indicate that the improvement of superconductivity, such as the zero resistance transition temperature T{sub c}{sup zero}, shielding and Meissner fraction value 4πχ and upper critical field H{sub c2}, could be closely related to the proper manipulation of n{sub H} and the valence states by oxygen annealing in the system.

  12. Spectroscopic and Kinetic Investigation of the Fully Reduced and Mixed Valence States of ba3-Cytochrome c Oxidase from Thermus thermophilus

    PubMed Central

    Koutsoupakis, Constantinos; Soulimane, Tewfik; Varotsis, Constantinos

    2012-01-01

    The complete understanding of a molecular mechanism of action requires the thermodynamic and kinetic characterization of different states and intermediates. Cytochrome c oxidase reduces O2 to H2O, a reaction coupled to proton translocation across the membrane. Therefore, it is necessary to undertake a thorough characterization of the reduced form of the enzyme and the determination of the electron transfer processes and pathways between the redox-active centers. In this study Fourier transform infrared (FTIR) and time-resolved step-scan FTIR spectroscopy have been applied to study the fully reduced and mixed valence states of cytochrome ba3 from Thermus thermophilus. We used as probe carbon monoxide (CO) to characterize both thermodynamically and kinetically the cytochrome ba3-CO complex in the 5.25–10.10 pH/pD range and to study the reverse intramolecular electron transfer initiated by the photolysis of CO in the two-electron reduced form. The time-resolved step-scan FTIR data revealed no pH/pD dependence in both the decay of the transient CuB1+-CO complex and rebinding to heme a3 rates, suggesting that no structural change takes place in the vicinity of the binuclear center. Surprisingly, photodissociation of CO from the mixed valence form of the enzyme does not lead to reverse electron transfer from the reduced heme a3 to the oxidized low-spin heme b, as observed in all the other aa3 and bo3 oxidases previously examined. The heme b-heme a3 electron transfer is guaranteed, and therefore, there is no need for structural rearrangements and complex synchronized cooperativities. Comparison among the available structures of ba3- and aa3-cytochrome c oxidases identifies possible active pathways involved in the electron transfer processes and key structural elements that contribute to the different behavior observed in cytochrome ba3. PMID:22927441

  13. Method for optimal sensor deployment on 3D terrains utilizing a steady state genetic algorithm with a guided walk mutation operator based on the wavelet transform.

    PubMed

    Unaldi, Numan; Temel, Samil; Asari, Vijayan K

    2012-01-01

    One of the most critical issues of Wireless Sensor Networks (WSNs) is the deployment of a limited number of sensors in order to achieve maximum coverage on a terrain. The optimal sensor deployment which enables one to minimize the consumed energy, communication time and manpower for the maintenance of the network has attracted interest with the increased number of studies conducted on the subject in the last decade. Most of the studies in the literature today are proposed for two dimensional (2D) surfaces; however, real world sensor deployments often arise on three dimensional (3D) environments. In this paper, a guided wavelet transform (WT) based deployment strategy (WTDS) for 3D terrains, in which the sensor movements are carried out within the mutation phase of the genetic algorithms (GAs) is proposed. The proposed algorithm aims to maximize the Quality of Coverage (QoC) of a WSN via deploying a limited number of sensors on a 3D surface by utilizing a probabilistic sensing model and the Bresenham's line of sight (LOS) algorithm. In addition, the method followed in this paper is novel to the literature and the performance of the proposed algorithm is compared with the Delaunay Triangulation (DT) method as well as a standard genetic algorithm based method and the results reveal that the proposed method is a more powerful and more successful method for sensor deployment on 3D terrains. PMID:22666078

  14. Method for Optimal Sensor Deployment on 3D Terrains Utilizing a Steady State Genetic Algorithm with a Guided Walk Mutation Operator Based on the Wavelet Transform

    PubMed Central

    Unaldi, Numan; Temel, Samil; Asari, Vijayan K.

    2012-01-01

    One of the most critical issues of Wireless Sensor Networks (WSNs) is the deployment of a limited number of sensors in order to achieve maximum coverage on a terrain. The optimal sensor deployment which enables one to minimize the consumed energy, communication time and manpower for the maintenance of the network has attracted interest with the increased number of studies conducted on the subject in the last decade. Most of the studies in the literature today are proposed for two dimensional (2D) surfaces; however, real world sensor deployments often arise on three dimensional (3D) environments. In this paper, a guided wavelet transform (WT) based deployment strategy (WTDS) for 3D terrains, in which the sensor movements are carried out within the mutation phase of the genetic algorithms (GAs) is proposed. The proposed algorithm aims to maximize the Quality of Coverage (QoC) of a WSN via deploying a limited number of sensors on a 3D surface by utilizing a probabilistic sensing model and the Bresenham's line of sight (LOS) algorithm. In addition, the method followed in this paper is novel to the literature and the performance of the proposed algorithm is compared with the Delaunay Triangulation (DT) method as well as a standard genetic algorithm based method and the results reveal that the proposed method is a more powerful and more successful method for sensor deployment on 3D terrains. PMID:22666078

  15. Mediated resonance effect of the vanadium 3d states on phase stability in the Al8V5 γ -brass studied by first-principles FLAPW and LMTO-ASA electronic structure calculations

    NASA Astrophysics Data System (ADS)

    Mizutani, U.; Asahi, R.; Sato, H.; Takeuchi, T.

    2006-12-01

    The mechanism for the stability of the Al8V5γ -brass containing 52 atoms in its cubic unit cell has been investigated by means of first-principles full-potential linearized augmented plane wave (FLAPW) and linearized muffin-tin orbital-atomic sphere approximation (LMTO-ASA) electronic structure calculations. The LMTO-ASA identified a deep valley at 0.5eV above the Fermi level in its density of states (DOS) as arising from orbital hybridizations between V 3d and Al 3p states. On the other hand, the FLAPW revealed the V 3d states mediated resonance of electrons with different sets of lattice planes. The resonance involved is found to be substantial not only at ∣G∣2=18 or {330} and {411} zones but also at those in the range 14⩽∣G∣2⩽30 . A comparison with the electronic structure of the CsCl-type AlV compound proved that the V 3d states mediated resonance occurs only in Al8V5 but not in AlV compound. The V 3d states mediated resonance is proved to result in a significant suppression of the sp -partial DOS over the energy range from the Fermi level up to +2.2eV . A gain in the electronic energy has been attributed to the formation of highly condensed bonding states below the Fermi level, again caused by the V 3d states mediated resonance. It is also proposed that the Al8V5 is stabilized at e/a=1.94 rather than 21/13 as is expected from the Hume-Rothery electron concentration rule.

  16. Topology dictionary for 3D video understanding.

    PubMed

    Tung, Tony; Matsuyama, Takashi

    2012-08-01

    This paper presents a novel approach that achieves 3D video understanding. 3D video consists of a stream of 3D models of subjects in motion. The acquisition of long sequences requires large storage space (2 GB for 1 min). Moreover, it is tedious to browse data sets and extract meaningful information. We propose the topology dictionary to encode and describe 3D video content. The model consists of a topology-based shape descriptor dictionary which can be generated from either extracted patterns or training sequences. The model relies on 1) topology description and classification using Reeb graphs, and 2) a Markov motion graph to represent topology change states. We show that the use of Reeb graphs as the high-level topology descriptor is relevant. It allows the dictionary to automatically model complex sequences, whereas other strategies would require prior knowledge on the shape and topology of the captured subjects. Our approach serves to encode 3D video sequences, and can be applied for content-based description and summarization of 3D video sequences. Furthermore, topology class labeling during a learning process enables the system to perform content-based event recognition. Experiments were carried out on various 3D videos. We showcase an application for 3D video progressive summarization using the topology dictionary. PMID:22745004

  17. Mapping the 3D Geometry of the San Leandro Block of the Hayward Fault Zone Using Geologic, Geophysical and Remote Sensing Data, California State University, East Bay Campus

    NASA Astrophysics Data System (ADS)

    McEvilly, A.; Abimbola, A.; Chan, J. H.; Strayer, L. M.

    2015-12-01

    California State University, East Bay (CSUEB), located in Hayward, California, lies atop the San Leandro block (SLB) in the Hayward fault zone. The SLB is a J-K aged lithotectonic assemblage dominated by gabbro and intercalated with minor volcanics and sediments. It is bound by the subparallel northwest-trending western Hayward and eastern Chabot (CF) faults and pervasively cut by anastomosing secondary faults. The block itself is ~30 km along strike and 2-3 km wide. Previous studies suggest the block dips steeply to the northeast and extends to a depth of at least 7 km. In May of 2015, as part of an ongoing collaborative effort led by the USGS to create a 3D velocity model of the San Francisco Bay Area, researchers from CSUEB and the USGS conducted a seismic survey on the CSUEB campus. The primary goal of this pilot study was to locate the trace of the CF on the CSUEB campus and to determine bedrock depth. We deployed a 60-channel, 300m profile using 4.5Hz sensors spaced at 5m intervals. Active seismic sources were used at each geophone location. A 226kg accelerated weight-drop was used to generate P and Rayleigh waves for P-wave tomography and multichannel analysis of surface waves (MASW), and a 3.5kg sledgehammer and block were used to generate S and Love waves for S-wave tomography and multichannel analysis of Love waves (MALW). Preliminary P-wave tomography, MASW, and MALW results from this pilot study suggest the location of an eastward-dipping CF as well as the presence of a high-velocity unit at about 20m depth, presumably an unmapped sliver of bedrock from the San Leandro block. Further studies planned for the fall of 2015 include additional seismic lines and surface mapping along the Chabot fault on and near the CSUEB campus. These new geophysical, GPS, and field geological data will be integrated with LiDAR imagery and existing geological, gravity and magnetic maps to create a 3-dimensional model of the portion of the SLB that contains the CSUEB campus.

  18. Prominent rocks - 3D

    NASA Technical Reports Server (NTRS)

    1997-01-01

    Many prominent rocks near the Sagan Memorial Station are featured in this image, taken in stereo by the Imager for Mars Pathfinder (IMP) on Sol 3. 3D glasses are necessary to identify surface detail. Wedge is at lower left; Shark, Half-Dome, and Pumpkin are at center. Flat Top, about four inches high, is at lower right. The horizon in the distance is one to two kilometers away.

    Mars Pathfinder is the second in NASA's Discovery program of low-cost spacecraft with highly focused science goals. The Jet Propulsion Laboratory, Pasadena, CA, developed and manages the Mars Pathfinder mission for NASA's Office of Space Science, Washington, D.C. JPL is an operating division of the California Institute of Technology (Caltech). The Imager for Mars Pathfinder (IMP) was developed by the University of Arizona Lunar and Planetary Laboratory under contract to JPL. Peter Smith is the Principal Investigator.

    Click below to see the left and right views individually. [figure removed for brevity, see original site] Left [figure removed for brevity, see original site] Right

  19. 'Diamond' in 3-D

    NASA Technical Reports Server (NTRS)

    2004-01-01

    This 3-D, microscopic imager mosaic of a target area on a rock called 'Diamond Jenness' was taken after NASA's Mars Exploration Rover Opportunity ground into the surface with its rock abrasion tool for a second time.

    Opportunity has bored nearly a dozen holes into the inner walls of 'Endurance Crater.' On sols 177 and 178 (July 23 and July 24, 2004), the rover worked double-duty on Diamond Jenness. Surface debris and the bumpy shape of the rock resulted in a shallow and irregular hole, only about 2 millimeters (0.08 inch) deep. The final depth was not enough to remove all the bumps and leave a neat hole with a smooth floor. This extremely shallow depression was then examined by the rover's alpha particle X-ray spectrometer.

    On Sol 178, Opportunity's 'robotic rodent' dined on Diamond Jenness once again, grinding almost an additional 5 millimeters (about 0.2 inch). The rover then applied its Moessbauer spectrometer to the deepened hole. This double dose of Diamond Jenness enabled the science team to examine the rock at varying layers. Results from those grindings are currently being analyzed.

    The image mosaic is about 6 centimeters (2.4 inches) across.

  20. Study of the collagen structure in the superficial zone and physiological state of articular cartilage using a 3D confocal imaging technique

    PubMed Central

    Wu, Jian P; Kirk, Thomas B; Zheng, Ming H

    2008-01-01

    Introduction The collagen structure in the superficial zone of articular cartilage is critical to the tissue's durability. Early osteoarthritis is often characterized with fissures on the articular surface. This is closely related to the disruption of the collagen network. However, the traditional histology can not offer visualization of the collagen structure in articular cartilage because it uses conventional optical microscopy that does not have insufficient imaging resolution to resolve collagen from proteoglycans in hyaline articular cartilage. This study examines the 3D collagen network of articular cartilage scored from 0 to 2 in the scoring system of International Cartilage Repair Society, and aims to develop a 3D histology for assessing early osteoarthritis. Methods Articular cartilage was visually classified into five physiological groups: normal cartilage, aged cartilage, cartilage with artificial and natural surface disruption, and fibrillated. The 3D collagen matrix of the cartilage was acquired using a 3D imaging technique developed previously. Traditional histology was followed to grade the physiological status of the cartilage in the scoring system of International Cartilage Repair Society. Results Normal articular cartilage contains interwoven collagen bundles near the articular surface, approximately within the lamina splendens. However, its collagen fibres in the superficial zone orient predominantly in a direction spatially oblique to the articular surface. With age and disruption of the articular surface, the interwoven collagen bundles are gradually disappeared, and obliquely oriented collagen fibres change to align predominantly in a direction spatially perpendicular to the articular surface. Disruption of the articular surface is well related to the disappearance of the interwoven collagen bundles. Conclusion A 3D histology has been developed to supplement the traditional histology and study the subtle changes in the collagen network in the

  1. Avoided valence transition in a plutonium superconductor

    PubMed Central

    Ramshaw, B. J.; Shekhter, Arkady; McDonald, Ross D.; Betts, Jon B.; Mitchell, J. N.; Tobash, P. H.; Mielke, C. H.; Bauer, E. D.; Migliori, Albert

    2015-01-01

    The d and f electrons in correlated metals are often neither fully localized around their host nuclei nor fully itinerant. This localized/itinerant duality underlies the correlated electronic states of the high-Tc cuprate superconductors and the heavy-fermion intermetallics and is nowhere more apparent than in the 5f valence electrons of plutonium. Here, we report the full set of symmetry-resolved elastic moduli of PuCoGa5—the highest Tc superconductor of the heavy fermions (Tc = 18.5 K)—and find that the bulk modulus softens anomalously over a wide range in temperature above Tc. The elastic symmetry channel in which this softening occurs is characteristic of a valence instability—therefore, we identify the elastic softening with fluctuations of the plutonium 5f mixed-valence state. These valence fluctuations disappear when the superconducting gap opens at Tc, suggesting that electrons near the Fermi surface play an essential role in the mixed-valence physics of this system and that PuCoGa5 avoids a valence transition by entering the superconducting state. The lack of magnetism in PuCoGa5 has made it difficult to reconcile with most other heavy-fermion superconductors, where superconductivity is generally believed to be mediated by magnetic fluctuations. Our observations suggest that valence fluctuations play a critical role in the unusually high Tc of PuCoGa5. PMID:25737548

  2. Avoided valence transition in a plutonium superconductor.

    PubMed

    Ramshaw, B J; Shekhter, Arkady; McDonald, Ross D; Betts, Jon B; Mitchell, J N; Tobash, P H; Mielke, C H; Bauer, E D; Migliori, Albert

    2015-03-17

    The d and f electrons in correlated metals are often neither fully localized around their host nuclei nor fully itinerant. This localized/itinerant duality underlies the correlated electronic states of the high-Tc cuprate superconductors and the heavy-fermion intermetallics and is nowhere more apparent than in the 5f valence electrons of plutonium. Here, we report the full set of symmetry-resolved elastic moduli of PuCoGa5--the highest Tc superconductor of the heavy fermions (Tc = 18.5 K)--and find that the bulk modulus softens anomalously over a wide range in temperature above Tc. The elastic symmetry channel in which this softening occurs is characteristic of a valence instability--therefore, we identify the elastic softening with fluctuations of the plutonium 5f mixed-valence state. These valence fluctuations disappear when the superconducting gap opens at Tc, suggesting that electrons near the Fermi surface play an essential role in the mixed-valence physics of this system and that PuCoGa5 avoids a valence transition by entering the superconducting state. The lack of magnetism in PuCoGa5 has made it difficult to reconcile with most other heavy-fermion superconductors, where superconductivity is generally believed to be mediated by magnetic fluctuations. Our observations suggest that valence fluctuations play a critical role in the unusually high Tc of PuCoGa5. PMID:25737548

  3. Valence states and metamagnetic phase transition in partially B -site-disordered perovskite EuMn0.5Co0.5O3

    NASA Astrophysics Data System (ADS)

    Vasiliev, A. N.; Volkova, O. S.; Lobanovskii, L. S.; Troyanchuk, I. O.; Hu, Z.; Tjeng, L. H.; Khomskii, D. I.; Lin, H.-J.; Chen, C. T.; Tristan, N.; Kretzschmar, F.; Klingeler, R.; Büchner, B.

    2008-03-01

    The valence states of transition metals were studied by measuring the x-ray absorption spectra at both MnL2,3 and CoL2,3 edges of partially B -site-disordered perovskite EuMn0.5Co0.5O3 . By comparison with analogous spectra in various Co- and Mn-based compounds, the divalent state of the Co ions and the tetravalent state of the Mn ions were established analogous to Mn4+/Co2+ charge ordering found by Dass and Goodenough [Phys. Rev. B 67, 014401 (2003)] in LaMn0.5Co0.5O3 . The specific heat and magnetic susceptibility data indicate the formation of the magnetically ordered state at TC˜120K . The first-order metamagnetic transitions seen in EuMn0.5Co0.5O3 at T

  4. A high capacity 3D steganography algorithm.

    PubMed

    Chao, Min-Wen; Lin, Chao-hung; Yu, Cheng-Wei; Lee, Tong-Yee

    2009-01-01

    In this paper, we present a very high-capacity and low-distortion 3D steganography scheme. Our steganography approach is based on a novel multilayered embedding scheme to hide secret messages in the vertices of 3D polygon models. Experimental results show that the cover model distortion is very small as the number of hiding layers ranges from 7 to 13 layers. To the best of our knowledge, this novel approach can provide much higher hiding capacity than other state-of-the-art approaches, while obeying the low distortion and security basic requirements for steganography on 3D models. PMID:19147891

  5. Valence State Driven Site Preference in the Quaternary Compound Ca5MgAgGe5: An Electron-Deficient Phase with Optimized Bonding

    SciTech Connect

    Ponou, Simeon; Lidin, Sven; Zhang, Yuemei; Miller, Gordon J.

    2014-04-18

    The quaternary phase Ca5Mg0.95Ag1.05(1)Ge5 (3) was synthesized by high-temperature solid-state techniques, and its crystal structure was determined by single-crystal diffraction methods in the orthorhombic space group Pnma – Wyckoff sequence c12 with a = 23.1481(4) Å, b = 4.4736(1) Å, c = 11.0128(2) Å, V = 1140.43(4) Å3, Z = 4. The crystal structure can be described as linear intergrowths of slabs cut from the CaGe (CrB-type) and the CaMGe (TiNiSi-type; M = Mg, Ag) structures. Hence, 3 is a hettotype of the hitherto missing n = 3 member of the structure series with the general formula R2+nT2X2+n, previously described with n = 1, 2, and 4. The member with n = 3 was predicted in the space group Cmcm – Wyckoff sequence f5c2. The experimental space group Pnma (in the nonstandard setting Pmcn) corresponds to a klassengleiche symmetry reduction of index two of the predicted space group Cmcm. This transition originates from the switching of one Ge and one Ag position in the TiNiSi-related slab, a process that triggers an uncoupling of each of the five 8f sites in Cmcm into two 4c sites in Pnma. The Mg/Ag site preference was investigated using VASP calculations and revealed a remarkable example of an intermetallic compound for which the electrostatic valency principle is a critical structure-directing force. The compound is deficient by one valence electron according to the Zintl concept, but LMTO electronic structure calculations indicate electronic stabilization and overall bonding optimization in the polyanionic network. Other stability factors beyond the Zintl concept that may account for the electronic stabilization are discussed.

  6. Comparative Planetary Mineralogy: Valence State Partitioning of Cr, Fe, Ti, and V Among Crystallographic Sites in Olivine, Pyroxene, and Spinel from Planetary Basalts

    NASA Technical Reports Server (NTRS)

    Papike, J. J.; Karner, J. M.; Shearer, C. K.

    2005-01-01

    We have considered the valence-state partitioning of Cr, Fe, Ti, and V over crystallographic sites in olivine, pyroxene, and spinel from planetary basalts. The sites that accommodate these cations are the M2 site (6-8 coordinated) and M1 site (6 coordinated) in pyroxene, the M2 site (6-8 coordinated) and M1 site (6 coordinated) in olivine, and the tetrahedral and octahedral sites in spinel. The samples we studied are basalts from Earth, Moon, and Mars, which have fO2 conditions that range from IW-2 (Moon) to IW+6 (Earth) with Mars somewhere between at IW to IW+2. In this range of fO2 the significant elemental valences are (from low to high fO2) Ti4+, V3+, Fe2+, Cr2+, Cr3+, V3+, V4+, and Fe3+. V2+ and Ti3+ play a minor role in the phases considered for the Moon, and are probably in very low concentrations. V5+ plays a minor role in these phases in terrestrial basalts because it is probably in lower abundance than V4+ and it has an ionic radii that is so small (0.054 nm, 6- coordinated,[1]) that it is almost at the lower limit for octahedral coordination. The role of Cr2+ in the Moon is significant, as Sutton et al. [2] found that lunar olivine contains mostly Cr2+ while coexisting pyroxene contains mostly Cr3+. Hanson one vacancy only accommodates one V4+. Thus more vacancies are required in V4+ substitutions into olivine. In the Moon V3+ is much more abundant than V4+ [7, 8]. Thus in lunar chromite V3+ follows Cr3+, whereas in Earth V4+ (which is much greater in abundance than V3+) follows Ti4+ (eg in ulv spinel). We could go on in this vein for some time but space limitations do not permit us to do so.

  7. Exporting superconductivity across the gap: Proximity effect for semiconductor valence-band states due to contact with a simple-metal superconductor

    NASA Astrophysics Data System (ADS)

    Moghaddam, A. G.; Kernreiter, T.; Governale, M.; Zülicke, U.

    2014-05-01

    The proximity effect refers to the phenomenon whereby superconducting properties are induced in a normal conductor that is in contact with an intrinsically superconducting material. In particular, the combination of nanostructured semiconductors with bulk superconductors is of interest because these systems can host unconventional electronic excitations such as Majorana fermions when the semiconductor's charge carriers are subject to a large spin-orbit coupling. The latter requirement generally favors the use of hole-doped semiconductors. On the other hand, basic symmetry considerations imply that states from typical simple-metal superconductors will predominantly couple to a semiconductor's conduction-band states and, therefore, in the first instance generate a proximity effect for band electrons rather than holes. In this article, we show how the superconducting correlations in the conduction band are transferred also to hole states in the valence band by virtue of interband coupling. A general theory of the superconducting proximity effect for bulk and low-dimensional hole systems is presented. The interplay of interband coupling and quantum confinement is found to result in unusual wave-vector dependencies of the induced superconducting gap parameters. One particularly appealing consequence is the density tunability of the proximity effect in hole quantum wells and nanowires, which creates new possibilities for manipulating the transition to nontrivial topological phases in these systems.

  8. Medical 3D Printing for the Radiologist.

    PubMed

    Mitsouras, Dimitris; Liacouras, Peter; Imanzadeh, Amir; Giannopoulos, Andreas A; Cai, Tianrun; Kumamaru, Kanako K; George, Elizabeth; Wake, Nicole; Caterson, Edward J; Pomahac, Bohdan; Ho, Vincent B; Grant, Gerald T; Rybicki, Frank J

    2015-01-01

    While use of advanced visualization in radiology is instrumental in diagnosis and communication with referring clinicians, there is an unmet need to render Digital Imaging and Communications in Medicine (DICOM) images as three-dimensional (3D) printed models capable of providing both tactile feedback and tangible depth information about anatomic and pathologic states. Three-dimensional printed models, already entrenched in the nonmedical sciences, are rapidly being embraced in medicine as well as in the lay community. Incorporating 3D printing from images generated and interpreted by radiologists presents particular challenges, including training, materials and equipment, and guidelines. The overall costs of a 3D printing laboratory must be balanced by the clinical benefits. It is expected that the number of 3D-printed models generated from DICOM images for planning interventions and fabricating implants will grow exponentially. Radiologists should at a minimum be familiar with 3D printing as it relates to their field, including types of 3D printing technologies and materials used to create 3D-printed anatomic models, published applications of models to date, and clinical benefits in radiology. Online supplemental material is available for this article. PMID:26562233

  9. Spin polarization and magnetic dichroism in photoemission from core and valence states in localized magnetic systems. IV. Core-hole polarization in resonant photoemission

    NASA Astrophysics Data System (ADS)

    van der Laan, Gerrit; Thole, B. T.

    1995-12-01

    A simple theory is presented for core-hole polarization probed by resonant photoemission in a two-steps approximation. After excitation from a core level to the valence shell, the core hole decays into two shallower core holes under emission of an electron. The nonspherical core hole and the final state selected cause a specific angle and spin distribution of the emitted electron. The experiment is characterized by the ground-state moments, the polarization of the light, and the spin and angular distribution of the emitted electron. The intensity is a sum over ground-state expectation values of tensor operators times the probability to create a polarized core hole using polarized light, times the probability for decay of such a core hole into the final state. We give general expressions for the angle- and spin-dependent intensities in various regimes of Coulomb and spin-orbit interaction: LS, LSJ, and jjJ coupling. The core-polarization analysis, which generalizes the use of sum rules in x-ray absorption spectroscopy where the integrated peak intensities give ground-state expectation values of the spin and orbital moment operators, makes it possible to measure different linear combinations of these operators. As an application the 2p3/23p3p decay in ferromagnetic nickel is calculated using Hartree-Fock values for the radial matrix elements and phase factors, and compared with experiment, the dichroism is smaller in the 3P final state but stronger in the 1D, 1S peak.

  10. Tailoring copper valence states in CuOδ/γ-Al2O3 catalysts by an in situ technique induced superior catalytic performance for simultaneous elimination of NO and CO.

    PubMed

    Yao, Xiaojiang; Gao, Fei; Cao, Yuan; Tang, Changjin; Deng, Yu; Dong, Lin; Chen, Yi

    2013-09-28

    An in situ technique is employed to tailor the valence states of copper in CuOδ/γ-Al2O3 catalysts with the purpose of inducing superior catalytic performance for simultaneous elimination of NO and CO. The catalyst with zero-valent copper exhibits excellent catalytic performance, which is comparable with the conventional supported noble-metal catalysts. PMID:23925070

  11. First observation of high-spin states in {sup 214}Po: Probing the valence space beyond {sup 208}Pb

    SciTech Connect

    Astier, Alain; Porquet, Marie-Genevieve

    2011-01-15

    Excited states in {sup 214}Po have been populated using the {sup 18}O + {sup 208}Pb reaction at 85-MeV beam energy and studied with the Euroball IV {gamma}-multidetector array. The level scheme has been built up to {approx}2.7-MeV excitation energy and spin I=12({h_bar}/2{pi}) from the triple-{gamma} coincidence data. Spin and parity values of most of the observed states have been assigned from the {gamma}-angular properties. The configurations of the yrast states are discussed using results of empirical shell-model calculations and by analogy with the neighboring nuclei. The {sup 214}Po level scheme established in this work constitutes an important step for the determination of the effective nucleon-nucleon interactions beyond N=126.

  12. Verification of Long Period Surface Waves from Ambient Noise and Its Application in Constructing 3D Shear Wave Structure of Lithosphere in United States

    NASA Astrophysics Data System (ADS)

    Xie, J.; Yang, Y.; Ni, S.; Zhao, K.

    2015-12-01

    In the past decade, ambient noise tomography (ANT) has become an estimated method to construct the earth's interior structures thanks to its advantage in extracting surface waves from cross-correlations of ambient noise without using earthquake data. However, most of previous ambient noise tomography studies concentrate on short and intermediate periods (<50sec) due to the dominant energy of the microseism at these periods. Studies of long period surface waves from cross-correlation of ambient noise are limited. In this study, we verify the accuracy of the long period (50-250sec) surface wave (Rayleigh wave) from ambient noise by comparing both dispersion curves and seismic waveforms from ambient noise with those from earthquake records quantitatively. After that, we calculate vertical-vertical cross-correlation functions among more than1800 USArray Transportable Array stations and extract high quality interstation phase velocity dispersion curves from them at 10-200 sec periods. Then, we adopt a finite frequency ambient noise tomography method based on Born approximation to obtain high resolution phase velocity maps using the obtained dispersion measurements at 10-150 sec periods. Afterward, we extract local dispersion curves from these dispersion maps and invert them for 1D shear wave velocity profiles at individual grids using a Bayesian Monte Carlo method. Finally, a 3D shear velocity model is constructed by assembling all the 1D Vs profiles. Our 3D model is overall similar to other models constructed using earthquake surface waves and body waves. In summary, we demonstrate that the long period surface waves can be extracted from ambient noise, and the long period dispersion measurements from ambient noise are as accurate as those from earthquake data and can be used to construct 3D lithospheric structure from surface down to lithosphere/asthenosphere depths.

  13. 3D Spectroscopy in Astronomy

    NASA Astrophysics Data System (ADS)

    Mediavilla, Evencio; Arribas, Santiago; Roth, Martin; Cepa-Nogué, Jordi; Sánchez, Francisco

    2011-09-01

    Preface; Acknowledgements; 1. Introductory review and technical approaches Martin M. Roth; 2. Observational procedures and data reduction James E. H. Turner; 3. 3D Spectroscopy instrumentation M. A. Bershady; 4. Analysis of 3D data Pierre Ferruit; 5. Science motivation for IFS and galactic studies F. Eisenhauer; 6. Extragalactic studies and future IFS science Luis Colina; 7. Tutorials: how to handle 3D spectroscopy data Sebastian F. Sánchez, Begona García-Lorenzo and Arlette Pécontal-Rousset.

  14. 3D Elevation Program—Virtual USA in 3D

    USGS Publications Warehouse

    Lukas, Vicki; Stoker, J.M.

    2016-01-01

    The U.S. Geological Survey (USGS) 3D Elevation Program (3DEP) uses a laser system called ‘lidar’ (light detection and ranging) to create a virtual reality map of the Nation that is very accurate. 3D maps have many uses with new uses being discovered all the time.  

  15. Fe valence states and ferromagnetism occurring in reduced anatase Ti0.97Fe0.03O2-δ

    NASA Astrophysics Data System (ADS)

    Lee, Hi Min; Kim, Chul Sung

    2007-05-01

    Fe-doped anatase TiO2 polycrystalline films and powders have been prepared by the sol-gel method. Air-annealed film shows paramagnetic behavior at room temperature. However, when the film is further annealed in a vacuum, the ferromagnetic properties are strongly enhanced with the magnetic moment of 0.42μB/Fe at 5kOe. Mössbauer spectrum of air-annealed film at 295K shows a single doublet of Fe3+. On the other hand, the absorption spectrum after vacuum annealing exhibits two doublets, in which one is the same component with air-annealed case and the other is a new doublet corresponding to Fe2+ state. The temperature dependence of absorption linewidth and quadrupole splitting for the Fe2+ doublet indicates that Fe2+ ions are not paramagnetic and their magnetic interaction exists also at 295K.

  16. BEAMS3D Neutral Beam Injection Model

    NASA Astrophysics Data System (ADS)

    McMillan, Matthew; Lazerson, Samuel A.

    2014-09-01

    With the advent of applied 3D fields in Tokamaks and modern high performance stellarators, a need has arisen to address non-axisymmetric effects on neutral beam heating and fueling. We report on the development of a fully 3D neutral beam injection (NBI) model, BEAMS3D, which addresses this need by coupling 3D equilibria to a guiding center code capable of modeling neutral and charged particle trajectories across the separatrix and into the plasma core. Ionization, neutralization, charge-exchange, viscous slowing down, and pitch angle scattering are modeled with the ADAS atomic physics database. Elementary benchmark calculations are presented to verify the collisionless particle orbits, NBI model, frictional drag, and pitch angle scattering effects. A calculation of neutral beam heating in the NCSX device is performed, highlighting the capability of the code to handle 3D magnetic fields. Notice: this manuscript has been authored by Princeton University under Contract Number DE-AC02-09CH11466 with the US Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes.

  17. Valence and Ionic Lowest-Lying Electronic States of Isobutyl Formate Studied by High-Resolution Vacuum Ultraviolet Photoabsorption, Photoelectron Spectroscopy, and Ab Initio Calculations.

    PubMed

    Śmiałek, M A; Łabuda, M; Guthmuller, J; Hoffmann, S V; Jones, N C; MacDonald, M A; Zuin, L; Mason, N J; Limão-Vieira, P

    2015-08-13

    The highest resolution vacuum ultraviolet photoabsorption spectrum of isobutyl formate, C5H10O2, yet reported is presented over the energy range 4.5-10.7 eV (275.5-118.0 nm) revealing several new spectral features. Valence and Rydberg transitions and their associated vibronic series observed in the photoabsorption spectrum have been assigned in accordance with new ab initio calculations of the vertical excitation energies and oscillator strengths. Calculations have also been carried out to determine the ionization energies and fine structure of the lowest ionic state of isobutyl formate and are compared with a newly recorded photoelectron spectrum (from 9.0 to 27.0 eV). The value of the first ionization energy was determined to be 10.508 eV (adiabatic) and 10.837 eV (vertical). New vibrational structure is observed in the first photoelectron band, predominantly resulting from C-O and C═O stretches of the molecule. The photoabsorption cross sections have been used to calculate the photolysis lifetime of isobutyl formate in the upper stratosphere (20-50 km), indicating that the hydroxyl radical processes will be the main loss process for isobutyl formate. PMID:26176891

  18. Tunable SrAl2Si2O8: Eu phosphor prepared in air via valence state-controlled means

    NASA Astrophysics Data System (ADS)

    Chen, Jian; Liu, Yangai; Liu, Haikun; Ding, Hao; Fang, Minghao; Huang, Zhaohui

    2015-04-01

    SrAl2Si2O8: xEu (x = 0.5-8%) phosphors were prepared by the high-temperature solid-state reaction in air atmosphere. The phenomenon of Eu2+/Eu3+ coexistence was observed and the color of the SrAl2Si2O8: xEu phosphor could shift from light pink to blue by controllable and reproducible means. Photoluminescence (PL), excitation (PLE) spectra, X-ray photoelectron spectroscopy (XPS), and the fluorescence decay curves were employed to detect the presence of Eu2+ and Eu3+ ions in the compound. Under ultraviolet excitation, the broad band emission peaked at 410 nm originated from the transition of 4f65d-4f7 from Eu2+ and narrow band emissions peaked at 591 nm, 614 nm, 655 nm, and 703 nm are derived from the 4f-4f transition of Eu3+ ions, although the Eu3+ precursors were employed. The reduction mechanism from Eu3+ to Eu2+ in this compound was discussed in detail and verified by photoluminescence properties through changing the addition amount of Eu, temperature rise and holding time.

  19. Atomic-resolution scanning transmission electron microscopy study of the valence state transition in (Pr0.85Y0.15)0.7Ca0.3CoO3

    NASA Astrophysics Data System (ADS)

    Klie, Robert; Gulec, Ahmet; Phelan, Daniel; Leighton, Chris

    2015-03-01

    The observation of a first-order magnetic/electronic transition in certain Pr-based perovskite cobaltites, such as Pr0.5Ca0.5CoO3, has attracted significant attention. A simultaneous metal to insulator transition, a sharp drop in the magnetic moment and a change in the electronic structure has been reported to occur below TMIT. It was suggested that the low-temperature phase is stabilized by a shift of the mixed valence Co3+/Co4+ toward pure Co3+, enabled by a valence change of Pr3+ to Pr4+. We present an atomic-scale study of (Pr1-yYy)0.7Ca0.3CoO3 using atomic-resolution imaging, electron energy-loss spectroscopy and in-situ cooling experiments in a scanning transmission electron microscope. The valence state transition in (Pr1-yYy)0.7Ca0.3CoO3 occurs at a transition temperature TMIT ~ 135K for y = 0.15 and the in-situ cooling experiments are conducted at 90 K. At room temperature, we find oxygen vacancy ordering associated with a Co valence state ordering and we will demonstrate that the electron transfer occurs from Pr to Co below the transition temperature. The oxygen vacancy ordering disappears as a result of the Co valence state transition. The effects of oxygen mobility, sample homogeneity and the impact on the observed transition will be discussed. This work is supported by a grant from the National Science Foundation (NSF-DMR1408427).

  20. Modular 3-D Transport model

    EPA Science Inventory

    MT3D was first developed by Chunmiao Zheng in 1990 at S.S. Papadopulos & Associates, Inc. with partial support from the U.S. Environmental Protection Agency (USEPA). Starting in 1990, MT3D was released as a pubic domain code from the USEPA. Commercial versions with enhanced capab...

  1. Market study: 3-D eyetracker

    NASA Technical Reports Server (NTRS)

    1977-01-01

    A market study of a proposed version of a 3-D eyetracker for initial use at NASA's Ames Research Center was made. The commercialization potential of a simplified, less expensive 3-D eyetracker was ascertained. Primary focus on present and potential users of eyetrackers, as well as present and potential manufacturers has provided an effective means of analyzing the prospects for commercialization.

  2. LLNL-Earth3D

    2013-10-01

    Earth3D is a computer code designed to allow fast calculation of seismic rays and travel times through a 3D model of the Earth. LLNL is using this for earthquake location and global tomography efforts and such codes are of great interest to the Earth Science community.

  3. [3-D ultrasound in gastroenterology].

    PubMed

    Zoller, W G; Liess, H

    1994-06-01

    Three-dimensional (3D) sonography represents a development of noninvasive diagnostic imaging by real-time two-dimensional (2D) sonography. The use of transparent rotating scans, comparable to a block of glass, generates a 3D effect. The objective of the present study was to optimate 3D presentation of abdominal findings. Additional investigations were made with a new volumetric program to determine the volume of selected findings of the liver. The results were compared with the estimated volumes of 2D sonography and 2D computer tomography (CT). For the processing of 3D images, typical parameter constellations were found for the different findings, which facilitated processing of 3D images. In more than 75% of the cases examined we found an optimal 3D presentation of sonographic findings with respect to the evaluation criteria developed by us for the 3D imaging of processed data. Great differences were found for the estimated volumes of the findings of the liver concerning the three different techniques applied. 3D ultrasound represents a valuable method to judge morphological appearance in abdominal findings. The possibility of volumetric measurements enlarges its potential diagnostic significance. Further clinical investigations are necessary to find out if definite differentiation between benign and malign findings is possible. PMID:7919882

  4. 3D World Building System

    SciTech Connect

    2013-10-30

    This video provides an overview of the Sandia National Laboratories developed 3-D World Model Building capability that provides users with an immersive, texture rich 3-D model of their environment in minutes using a laptop and color and depth camera.

  5. 3D World Building System

    ScienceCinema

    None

    2014-02-26

    This video provides an overview of the Sandia National Laboratories developed 3-D World Model Building capability that provides users with an immersive, texture rich 3-D model of their environment in minutes using a laptop and color and depth camera.

  6. Euro3D Science Conference

    NASA Astrophysics Data System (ADS)

    Walsh, J. R.

    2004-02-01

    The Euro3D RTN is an EU funded Research Training Network to foster the exploitation of 3D spectroscopy in Europe. 3D spectroscopy is a general term for spectroscopy of an area of the sky and derives its name from its two spatial + one spectral dimensions. There are an increasing number of instruments which use integral field devices to achieve spectroscopy of an area of the sky, either using lens arrays, optical fibres or image slicers, to pack spectra of multiple pixels on the sky (``spaxels'') onto a 2D detector. On account of the large volume of data and the special methods required to reduce and analyse 3D data, there are only a few centres of expertise and these are mostly involved with instrument developments. There is a perceived lack of expertise in 3D spectroscopy spread though the astronomical community and its use in the armoury of the observational astronomer is viewed as being highly specialised. For precisely this reason the Euro3D RTN was proposed to train young researchers in this area and develop user tools to widen the experience with this particular type of data in Europe. The Euro3D RTN is coordinated by Martin M. Roth (Astrophysikalisches Institut Potsdam) and has been running since July 2002. The first Euro3D science conference was held in Cambridge, UK from 22 to 23 May 2003. The main emphasis of the conference was, in keeping with the RTN, to expose the work of the young post-docs who are funded by the RTN. In addition the team members from the eleven European institutes involved in Euro3D also presented instrumental and observational developments. The conference was organized by Andy Bunker and held at the Institute of Astronomy. There were over thirty participants and 26 talks covered the whole range of application of 3D techniques. The science ranged from Galactic planetary nebulae and globular clusters to kinematics of nearby galaxies out to objects at high redshift. Several talks were devoted to reporting recent observations with newly

  7. PLOT3D user's manual

    NASA Technical Reports Server (NTRS)

    Walatka, Pamela P.; Buning, Pieter G.; Pierce, Larry; Elson, Patricia A.

    1990-01-01

    PLOT3D is a computer graphics program designed to visualize the grids and solutions of computational fluid dynamics. Seventy-four functions are available. Versions are available for many systems. PLOT3D can handle multiple grids with a million or more grid points, and can produce varieties of model renderings, such as wireframe or flat shaded. Output from PLOT3D can be used in animation programs. The first part of this manual is a tutorial that takes the reader, keystroke by keystroke, through a PLOT3D session. The second part of the manual contains reference chapters, including the helpfile, data file formats, advice on changing PLOT3D, and sample command files.

  8. 3D printing in dentistry.

    PubMed

    Dawood, A; Marti Marti, B; Sauret-Jackson, V; Darwood, A

    2015-12-01

    3D printing has been hailed as a disruptive technology which will change manufacturing. Used in aerospace, defence, art and design, 3D printing is becoming a subject of great interest in surgery. The technology has a particular resonance with dentistry, and with advances in 3D imaging and modelling technologies such as cone beam computed tomography and intraoral scanning, and with the relatively long history of the use of CAD CAM technologies in dentistry, it will become of increasing importance. Uses of 3D printing include the production of drill guides for dental implants, the production of physical models for prosthodontics, orthodontics and surgery, the manufacture of dental, craniomaxillofacial and orthopaedic implants, and the fabrication of copings and frameworks for implant and dental restorations. This paper reviews the types of 3D printing technologies available and their various applications in dentistry and in maxillofacial surgery. PMID:26657435

  9. PLOT3D/AMES, APOLLO UNIX VERSION USING GMR3D (WITH TURB3D)

    NASA Technical Reports Server (NTRS)

    Buning, P.

    1994-01-01

    PLOT3D is an interactive graphics program designed to help scientists visualize computational fluid dynamics (CFD) grids and solutions. Today, supercomputers and CFD algorithms can provide scientists with simulations of such highly complex phenomena that obtaining an understanding of the simulations has become a major problem. Tools which help the scientist visualize the simulations can be of tremendous aid. PLOT3D/AMES offers more functions and features, and has been adapted for more types of computers than any other CFD graphics program. Version 3.6b+ is supported for five computers and graphic libraries. Using PLOT3D, CFD physicists can view their computational models from any angle, observing the physics of problems and the quality of solutions. As an aid in designing aircraft, for example, PLOT3D's interactive computer graphics can show vortices, temperature, reverse flow, pressure, and dozens of other characteristics of air flow during flight. As critical areas become obvious, they can easily be studied more closely using a finer grid. PLOT3D is part of a computational fluid dynamics software cycle. First, a program such as 3DGRAPE (ARC-12620) helps the scientist generate computational grids to model an object and its surrounding space. Once the grids have been designed and parameters such as the angle of attack, Mach number, and Reynolds number have been specified, a "flow-solver" program such as INS3D (ARC-11794 or COS-10019) solves the system of equations governing fluid flow, usually on a supercomputer. Grids sometimes have as many as two million points, and the "flow-solver" produces a solution file which contains density, x- y- and z-momentum, and stagnation energy for each grid point. With such a solution file and a grid file containing up to 50 grids as input, PLOT3D can calculate and graphically display any one of 74 functions, including shock waves, surface pressure, velocity vectors, and particle traces. PLOT3D's 74 functions are organized into

  10. PLOT3D/AMES, APOLLO UNIX VERSION USING GMR3D (WITHOUT TURB3D)

    NASA Technical Reports Server (NTRS)

    Buning, P.

    1994-01-01

    PLOT3D is an interactive graphics program designed to help scientists visualize computational fluid dynamics (CFD) grids and solutions. Today, supercomputers and CFD algorithms can provide scientists with simulations of such highly complex phenomena that obtaining an understanding of the simulations has become a major problem. Tools which help the scientist visualize the simulations can be of tremendous aid. PLOT3D/AMES offers more functions and features, and has been adapted for more types of computers than any other CFD graphics program. Version 3.6b+ is supported for five computers and graphic libraries. Using PLOT3D, CFD physicists can view their computational models from any angle, observing the physics of problems and the quality of solutions. As an aid in designing aircraft, for example, PLOT3D's interactive computer graphics can show vortices, temperature, reverse flow, pressure, and dozens of other characteristics of air flow during flight. As critical areas become obvious, they can easily be studied more closely using a finer grid. PLOT3D is part of a computational fluid dynamics software cycle. First, a program such as 3DGRAPE (ARC-12620) helps the scientist generate computational grids to model an object and its surrounding space. Once the grids have been designed and parameters such as the angle of attack, Mach number, and Reynolds number have been specified, a "flow-solver" program such as INS3D (ARC-11794 or COS-10019) solves the system of equations governing fluid flow, usually on a supercomputer. Grids sometimes have as many as two million points, and the "flow-solver" produces a solution file which contains density, x- y- and z-momentum, and stagnation energy for each grid point. With such a solution file and a grid file containing up to 50 grids as input, PLOT3D can calculate and graphically display any one of 74 functions, including shock waves, surface pressure, velocity vectors, and particle traces. PLOT3D's 74 functions are organized into

  11. The importance of 3D dosimetry

    NASA Astrophysics Data System (ADS)

    Low, Daniel

    2015-01-01

    Radiation therapy has been getting progressively more complex for the past 20 years. Early radiation therapy techniques needed only basic dosimetry equipment; motorized water phantoms, ionization chambers, and basic radiographic film techniques. As intensity modulated radiation therapy and image guided therapy came into widespread practice, medical physicists were challenged with developing effective and efficient dose measurement techniques. The complex 3-dimensional (3D) nature of the dose distributions that were being delivered demanded the development of more quantitative and more thorough methods for dose measurement. The quality assurance vendors developed a wide array of multidetector arrays that have been enormously useful for measuring and characterizing dose distributions, and these have been made especially useful with the advent of 3D dose calculation systems based on the array measurements, as well as measurements made using film and portal imagers. Other vendors have been providing 3D calculations based on data from the linear accelerator or the record and verify system, providing thorough evaluation of the dose but lacking quality assurance (QA) of the dose delivery process, including machine calibration. The current state of 3D dosimetry is one of a state of flux. The vendors and professional associations are trying to determine the optimal balance between thorough QA, labor efficiency, and quantitation. This balance will take some time to reach, but a necessary component will be the 3D measurement and independent calculation of delivered radiation therapy dose distributions.

  12. Impact of cation-based localized electronic states on the conduction and valence band structure of Al{sub 1−x}In{sub x}N alloys

    SciTech Connect

    Schulz, S.; Caro, M. A.; O'Reilly, E. P.

    2014-04-28

    We demonstrate that cation-related localized states strongly perturb the band structure of Al{sub 1−x}In{sub x}N leading to a strong band gap bowing at low In content. Our first-principles calculations show that In-related localized states are formed both in the conduction and the valence band in Al{sub 1−x}In{sub x}N for low In composition, x, and that these localized states dominate the evolution of the band structure with increasing x. Therefore, the commonly used assumption of a single composition-independent bowing parameter breaks down when describing the evolution both of the conduction and of the valence band edge in Al{sub 1−x}In{sub x}N.

  13. Generalized valence bond description of the ground states (X(1)Σg(+)) of homonuclear pnictogen diatomic molecules: N2, P2, and As2.

    PubMed

    Xu, Lu T; Dunning, Thom H

    2015-06-01

    The ground state, X1Σg+, of N2 is a textbook example of a molecule with a triple bond consisting of one σ and two π bonds. This assignment, which is usually rationalized using molecular orbital (MO) theory, implicitly assumes that the spins of the three pairs of electrons involved in the bonds are singlet-coupled (perfect pairing). However, for a six-electron singlet state, there are five distinct ways to couple the electron spins. The generalized valence bond (GVB) wave function lifts this restriction, including all of the five spin functions for the six electrons involved in the bond. For N2, we find that the perfect pairing spin function is indeed dominant at Re but that it becomes progressively less so from N2 to P2 and As2. Although the perfect pairing spin function is still the most important spin function in P2, the importance of a quasi-atomic spin function, which singlet couples the spins of the electrons in the σ orbitals while high spin coupling those of the electrons in the π orbitals on each center, has significantly increased relative to N2 and, in As2, the perfect pairing and quasi-atomic spin couplings are on essentially the same footing. This change in the spin coupling of the electrons in the bonding orbitals down the periodic table may contribute to the rather dramatic decrease in the strengths of the Pn2 bonds from N2 to As2 as well as in the increase in their chemical reactivity and should be taken into account in more detailed analyses of the bond energies in these species. We also compare the spin coupling in N2 with that in C2, where the quasi-atomic spin coupling dominants around Re. PMID:26575549

  14. 3d-4f magnetic interaction with density functional theory plus u approach: local Coulomb correlation and exchange pathways.

    PubMed

    Zhang, Yachao; Yang, Yang; Jiang, Hong

    2013-12-12

    The 3d-4f exchange interaction plays an important role in many lanthanide based molecular magnetic materials such as single-molecule magnets and magnetic refrigerants. In this work, we study the 3d-4f magnetic exchange interactions in a series of Cu(II)-Gd(III) (3d(9)-4f(7)) dinuclear complexes based on the numerical atomic basis-norm-conserving pseudopotential method and density functional theory plus the Hubbard U correction approach (DFT+U). We obtain improved description of the 4f electrons by including the semicore 5s5p states in the valence part of the Gd-pseudopotential. The Hubbard U correction is employed to treat the strongly correlated Cu-3d and Gd-4f electrons, which significantly improve the agreement of the predicted exchange constants, J, with experiment, indicating the importance of accurate description of the local Coulomb correlation. The high efficiency of the DFT+U approach enables us to perform calculations with molecular crystals, which in general improve the agreement between theory and experiment, achieving a mean absolute error smaller than 2 cm(-1). In addition, through analyzing the physical effects of U, we identify two magnetic exchange pathways. One is ferromagnetic and involves an interaction between the Cu-3d, O-2p (bridge ligand), and the majority-spin Gd-5d orbitals. The other one is antiferromagnetic and involves Cu-3d, O-2p, and the empty minority-spin Gd-4f orbitals, which is suppressed by the planar Cu-O-O-Gd structure. This study demonstrates the accuracy of the DFT+U method for evaluating the 3d-4f exchange interactions, provides a better understanding of the exchange mechanism in the Cu(II)-Gd(III) complexes, and paves the way for exploiting the magnetic properties of the 3d-4f compounds containing lanthanides other than Gd. PMID:24274078

  15. Affective SSVEP BCI to effectively control 3D objects by using a prism array-based display

    NASA Astrophysics Data System (ADS)

    Mun, Sungchul; Park, Min-Chul

    2014-06-01

    3D objects with depth information can provide many benefits to users in education, surgery, and interactions. In particular, many studies have been done to enhance sense of reality in 3D interaction. Viewing and controlling stereoscopic 3D objects with crossed or uncrossed disparities, however, can cause visual fatigue due to the vergenceaccommodation conflict generally accepted in 3D research fields. In order to avoid the vergence-accommodation mismatch and provide a strong sense of presence to users, we apply a prism array-based display to presenting 3D objects. Emotional pictures were used as visual stimuli in control panels to increase information transfer rate and reduce false positives in controlling 3D objects. Involuntarily motivated selective attention by affective mechanism can enhance steady-state visually evoked potential (SSVEP) amplitude and lead to increased interaction efficiency. More attentional resources are allocated to affective pictures with high valence and arousal levels than to normal visual stimuli such as white-and-black oscillating squares and checkerboards. Among representative BCI control components (i.e., eventrelated potentials (ERP), event-related (de)synchronization (ERD/ERS), and SSVEP), SSVEP-based BCI was chosen in the following reasons. It shows high information transfer rates and takes a few minutes for users to control BCI system while few electrodes are required for obtaining reliable brainwave signals enough to capture users' intention. The proposed BCI methods are expected to enhance sense of reality in 3D space without causing critical visual fatigue to occur. In addition, people who are very susceptible to (auto) stereoscopic 3D may be able to use the affective BCI.

  16. Bioprinting of 3D hydrogels.

    PubMed

    Stanton, M M; Samitier, J; Sánchez, S

    2015-08-01

    Three-dimensional (3D) bioprinting has recently emerged as an extension of 3D material printing, by using biocompatible or cellular components to build structures in an additive, layer-by-layer methodology for encapsulation and culture of cells. These 3D systems allow for cell culture in a suspension for formation of highly organized tissue or controlled spatial orientation of cell environments. The in vitro 3D cellular environments simulate the complexity of an in vivo environment and natural extracellular matrices (ECM). This paper will focus on bioprinting utilizing hydrogels as 3D scaffolds. Hydrogels are advantageous for cell culture as they are highly permeable to cell culture media, nutrients, and waste products generated during metabolic cell processes. They have the ability to be fabricated in customized shapes with various material properties with dimensions at the micron scale. 3D hydrogels are a reliable method for biocompatible 3D printing and have applications in tissue engineering, drug screening, and organ on a chip models. PMID:26066320

  17. Unassisted 3D camera calibration

    NASA Astrophysics Data System (ADS)

    Atanassov, Kalin; Ramachandra, Vikas; Nash, James; Goma, Sergio R.

    2012-03-01

    With the rapid growth of 3D technology, 3D image capture has become a critical part of the 3D feature set on mobile phones. 3D image quality is affected by the scene geometry as well as on-the-device processing. An automatic 3D system usually assumes known camera poses accomplished by factory calibration using a special chart. In real life settings, pose parameters estimated by factory calibration can be negatively impacted by movements of the lens barrel due to shaking, focusing, or camera drop. If any of these factors displaces the optical axes of either or both cameras, vertical disparity might exceed the maximum tolerable margin and the 3D user may experience eye strain or headaches. To make 3D capture more practical, one needs to consider unassisted (on arbitrary scenes) calibration. In this paper, we propose an algorithm that relies on detection and matching of keypoints between left and right images. Frames containing erroneous matches, along with frames with insufficiently rich keypoint constellations, are detected and discarded. Roll, pitch yaw , and scale differences between left and right frames are then estimated. The algorithm performance is evaluated in terms of the remaining vertical disparity as compared to the maximum tolerable vertical disparity.

  18. Arena3D: visualization of biological networks in 3D

    PubMed Central

    Pavlopoulos, Georgios A; O'Donoghue, Seán I; Satagopam, Venkata P; Soldatos, Theodoros G; Pafilis, Evangelos; Schneider, Reinhard

    2008-01-01

    Background Complexity is a key problem when visualizing biological networks; as the number of entities increases, most graphical views become incomprehensible. Our goal is to enable many thousands of entities to be visualized meaningfully and with high performance. Results We present a new visualization tool, Arena3D, which introduces a new concept of staggered layers in 3D space. Related data – such as proteins, chemicals, or pathways – can be grouped onto separate layers and arranged via layout algorithms, such as Fruchterman-Reingold, distance geometry, and a novel hierarchical layout. Data on a layer can be clustered via k-means, affinity propagation, Markov clustering, neighbor joining, tree clustering, or UPGMA ('unweighted pair-group method with arithmetic mean'). A simple input format defines the name and URL for each node, and defines connections or similarity scores between pairs of nodes. The use of Arena3D is illustrated with datasets related to Huntington's disease. Conclusion Arena3D is a user friendly visualization tool that is able to visualize biological or any other network in 3D space. It is free for academic use and runs on any platform. It can be downloaded or lunched directly from . Java3D library and Java 1.5 need to be pre-installed for the software to run. PMID:19040715

  19. 3D Kitaev spin liquids

    NASA Astrophysics Data System (ADS)

    Hermanns, Maria

    The Kitaev honeycomb model has become one of the archetypal spin models exhibiting topological phases of matter, where the magnetic moments fractionalize into Majorana fermions interacting with a Z2 gauge field. In this talk, we discuss generalizations of this model to three-dimensional lattice structures. Our main focus is the metallic state that the emergent Majorana fermions form. In particular, we discuss the relation of the nature of this Majorana metal to the details of the underlying lattice structure. Besides (almost) conventional metals with a Majorana Fermi surface, one also finds various realizations of Dirac semi-metals, where the gapless modes form Fermi lines or even Weyl nodes. We introduce a general classification of these gapless quantum spin liquids using projective symmetry analysis. Furthermore, we briefly outline why these Majorana metals in 3D Kitaev systems provide an even richer variety of Dirac and Weyl phases than possible for electronic matter and comment on possible experimental signatures. Work done in collaboration with Kevin O'Brien and Simon Trebst.

  20. Fdf in US3D

    NASA Astrophysics Data System (ADS)

    Otis, Collin; Ferrero, Pietro; Candler, Graham; Givi, Peyman

    2013-11-01

    The scalar filtered mass density function (SFMDF) methodology is implemented into the computer code US3D. This is an unstructured Eulerian finite volume hydrodynamic solver and has proven very effective for simulation of compressible turbulent flows. The resulting SFMDF-US3D code is employed for large eddy simulation (LES) on unstructured meshes. Simulations are conducted of subsonic and supersonic flows under non-reacting and reacting conditions. The consistency and the accuracy of the simulated results are assessed along with appraisal of the overall performance of the methodology. The SFMDF-US3D is now capable of simulating high speed flows in complex configurations.

  1. Multi-view and 3D deformable part models.

    PubMed

    Pepik, Bojan; Stark, Michael; Gehler, Peter; Schiele, Bernt

    2015-11-01

    As objects are inherently 3D, they have been modeled in 3D in the early days of computer vision. Due to the ambiguities arising from mapping 2D features to 3D models, 3D object representations have been neglected and 2D feature-based models are the predominant paradigm in object detection nowadays. While such models have achieved outstanding bounding box detection performance, they come with limited expressiveness, as they are clearly limited in their capability of reasoning about 3D shape or viewpoints. In this work, we bring the worlds of 3D and 2D object representations closer, by building an object detector which leverages the expressive power of 3D object representations while at the same time can be robustly matched to image evidence. To that end, we gradually extend the successful deformable part model [1] to include viewpoint information and part-level 3D geometry information, resulting in several different models with different level of expressiveness. We end up with a 3D object model, consisting of multiple object parts represented in 3D and a continuous appearance model. We experimentally verify that our models, while providing richer object hypotheses than the 2D object models, provide consistently better joint object localization and viewpoint estimation than the state-of-the-art multi-view and 3D object detectors on various benchmarks (KITTI [2] , 3D object classes [3] , Pascal3D+ [4] , Pascal VOC 2007 [5] , EPFL multi-view cars[6] ). PMID:26440264

  2. Valence state of Mn in Ca-doped LaMnO{sub 3} studied by high-resolution MnK{sub {beta}} emission spectroscopy5

    SciTech Connect

    Tyson, T.A.; Qian, Q.; Kao, C.; Rueff, J.; de Groot, F.M.; Croft, M.; Cheong, S. |; Greenblatt, M.; Subramanian, M.A.

    1999-08-01

    MnK{sub {beta}} x-ray emission spectra provide a direct method to probe the effective spin state and charge density on the Mn atom and is used in an experimental study of a class of Mn oxides. Specifically, the MnK{sub {beta}} line positions and detailed spectral shapes depend on the oxidation and the spin state of the Mn sites as well as the degree of {ital d} covalency/itinerancy. Theoretical calculations including atomic charge and multiplet effects, as well as crystal-field splittings and covalency effects, are used as a guide to the experimental results. Direct comparison of the ionic system MnF{sub 2} and the covalent system MnO reveals significant changes due to the degree of covalency of Mn within atomic-type MnK{sub {beta}} simulations. Moreover, comparisons of measurement with calculations support the assumed high spin state of Mn in all of the systems studied. The detailed shape and energy shift of the spectra for the perovskite compounds, LaMnO{sub 3} and CaMnO{sub 3}, are, respectively, found to be very similar to the covalent Mn{sup 3+}-Mn{sub 2}O{sub 3} and Mn{sup 4+}-MnO{sub 2} compounds thereby supporting the identical Mn-state assignments. Comparison to the theoretical modeling emphasizes the strong covalency in these materials. Detailed MnK{sub {beta}} x-ray emission results on the La{sub 1{minus} x} Ca{sub x} MnO{sub 3} system can be well fit by linear superpositions of the end member spectra, consistent with a mixed-valent character for the intermediate compositions. However, an arrested Mn-valence response to the doping in the x{lt} 0.3 range is found. No evidence for Mn{sup 2+} is observed at any {ital x} values seemingly ruling out proposals regarding Mn{sup 3+} disproportionation. {copyright} {ital 1999} {ital The American Physical Society}

  3. Wavefront construction in 3-D

    SciTech Connect

    Chilcoat, S.R. Hildebrand, S.T.

    1995-12-31

    Travel time computation in inhomogeneous media is essential for pre-stack Kirchhoff imaging in areas such as the sub-salt province in the Gulf of Mexico. The 2D algorithm published by Vinje, et al, has been extended to 3D to compute wavefronts in complicated inhomogeneous media. The 3D wavefront construction algorithm provides many advantages over conventional ray tracing and other methods of computing travel times in 3D. The algorithm dynamically maintains a reasonably consistent ray density without making a priori guesses at the number of rays to shoot. The determination of caustics in 3D is a straight forward geometric procedure. The wavefront algorithm also enables the computation of multi-valued travel time surfaces.

  4. Heterodyne 3D ghost imaging

    NASA Astrophysics Data System (ADS)

    Yang, Xu; Zhang, Yong; Yang, Chenghua; Xu, Lu; Wang, Qiang; Zhao, Yuan

    2016-06-01

    Conventional three dimensional (3D) ghost imaging measures range of target based on pulse fight time measurement method. Due to the limit of data acquisition system sampling rate, range resolution of the conventional 3D ghost imaging is usually low. In order to take off the effect of sampling rate to range resolution of 3D ghost imaging, a heterodyne 3D ghost imaging (HGI) system is presented in this study. The source of HGI is a continuous wave laser instead of pulse laser. Temporal correlation and spatial correlation of light are both utilized to obtain the range image of target. Through theory analysis and numerical simulations, it is demonstrated that HGI can obtain high range resolution image with low sampling rate.

  5. 3-D Finite Element Heat Transfer

    1992-02-01

    TOPAZ3D is a three-dimensional implicit finite element computer code for heat transfer analysis. TOPAZ3D can be used to solve for the steady-state or transient temperature field on three-dimensional geometries. Material properties may be temperature-dependent and either isotropic or orthotropic. A variety of time-dependent and temperature-dependent boundary conditions can be specified including temperature, flux, convection, and radiation. By implementing the user subroutine feature, users can model chemical reaction kinetics and allow for any type of functionalmore » representation of boundary conditions and internal heat generation. TOPAZ3D can solve problems of diffuse and specular band radiation in an enclosure coupled with conduction in the material surrounding the enclosure. Additional features include thermal contact resistance across an interface, bulk fluids, phase change, and energy balances.« less

  6. Combinatorial 3D Mechanical Metamaterials

    NASA Astrophysics Data System (ADS)

    Coulais, Corentin; Teomy, Eial; de Reus, Koen; Shokef, Yair; van Hecke, Martin

    2015-03-01

    We present a class of elastic structures which exhibit 3D-folding motion. Our structures consist of cubic lattices of anisotropic unit cells that can be tiled in a complex combinatorial fashion. We design and 3d-print this complex ordered mechanism, in which we combine elastic hinges and defects to tailor the mechanics of the material. Finally, we use this large design space to encode smart functionalities such as surface patterning and multistability.

  7. Shim3d Helmholtz Solution Package

    2009-01-29

    This suite of codes solves the Helmholtz Equation for the steady-state propagation of single-frequency electromagnetic radiation in an arbitrary 2D or 3D dielectric medium. Materials can be either transparent or absorptive (including metals) and are described entirely by their shape and complex dielectric constant. Dielectric boundaries are assumed to always fall on grid boundaries and the material within a single grid cell is considered to be uniform. Input to the problem is in the formmore » of a Dirichlet boundary condition on a single boundary, and may be either analytic (Gaussian) in shape, or a mode shape computed using a separate code (such as the included eigenmode solver vwave20), and written to a file. Solution is via the finite difference method using Jacobi iteration for 3D problems or direct matrix inversion for 2D problems. Note that 3D problems that include metals will require different iteration parameters than described in the above reference. For structures with curved boundaries not easily modeled on a rectangular grid, the auxillary codes helmholtz11(2D), helm3d (semivectoral), and helmv3d (full vectoral) are provided. For these codes the finite difference equations are specified on a topological regular triangular grid and solved using Jacobi iteration or direct matrix inversion as before. An automatic grid generator is supplied.« less

  8. STAR3D: a stack-based RNA 3D structural alignment tool

    PubMed Central

    Ge, Ping; Zhang, Shaojie

    2015-01-01

    The various roles of versatile non-coding RNAs typically require the attainment of complex high-order structures. Therefore, comparing the 3D structures of RNA molecules can yield in-depth understanding of their functional conservation and evolutionary history. Recently, many powerful tools have been developed to align RNA 3D structures. Although some methods rely on both backbone conformations and base pairing interactions, none of them consider the entire hierarchical formation of the RNA secondary structure. One of the major issues is that directly applying the algorithms of matching 2D structures to the 3D coordinates is particularly time-consuming. In this article, we propose a novel RNA 3D structural alignment tool, STAR3D, to take into full account the 2D relations between stacks without the complicated comparison of secondary structures. First, the 3D conserved stacks in the inputs are identified and then combined into a tree-like consensus. Afterward, the loop regions are compared one-to-one in accordance with their relative positions in the consensus tree. The experimental results show that the prediction of STAR3D is more accurate for both non-homologous and homologous RNAs than other state-of-the-art tools with shorter running time. PMID:26184875

  9. STAR3D: a stack-based RNA 3D structural alignment tool.

    PubMed

    Ge, Ping; Zhang, Shaojie

    2015-11-16

    The various roles of versatile non-coding RNAs typically require the attainment of complex high-order structures. Therefore, comparing the 3D structures of RNA molecules can yield in-depth understanding of their functional conservation and evolutionary history. Recently, many powerful tools have been developed to align RNA 3D structures. Although some methods rely on both backbone conformations and base pairing interactions, none of them consider the entire hierarchical formation of the RNA secondary structure. One of the major issues is that directly applying the algorithms of matching 2D structures to the 3D coordinates is particularly time-consuming. In this article, we propose a novel RNA 3D structural alignment tool, STAR3D, to take into full account the 2D relations between stacks without the complicated comparison of secondary structures. First, the 3D conserved stacks in the inputs are identified and then combined into a tree-like consensus. Afterward, the loop regions are compared one-to-one in accordance with their relative positions in the consensus tree. The experimental results show that the prediction of STAR3D is more accurate for both non-homologous and homologous RNAs than other state-of-the-art tools with shorter running time. PMID:26184875

  10. From "sapienza" to "sapienza, State Archives in Rome". a Looping Effect Bringing Back to the Original Source Comunication and Culture by Innovative and Low Cost 3d Surveying, Imaging Systems and GIS Applications

    NASA Astrophysics Data System (ADS)

    Paolini, P.; Forti, G.; Catalani, G.; Lucchetti, S.; Menghini, A.; Mirandola, A.; Pistacchio, S.; Porzia, U.; Roberti, M.

    2016-04-01

    High Quality survey models, realized by multiple Low Cost methods and technologies, as a container to sharing Cultural and Archival Heritage, this is the aim guiding our research, here described in its primary applications. The SAPIENZA building, a XVI century masterpiece that represented the first unified headquarters of University in Rome, plays since year 1936, when the University moved to its newly edified campus, the role of the main venue for the State Archives. By the collaboration of a group of students of the Architecture Faculty, some integrated survey methods were applied on the monument with success. The beginning was the topographic survey, creating a reference on ground and along the monument for the upcoming applications, a GNNS RTK survey followed georeferencing points on the internal courtyard. Dense stereo matching photogrammetry is nowadays an accepted method for generating 3D survey models, accurate and scalable; it often substitutes 3D laser scanning for its low cost, so that it became our choice. Some 360° shots were planned for creating panoramic views of the double portico from the courtyard, plus additional single shots of some lateral spans and of pillars facing the court, as a single operation with a double finality: to create linked panotours with hotspots to web-linked databases, and 3D textured and georeferenced surface models, allowing to study the harmonic proportions of the classical architectural order. The use of free web Gis platforms, to load the work in Google Earth and the realization of low cost 3D prototypes of some representative parts, has been even performed.

  11. INCORPORATING DYNAMIC 3D SIMULATION INTO PRA

    SciTech Connect

    Steven R Prescott; Curtis Smith

    2011-07-01

    Through continued advancement in computational resources, development that was previously done by trial and error production is now performed through computer simulation. These virtual physical representations have the potential to provide accurate and valid modeling results and are being used in many different technical fields. Risk assessment now has the opportunity to use 3D simulation to improve analysis results and insights, especially for external event analysis. By using simulations, the modeler only has to determine the likelihood of an event without having to also predict the results of that event. The 3D simulation automatically determines not only the outcome of the event, but when those failures occur. How can we effectively incorporate 3D simulation into traditional PRA? Most PRA plant modeling is made up of components with different failure modes, probabilities, and rates. Typically, these components are grouped into various systems and then are modeled together (in different combinations) as a “system” with logic structures to form fault trees. Applicable fault trees are combined through scenarios, typically represented by event tree models. Though this method gives us failure results for a given model, it has limitations when it comes to time-based dependencies or dependencies that are coupled to physical processes which may themselves be space- or time-dependent. Since, failures from a 3D simulation are naturally time related, they should be used in that manner. In our simulation approach, traditional static models are converted into an equivalent state diagram representation with start states, probabilistic driven movements between states and terminal states. As the state model is run repeatedly, it converges to the same results as the PRA model in cases where time-related factors are not important. In cases where timing considerations are important (e.g., when events are dependent upon each other), then the simulation approach will typically

  12. CASTLE3D - A Computer Aided System for Labelling Archaeological Excavations in 3D

    NASA Astrophysics Data System (ADS)

    Houshiar, H.; Borrmann, D.; Elseberg, J.; Nüchter, A.; Näth, F.; Winkler, S.

    2015-08-01

    Documentation of archaeological excavation sites with conventional methods and tools such as hand drawings, measuring tape and archaeological notes is time consuming. This process is prone to human errors and the quality of the documentation depends on the qualification of the archaeologist on site. Use of modern technology and methods in 3D surveying and 3D robotics facilitate and improve this process. Computer-aided systems and databases improve the documentation quality and increase the speed of data acquisition. 3D laser scanning is the state of the art in modelling archaeological excavation sites, historical sites and even entire cities or landscapes. Modern laser scanners are capable of data acquisition of up to 1 million points per second. This provides a very detailed 3D point cloud of the environment. 3D point clouds and 3D models of an excavation site provide a better representation of the environment for the archaeologist and for documentation. The point cloud can be used both for further studies on the excavation and for the presentation of results. This paper introduces a Computer aided system for labelling archaeological excavations in 3D (CASTLE3D). Consisting of a set of tools for recording and georeferencing the 3D data from an excavation site, CASTLE3D is a novel documentation approach in industrial archaeology. It provides a 2D and 3D visualisation of the data and an easy-to-use interface that enables the archaeologist to select regions of interest and to interact with the data in both representations. The 2D visualisation and a 3D orthogonal view of the data provide cuts of the environment that resemble the traditional hand drawings. The 3D perspective view gives a realistic view of the environment. CASTLE3D is designed as an easy-to-use on-site semantic mapping tool for archaeologists. Each project contains a predefined set of semantic information that can be used to label findings in the data. Multiple regions of interest can be joined under

  13. From 3D view to 3D print

    NASA Astrophysics Data System (ADS)

    Dima, M.; Farisato, G.; Bergomi, M.; Viotto, V.; Magrin, D.; Greggio, D.; Farinato, J.; Marafatto, L.; Ragazzoni, R.; Piazza, D.

    2014-08-01

    In the last few years 3D printing is getting more and more popular and used in many fields going from manufacturing to industrial design, architecture, medical support and aerospace. 3D printing is an evolution of bi-dimensional printing, which allows to obtain a solid object from a 3D model, realized with a 3D modelling software. The final product is obtained using an additive process, in which successive layers of material are laid down one over the other. A 3D printer allows to realize, in a simple way, very complex shapes, which would be quite difficult to be produced with dedicated conventional facilities. Thanks to the fact that the 3D printing is obtained superposing one layer to the others, it doesn't need any particular work flow and it is sufficient to simply draw the model and send it to print. Many different kinds of 3D printers exist based on the technology and material used for layer deposition. A common material used by the toner is ABS plastics, which is a light and rigid thermoplastic polymer, whose peculiar mechanical properties make it diffusely used in several fields, like pipes production and cars interiors manufacturing. I used this technology to create a 1:1 scale model of the telescope which is the hardware core of the space small mission CHEOPS (CHaracterising ExOPlanets Satellite) by ESA, which aims to characterize EXOplanets via transits observations. The telescope has a Ritchey-Chrétien configuration with a 30cm aperture and the launch is foreseen in 2017. In this paper, I present the different phases for the realization of such a model, focusing onto pros and cons of this kind of technology. For example, because of the finite printable volume (10×10×12 inches in the x, y and z directions respectively), it has been necessary to split the largest parts of the instrument in smaller components to be then reassembled and post-processed. A further issue is the resolution of the printed material, which is expressed in terms of layers

  14. Mixed Valence Niobium

    NASA Astrophysics Data System (ADS)

    Keating, Steven James

    1992-01-01

    The structural, crystal-chemical, and electrical properties of perovskites are reviewed, with respect to metallic phases similar to tungsten bronze. Phase diagrams are presented for the SrO-NbO-NbO_{2.5 } and SrNbO_3-KNbO _3-rm Sr_{0.5}NbO _3 ternaries, and for the SrNbO_3 -rm Sr_{0.5}NbO_3 binary. The influence of oxygen partial pressure, temperature, melting, and solid solutions affecting the perovskite phase rm Sr_{x}NbO _3 (0.75 <= x < 1.0) are detailed. The phase rm Sr_5Nb_4O_{15-y} (0.0 <= y <= 1.04) is discussed and XRD data are presented. The effects of A-cation substitutions in the rm A_{x}NbO_3 (A = K^+, Ba^{2+ }, Sr^{2+}, La^{3+}, Gd^ {3+}, Y^{3+} ) perovskite have been investigated. Large ions such as K^+ and Ba^ {2+} cause x to approach unity, whereas smaller ions such as Sr^{2+} and La^{3+} increase the ability of the A-site to accommodate vacancies (i.e. x < 1). Ba^{2+} results in an increase in the lattice parameter of the perovskite, whereas K^+ (which requires oxidation of Nb^{4+} to Nb^{5+}) results in a lattice parameter decrease, even though it has an ionic radius similar to Ba^{2+} . A unique relationship between unit cell volume and valence is established, suggesting that the oxidation state of the NbO_6 network dictates the lattice parameters and stability of the perovskite. The resistivity variation for rm Sr_{x}NbO_3, (Ba,Sr)NbO _3, (K,Sr)NbO_3, and (rm K_{0.5}Sr_ {0.5})NbO_3 indicates metallic behavior between 298K and 77K. Resistivity increased as the Nb was oxidized from Nb^{4+} to Nb^{5+}, but metallic properties persisted to at least Nb^ {5+}/(Nb^{5+} + Nb^{4+}) = 0.5. The influence of the exchanges Sr^{2+} = Ba^{2+} and V_{rm A} + Sr ^{2+} = 2K^+ on the electrical resistivity of the perovskite suggests ordering or band structure effects which are orders of magnitude stronger than those observed in metal alloys. Magnetic susceptibility measurements indicate Pauli-paramagnetism. At low temperature (<15K), the paramagnetic

  15. 3-D Cavern Enlargement Analyses

    SciTech Connect

    EHGARTNER, BRIAN L.; SOBOLIK, STEVEN R.

    2002-03-01

    Three-dimensional finite element analyses simulate the mechanical response of enlarging existing caverns at the Strategic Petroleum Reserve (SPR). The caverns are located in Gulf Coast salt domes and are enlarged by leaching during oil drawdowns as fresh water is injected to displace the crude oil from the caverns. The current criteria adopted by the SPR limits cavern usage to 5 drawdowns (leaches). As a base case, 5 leaches were modeled over a 25 year period to roughly double the volume of a 19 cavern field. Thirteen additional leaches where then simulated until caverns approached coalescence. The cavern field approximated the geometries and geologic properties found at the West Hackberry site. This enabled comparisons are data collected over nearly 20 years to analysis predictions. The analyses closely predicted the measured surface subsidence and cavern closure rates as inferred from historic well head pressures. This provided the necessary assurance that the model displacements, strains, and stresses are accurate. However, the cavern field has not yet experienced the large scale drawdowns being simulated. Should they occur in the future, code predictions should be validated with actual field behavior at that time. The simulations were performed using JAS3D, a three dimensional finite element analysis code for nonlinear quasi-static solids. The results examine the impacts of leaching and cavern workovers, where internal cavern pressures are reduced, on surface subsidence, well integrity, and cavern stability. The results suggest that the current limit of 5 oil drawdowns may be extended with some mitigative action required on the wells and later on to surface structure due to subsidence strains. The predicted stress state in the salt shows damage to start occurring after 15 drawdowns with significant failure occurring at the 16th drawdown, well beyond the current limit of 5 drawdowns.

  16. YouDash3D: exploring stereoscopic 3D gaming for 3D movie theaters

    NASA Astrophysics Data System (ADS)

    Schild, Jonas; Seele, Sven; Masuch, Maic

    2012-03-01

    Along with the success of the digitally revived stereoscopic cinema, events beyond 3D movies become attractive for movie theater operators, i.e. interactive 3D games. In this paper, we present a case that explores possible challenges and solutions for interactive 3D games to be played by a movie theater audience. We analyze the setting and showcase current issues related to lighting and interaction. Our second focus is to provide gameplay mechanics that make special use of stereoscopy, especially depth-based game design. Based on these results, we present YouDash3D, a game prototype that explores public stereoscopic gameplay in a reduced kiosk setup. It features live 3D HD video stream of a professional stereo camera rig rendered in a real-time game scene. We use the effect to place the stereoscopic effigies of players into the digital game. The game showcases how stereoscopic vision can provide for a novel depth-based game mechanic. Projected trigger zones and distributed clusters of the audience video allow for easy adaptation to larger audiences and 3D movie theater gaming.

  17. Micro-valences: perceiving affective valence in everyday objects.

    PubMed

    Lebrecht, Sophie; Bar, Moshe; Barrett, Lisa Feldman; Tarr, Michael J

    2012-01-01

    Perceiving the affective valence of objects influences how we think about and react to the world around us. Conversely, the speed and quality with which we visually recognize objects in a visual scene can vary dramatically depending on that scene's affective content. Although typical visual scenes contain mostly "everyday" objects, the affect perception in visual objects has been studied using somewhat atypical stimuli with strong affective valences (e.g., guns or roses). Here we explore whether affective valence must be strong or overt to exert an effect on our visual perception. We conclude that everyday objects carry subtle affective valences - "micro-valences" - which are intrinsic to their perceptual representation. PMID:22529828

  18. Optical population of free iodine molecule ion-pair states and their RgI 2(IP) complexes via RgI 2 vdW complexes of valence states correlating with the third dissociation limit

    NASA Astrophysics Data System (ADS)

    Lukashov, S. S.; Novikova, I. Yu.; Poretsky, S. A.; Pravilov, A. M.; Torgashkova, A. S.

    2007-07-01

    Spectral and kinetic analysis of luminescence in the λ = 220-500 nm spectral range observed after three-step, 532.124 + 1024.48 + 532.24 nm, laser excitation of the I 2 + Rg mixtures, Rg = He-Xe, in wide 2. 7-100 Torr Rg pressures shows that one cannot describe the spectral features as well as their dependences on Rg pressures in framework of competition of spontaneous and collision-induced processes in a free iodine molecule. The same conclusion has been drawn after analysis of the papers concerning one-photon laser photolysis of these mixtures. To explain all these data, one has to take into consideration photoexcitation of the RgI 2(IP) complexes via the complexes and colliding pairs of rare gases and valence state iodine molecules.

  19. Molybdenum Valence in Basaltic Silicate Melts

    NASA Technical Reports Server (NTRS)

    Danielson, L. R.; Righter, K.; Newville, M.; Sutton, S.; Pando, K.

    2010-01-01

    The moderately siderophile element molybdenum has been used as an indicator in planetary differentiation processes, and is particularly relevant to core formation [for example, 1-6]. However, models that apply experimental data to an equilibrium differentiation scenario infer the oxidation state of molybdenum from solubility data or from multivariable coefficients from metal-silicate partitioning data [1,3,7]. Partitioning behavior of molybdenum, a multivalent element with a transition near the J02 of interest for core formation (IW-2) will be sensitive to changes in JO2 of the system and silicate melt structure. In a silicate melt, Mo can occur in either 4+ or 6+ valence state, and Mo6+ can be either octahedrally or tetrahedrally coordinated. Here we present first XANES measurements of Mo valence in basaltic run products at a range of P, T, and JO2 and further quantify the valence transition of Mo.

  20. Remote 3D Medical Consultation

    NASA Astrophysics Data System (ADS)

    Welch, Greg; Sonnenwald, Diane H.; Fuchs, Henry; Cairns, Bruce; Mayer-Patel, Ketan; Yang, Ruigang; State, Andrei; Towles, Herman; Ilie, Adrian; Krishnan, Srinivas; Söderholm, Hanna M.

    Two-dimensional (2D) video-based telemedical consultation has been explored widely in the past 15-20 years. Two issues that seem to arise in most relevant case studies are the difficulty associated with obtaining the desired 2D camera views, and poor depth perception. To address these problems we are exploring the use of a small array of cameras to synthesize a spatially continuous range of dynamic three-dimensional (3D) views of a remote environment and events. The 3D views can be sent across wired or wireless networks to remote viewers with fixed displays or mobile devices such as a personal digital assistant (PDA). The viewpoints could be specified manually or automatically via user head or PDA tracking, giving the remote viewer virtual head- or hand-slaved (PDA-based) remote cameras for mono or stereo viewing. We call this idea remote 3D medical consultation (3DMC). In this article we motivate and explain the vision for 3D medical consultation; we describe the relevant computer vision/graphics, display, and networking research; we present a proof-of-concept prototype system; and we present some early experimental results supporting the general hypothesis that 3D remote medical consultation could offer benefits over conventional 2D televideo.

  1. Speaking Volumes About 3-D

    NASA Technical Reports Server (NTRS)

    2002-01-01

    In 1999, Genex submitted a proposal to Stennis Space Center for a volumetric 3-D display technique that would provide multiple users with a 360-degree perspective to simultaneously view and analyze 3-D data. The futuristic capabilities of the VolumeViewer(R) have offered tremendous benefits to commercial users in the fields of medicine and surgery, air traffic control, pilot training and education, computer-aided design/computer-aided manufacturing, and military/battlefield management. The technology has also helped NASA to better analyze and assess the various data collected by its satellite and spacecraft sensors. Genex capitalized on its success with Stennis by introducing two separate products to the commercial market that incorporate key elements of the 3-D display technology designed under an SBIR contract. The company Rainbow 3D(R) imaging camera is a novel, three-dimensional surface profile measurement system that can obtain a full-frame 3-D image in less than 1 second. The third product is the 360-degree OmniEye(R) video system. Ideal for intrusion detection, surveillance, and situation management, this unique camera system offers a continuous, panoramic view of a scene in real time.

  2. Modeling the steady-state ISV (in situ vitrification) process: A 3-D finite element analysis of coupled thermal-electric fields

    SciTech Connect

    Langerman, M.A.

    1990-09-01

    Steady-state modeling considerations for simulating the in situ vitrification (ISV) process are documented based upon the finite element numerical approach. Recommendations regarding boundary condition specifications and mesh discretization are presented. The effects of several parameters on the ISV process response are calculated and the results discussed. The parameters investigated include: (1) electrode depth, (2) ambient temperature, (3) supplied current, (4) electrical conductivity, (5) electrode separation, and (6) soil/waste characterization. 13 refs., 29 figs., 1 tab.

  3. Spin Liquid State in the 3D Frustrated Antiferromagnet PbCuTe_{2}O_{6}: NMR and Muon Spin Relaxation Studies.

    PubMed

    Khuntia, P; Bert, F; Mendels, P; Koteswararao, B; Mahajan, A V; Baenitz, M; Chou, F C; Baines, C; Amato, A; Furukawa, Y

    2016-03-11

    PbCuTe_{2}O_{6} is a rare example of a spin liquid candidate featuring a three-dimensional magnetic lattice. Strong geometric frustration arises from the dominant antiferromagnetic interaction that generates a hyperkagome network of Cu^{2+} ions although additional interactions enhance the magnetic lattice connectivity. Through a combination of magnetization measurements and local probe investigations by NMR and muon spin relaxation down to 20 mK, we provide robust evidence for the absence of magnetic freezing in the ground state. The local spin susceptibility probed by the NMR shift hardly deviates from the macroscopic one down to 1 K pointing to a homogeneous magnetic system with a low defect concentration. The saturation of the NMR shift and the sublinear power law temperature (T) evolution of the 1/T_{1} NMR relaxation rate at low T point to a nonsinglet ground state favoring a gapless fermionic description of the magnetic excitations. Below 1 K a pronounced slowing down of the spin dynamics is witnessed, which may signal a reconstruction of spinon Fermi surface. Nonetheless, the compound remains in a fluctuating spin liquid state down to the lowest temperature of the present investigation. PMID:27015508

  4. Spin liquid state in the 3D frustrated antiferromagnet PbCuTe2O6: NMR and muon spin relaxation studies

    DOE PAGESBeta

    Khuntia, P.; Bert, F.; Mendels, P.; Koteswararao, B.; Mahajan, A. V.; Baenitz, M.; Chou, F. C.; Baines, C.; Amato, A.; Furukawa, Y.

    2016-03-11

    In this study, PbCuTe2O6 is a rare example of a spin liquid candidate featuring a three-dimensional magnetic lattice. Strong geometric frustration arises from the dominant antiferromagnetic interaction that generates a hyperkagome network of Cu2+ ions although additional interactions enhance the magnetic lattice connectivity. Through a combination of magnetization measurements and local probe investigations by NMR and muon spin relaxation down to 20 mK, we provide robust evidence for the absence of magnetic freezing in the ground state. The local spin susceptibility probed by the NMR shift hardly deviates from the macroscopic one down to 1 K pointing to a homogeneousmore » magnetic system with a low defect concentration. The saturation of the NMR shift and the sublinear power law temperature (T) evolution of the 1/T1 NMR relaxation rate at low T point to a nonsinglet ground state favoring a gapless fermionic description of the magnetic excitations. Below 1 K a pronounced slowing down of the spin dynamics is witnessed, which may signal a reconstruction of spinon Fermi surface. Nonetheless, the compound remains in a fluctuating spin liquid state down to the lowest temperature of the present investigation.« less

  5. Spin Liquid State in the 3D Frustrated Antiferromagnet PbCuTe2 O6 : NMR and Muon Spin Relaxation Studies

    NASA Astrophysics Data System (ADS)

    Khuntia, P.; Bert, F.; Mendels, P.; Koteswararao, B.; Mahajan, A. V.; Baenitz, M.; Chou, F. C.; Baines, C.; Amato, A.; Furukawa, Y.

    2016-03-01

    PbCuTe2O6 is a rare example of a spin liquid candidate featuring a three-dimensional magnetic lattice. Strong geometric frustration arises from the dominant antiferromagnetic interaction that generates a hyperkagome network of Cu2 + ions although additional interactions enhance the magnetic lattice connectivity. Through a combination of magnetization measurements and local probe investigations by NMR and muon spin relaxation down to 20 mK, we provide robust evidence for the absence of magnetic freezing in the ground state. The local spin susceptibility probed by the NMR shift hardly deviates from the macroscopic one down to 1 K pointing to a homogeneous magnetic system with a low defect concentration. The saturation of the NMR shift and the sublinear power law temperature (T ) evolution of the 1 /T1 NMR relaxation rate at low T point to a nonsinglet ground state favoring a gapless fermionic description of the magnetic excitations. Below 1 K a pronounced slowing down of the spin dynamics is witnessed, which may signal a reconstruction of spinon Fermi surface. Nonetheless, the compound remains in a fluctuating spin liquid state down to the lowest temperature of the present investigation.

  6. Local Diagnosis of Reconnection in 3D

    NASA Astrophysics Data System (ADS)

    Scudder, J. D.; Karimabadi, H.; Daughton, W. S.; Roytershteyn, V.

    2014-12-01

    We demonstrate (I,II) an approach to find reconnection sites in 3D where there is no flux function for guidance, and where local observational signatures for the ``violation of frozen flux'' are under developed, if not non-existent. We use 2D and 3D PIC simulations of asymmetric guide field reconnection to test our observational hierarchy of single spacecraft kinetic diagnostics - all possible with present state of the art instrumentation. The proliferation of turbulent, electron inertial scale layers in the realistic 3D case demonstrates that electron demagnetization, while necessary, is not sufficient to identify reconnection sites. An excellent local, observable, single spacecraft proxy is demonstrated for the size of the theoretical frozen flux violation. Since even frozen flux violations need not imply reconnection is at hand, a new calibrated dimensionless method is used to determine the importance of such violations. This measure is available in 2D and 3D to help differentiate reconnection layers from weaker frozen flux violating layers. We discuss the possibility that this technique can be implemented on MMS. A technique to highlight flow geometries conducive to reconnection in 3D simulations is also suggested, that may also be implementable with the MMS flotilla. We use local analysis with multiple necessary, but theoretically independent electron kinetic conditions to help reduce the probability of misidentification of any given layer as a reconnection site. Since these local conditions are all necessary for the site, but none is known to be sufficient, the multiple tests help to greatly reduce false positive identifications. The selectivity of the results of this approach using PIC simulations of 3D asymmetric guide field reconnection will be shown using varying numbers of simultaneous conditions. Scudder, J.D., H. Karimabadi, W. Daughton and V. Roytershteyn I, II, submitted Phys. Plasma., 2014

  7. 3D-Printed Microfluidics.

    PubMed

    Au, Anthony K; Huynh, Wilson; Horowitz, Lisa F; Folch, Albert

    2016-03-14

    The advent of soft lithography allowed for an unprecedented expansion in the field of microfluidics. However, the vast majority of PDMS microfluidic devices are still made with extensive manual labor, are tethered to bulky control systems, and have cumbersome user interfaces, which all render commercialization difficult. On the other hand, 3D printing has begun to embrace the range of sizes and materials that appeal to the developers of microfluidic devices. Prior to fabrication, a design is digitally built as a detailed 3D CAD file. The design can be assembled in modules by remotely collaborating teams, and its mechanical and fluidic behavior can be simulated using finite-element modeling. As structures are created by adding materials without the need for etching or dissolution, processing is environmentally friendly and economically efficient. We predict that in the next few years, 3D printing will replace most PDMS and plastic molding techniques in academia. PMID:26854878

  8. X-Ray Emission Spectra and Electronic Structures of Red Phosphorus, 3d Transition-Metal Phosphides and III V Compounds

    NASA Astrophysics Data System (ADS)

    Sugiura, Chikara

    1995-07-01

    The P Kβ emission spectra in fluorescence from red amorphous phosphorus, 3d transition-metal phosphides TiP, CrP, FeP, Fe2P, Fe3P, CoP, Co2P, Ni5P4, Ni2P, Ni3P, Cu3P, ZnP2 (black) and Zn3P2, and the semiconducting phosphides of the III-V type, BP, AlP, GaP and InP are measured with a high-resolution two-crystal vacuum spectrometer equipped with Ge(111) crystals. The influence of the metal atoms appears distinctly on the P Kβ fluorescence emission spectra. The measured spectra are compared with available X-ray emission and XPS valence-band spectra and theoretical energy-band calculations on a common energy scale. It is shown that considerable p-d, s mixing occurs in the valence bands of the 3d transition-metal phosphides and the P 3p states mix fairly with the P 3s states in the valence bands of red phosphorus, Gap and InP

  9. A quasi steady state method for solving transient Darcy flow in complex 3D fractured networks accounting for matrix to fracture flow

    NASA Astrophysics Data System (ADS)

    Nœtinger, B.

    2015-02-01

    Modeling natural Discrete Fracture Networks (DFN) receives more and more attention in applied geosciences, from oil and gas industry, to geothermal recovery and aquifer management. The fractures may be either natural, or artificial in case of well stimulation. Accounting for the flow inside the fracture network, and accounting for the transfers between the matrix and the fractures, with the same level of accuracy is an important issue for calibrating the well architecture and for setting up optimal resources recovery strategies. Recently, we proposed an original method allowing to model transient pressure diffusion in the fracture network only [1]. The matrix was assumed to be impervious. A systematic approximation scheme was built, allowing to model the initial DFN by a set of N unknowns located at each identified intersection between fractures. The higher N, the higher the accuracy of the model. The main assumption was using a quasi steady state hypothesis, that states that the characteristic diffusion time over one single fracture is negligible compared with the characteristic time of the macroscopic problem, e.g. change of boundary conditions. In that context, the lowest order approximation N = 1 has the form of solving a transient problem in a resistor/capacitor network, a so-called pipe network. Its topology is the same as the network of geometrical intersections between fractures. In this paper, we generalize this approach in order to account for fluxes from matrix to fractures. The quasi steady state hypothesis at the fracture level is still kept. Then, we show that in the case of well separated time scales between matrix and fractures, the preceding model needs only to be slightly modified in order to incorporate these fluxes. The additional knowledge of the so-called matrix to fracture transfer function allows to modify the mass matrix that becomes a time convolution operator. This is reminiscent of existing space averaged transient dual porosity models.

  10. 3D Visualization of the Iron Oxidation State in FeO/Fe3O4 Core-Shell Nanocubes from Electron Energy Loss Tomography.

    PubMed

    Torruella, Pau; Arenal, Raúl; de la Peña, Francisco; Saghi, Zineb; Yedra, Lluís; Eljarrat, Alberto; López-Conesa, Lluís; Estrader, Marta; López-Ortega, Alberto; Salazar-Alvarez, Germán; Nogués, Josep; Ducati, Caterina; Midgley, Paul A; Peiró, Francesca; Estradé, Sonia

    2016-08-10

    The physicochemical properties used in numerous advanced nanostructured devices are directly controlled by the oxidation states of their constituents. In this work we combine electron energy-loss spectroscopy, blind source separation, and computed tomography to reconstruct in three dimensions the distribution of Fe(2+) and Fe(3+) ions in a FeO/Fe3O4 core/shell cube-shaped nanoparticle with nanometric resolution. The results highlight the sharpness of the interface between both oxides and provide an average shell thickness, core volume, and average cube edge length measurements in agreement with the magnetic characterization of the sample. PMID:27383904

  11. 3D Computations and Experiments

    SciTech Connect

    Couch, R; Faux, D; Goto, D; Nikkel, D

    2004-04-05

    This project consists of two activities. Task A, Simulations and Measurements, combines all the material model development and associated numerical work with the materials-oriented experimental activities. The goal of this effort is to provide an improved understanding of dynamic material properties and to provide accurate numerical representations of those properties for use in analysis codes. Task B, ALE3D Development, involves general development activities in the ALE3D code with the focus of improving simulation capabilities for problems of mutual interest to DoD and DOE. Emphasis is on problems involving multi-phase flow, blast loading of structures and system safety/vulnerability studies.

  12. 3D Computations and Experiments

    SciTech Connect

    Couch, R; Faux, D; Goto, D; Nikkel, D

    2003-05-12

    This project is in its first full year after the combining of two previously funded projects: ''3D Code Development'' and ''Dynamic Material Properties''. The motivation behind this move was to emphasize and strengthen the ties between the experimental work and the computational model development in the materials area. The next year's activities will indicate the merging of the two efforts. The current activity is structured in two tasks. Task A, ''Simulations and Measurements'', combines all the material model development and associated numerical work with the materials-oriented experimental activities. Task B, ''ALE3D Development'', is a continuation of the non-materials related activities from the previous project.

  13. Exploring 3D structure of human gonadotropin hormone receptor at antagonist state using homology modeling, molecular dynamic simulation, and cross-docking studies.

    PubMed

    Sakhteman, Amirhossein; Khoddami, Minasadat; Negahdaripour, Manica; Mehdizadeh, Arash; Tatar, Mohsen; Ghasemi, Younes

    2016-09-01

    Human gonadotropin hormone receptor, a G-protein coupled receptor, is the target of many medications used in fertility disorders. Obtaining more structural information about the receptor could be useful in many studies related to drug design. In this study, the structure of human gonadotropin receptor was subjected to homology modeling studies and molecular dynamic simulation within a DPPC lipid bilayer for 100 ns. Several frames were thereafter extracted from simulation trajectories representing the receptor at different states. In order to find a proper model of the receptor at the antagonist state, all frames were subjected to cross-docking studies of some antagonists with known experimental values (Ki). Frame 194 revealed a reasonable correlation between docking calculated energy scores and experimental activity values (|r| = 0.91). The obtained correlation was validated by means of SSLR and showed the presence of no chance correlation for the obtained model. Different structural features reported for the receptor, such as two disulfide bridges and ionic lock between GLU90 and LYS 121 were also investigated in the final model. PMID:27561920

  14. Interface induced states at the boundary between a 3D topological insulator Bi2Se3 and a ferromagnetic insulator EuS

    NASA Astrophysics Data System (ADS)

    Eremeev, S. V.; Men`shov, V. N.; Tugushev, V. V.; Chulkov, E. V.

    2015-06-01

    By means of relativistic density functional theory (DFT) calculations we study electron band structure of the topological insulator (TI) Bi2Se3 thin films deposited on the ferromagnetic insulator (FMI) EuS substrate. In the Bi2Se3/EuS heterostructure, the gap opened in the spectrum of the topological state has a hybridization character and is shown to be controlled by the Bi2Se3 film thickness, while magnetic contribution to the gap is negligibly small. We also analyzed the effect of Eu doping on the magnetization of the Bi2Se3 film and demonstrated that the Eu impurity induces magnetic moments on neighboring Se and Bi atoms an order of magnitude larger than the substrate-induced moments. Recent magnetic and magneto-transport measurements in EuS/Bi2Se3 heterostructure are discussed.

  15. SNL3dFace

    2007-07-20

    This software distribution contains MATLAB and C++ code to enable identity verification using 3D images that may or may not contain a texture component. The code is organized to support system performance testing and system capability demonstration through the proper configuration of the available user interface. Using specific algorithm parameters the face recognition system has been demonstrated to achieve a 96.6% verification rate (Pd) at 0.001 false alarm rate. The system computes robust facial featuresmore » of a 3D normalized face using Principal Component Analysis (PCA) and Fisher Linear Discriminant Analysis (FLDA). A 3D normalized face is obtained by alighning each face, represented by a set of XYZ coordinated, to a scaled reference face using the Iterative Closest Point (ICP) algorithm. The scaled reference face is then deformed to the input face using an iterative framework with parameters that control the deformed surface regulation an rate of deformation. A variety of options are available to control the information that is encoded by the PCA. Such options include the XYZ coordinates, the difference of each XYZ coordinates from the reference, the Z coordinate, the intensity/texture values, etc. In addition to PCA/FLDA feature projection this software supports feature matching to obtain similarity matrices for performance analysis. In addition, this software supports visualization of the STL, MRD, 2D normalized, and PCA synthetic representations in a 3D environment.« less

  16. Making Inexpensive 3-D Models

    ERIC Educational Resources Information Center

    Manos, Harry

    2016-01-01

    Visual aids are important to student learning, and they help make the teacher's job easier. Keeping with the "TPT" theme of "The Art, Craft, and Science of Physics Teaching," the purpose of this article is to show how teachers, lacking equipment and funds, can construct a durable 3-D model reference frame and a model gravity…

  17. SNL3dFace

    SciTech Connect

    Russ, Trina; Koch, Mark; Koudelka, Melissa; Peters, Ralph; Little, Charles; Boehnen, Chris; Peters, Tanya

    2007-07-20

    This software distribution contains MATLAB and C++ code to enable identity verification using 3D images that may or may not contain a texture component. The code is organized to support system performance testing and system capability demonstration through the proper configuration of the available user interface. Using specific algorithm parameters the face recognition system has been demonstrated to achieve a 96.6% verification rate (Pd) at 0.001 false alarm rate. The system computes robust facial features of a 3D normalized face using Principal Component Analysis (PCA) and Fisher Linear Discriminant Analysis (FLDA). A 3D normalized face is obtained by alighning each face, represented by a set of XYZ coordinated, to a scaled reference face using the Iterative Closest Point (ICP) algorithm. The scaled reference face is then deformed to the input face using an iterative framework with parameters that control the deformed surface regulation an rate of deformation. A variety of options are available to control the information that is encoded by the PCA. Such options include the XYZ coordinates, the difference of each XYZ coordinates from the reference, the Z coordinate, the intensity/texture values, etc. In addition to PCA/FLDA feature projection this software supports feature matching to obtain similarity matrices for performance analysis. In addition, this software supports visualization of the STL, MRD, 2D normalized, and PCA synthetic representations in a 3D environment.

  18. 3D Printing: Exploring Capabilities

    ERIC Educational Resources Information Center

    Samuels, Kyle; Flowers, Jim

    2015-01-01

    As 3D printers become more affordable, schools are using them in increasing numbers. They fit well with the emphasis on product design in technology and engineering education, allowing students to create high-fidelity physical models to see and test different iterations in their product designs. They may also help students to "think in three…

  19. Metrological characterization of 3D imaging devices

    NASA Astrophysics Data System (ADS)

    Guidi, G.

    2013-04-01

    Manufacturers often express the performance of a 3D imaging device in various non-uniform ways for the lack of internationally recognized standard requirements for metrological parameters able to identify the capability of capturing a real scene. For this reason several national and international organizations in the last ten years have been developing protocols for verifying such performance. Ranging from VDI/VDE 2634, published by the Association of German Engineers and oriented to the world of mechanical 3D measurements (triangulation-based devices), to the ASTM technical committee E57, working also on laser systems based on direct range detection (TOF, Phase Shift, FM-CW, flash LADAR), this paper shows the state of the art about the characterization of active range devices, with special emphasis on measurement uncertainty, accuracy and resolution. Most of these protocols are based on special objects whose shape and size are certified with a known level of accuracy. By capturing the 3D shape of such objects with a range device, a comparison between the measured points and the theoretical shape they should represent is possible. The actual deviations can be directly analyzed or some derived parameters can be obtained (e.g. angles between planes, distances between barycenters of spheres rigidly connected, frequency domain parameters, etc.). This paper shows theoretical aspects and experimental results of some novel characterization methods applied to different categories of active 3D imaging devices based on both principles of triangulation and direct range detection.

  20. Confocal scanning laser microscopy with complementary 3D image analysis allows quantitative studies of functional state of ionoregulatory cells in the Nile tilapia (Oreochromis niloticus) following salinity challenge.

    PubMed

    Fridman, Sophie; Rana, Krishen J; Bron, James E

    2013-04-01

    The development of a novel three-dimensional image analysis technique of stacks generated by confocal laser scanning microscopy is described allowing visualization of mitochondria-rich cells (MRCs) in the seawater-adapted Nile tilapia in relation to their spatial location. This method permits the assessment and classification of both active and nonactive MRCs based on the distance of the top of the immunopositive cell from the epithelial surface. In addition, this technique offers the potential for informative and quantitative studies, for example, densitometric and morphometric measurements based on MRC functional state. Confocal scanning laser microscopy used with triple staining whole-mount immunohistochemistry was used to detect integumental MRCs in the yolk-sac larvae tail of the Nile tilapia following transfer from freshwater to elevated salinities, that is, 12.5 and 20 ppt. Mean active MRC volume was always significantly larger and displayed a greater staining intensity (GLM; P<0.05) than nonactive MRCs. Following transfer, the percentage of active MRCs was seen to increase as did MRC volume (GLM; P<0.05). PMID:23390074

  1. Measurements of the g-factors of the 2^+1 states in ^82Sr (25.3 d) and ^90Sr (28.8 y)

    NASA Astrophysics Data System (ADS)

    Rice, Samantha; Naimark, Samuel; Kumbartzki, Gerfried; Benczer-Koller, Noemie

    2012-10-01

    Magnetic moments and lifetimes of the 2^+1 states in ^84-88Sr isotopes were measured via the transient field technique and Coulomb excitation in inverse kinematics. The pending experiment will use ^78,86Kr beams from the TAMU Cyclotron to induce α-capture reactions on a ^12C target and produce the unstable isotopes of interest, ^82,90Sr. A new beam line, consisting of a target chamber, target cooling device, and external magnetic field, is being assembled at Rutgers. The ^12C target was evaporated on a substrate of gadolinium backed by a copper foil. A PIPS Si detector will detect α-particles exiting the target after the ^8Be breakup, and γ-rays will be detected by four Ge clover detectors. A digital data acquisition system will record α-γ coincidences. The angular correlation of the emitted γ-rays with respect to the beam direction will be determined from appropriate combinations of γ-ray intensities observed in various elements of the clover detectors. The measurement of the precession angles of the 2^+1 magnetic moments yield the experimental g-factors. The results will be compared to shell model calculations based on ^88Sr as a core nucleus.

  2. Equation of state and phase transition of deuterated ammonia monohydrate (ND3.D2O) measured by high-resolution neutron powder diffraction up to 500 MPa

    NASA Astrophysics Data System (ADS)

    Fortes, A. Dominic; Suard, Emmanuelle; Lemée-Cailleau, Marie-Hélène; Pickard, Christopher J.; Needs, Richard J.

    2009-10-01

    We describe the results of a neutron powder diffraction study of perdeuterated ammonia monohydrate (AMH, ND3ṡD2O) carried out in the range 102state of AMH I has parameters, V0=248.00(2) Å3, K0=7.33(3) GPa with the first pressure derivative of K0 fixed at the value obtained in ab initio calculations, (∂K0/∂P)T=K0'=5.3; the implied value of the second derivative is therefore (∂2K0/∂P2)T=K0″=-0.94(1) GPa-1. At 351 MPa, we observed that the transition from AMH I to AMH II occurred over a period of 90 min, with an associated reduction in molar volume of 4.6% and an increase in the incompressibility of 19.6%.

  3. Simulating gas and particulate pollution over the Middle East and the state of Qatar using a 3-D regional air quality modeling system

    NASA Astrophysics Data System (ADS)

    Fountoukis, Christos; Gladich, Ivan; Ayoub, Mohammed; Kais, Sabre; Ackermann, Luis; Skillern, Adam

    2016-04-01

    The rapid urbanization, industrialization and economic expansion in the Middle East have led to increased levels of atmospheric pollution with important implications for human health and climate. We applied the online-coupled meteorological and chemical transport Weather Research and Forecasting/Chemistry (WRF-Chem) model over the Middle Eastern domain, to simulate the concentration of gas and aerosols with a special focus over the state of Qatar. WRF-Chem was set to simulate pollutant concentrations along with the meteorology-chemistry interactions through the related direct, indirect and semi-direct feedback mechanisms. A triple-nested domain configuration was used with a high grid resolution (1x1 km2) over the region of Qatar. Model predictions are evaluated against intensive measurements of meteorological parameters (temperature, relative humidity and wind speed) as well as ozone and particulate matter taken from various measurement stations throughout Doha, Qatar during summer 2015. The ability of the model to capture the temporal and spatial variability of the observations is assessed and possible reasons for the model bias are explored through sensitivity tests. Emissions of both fine and coarse mode particles from construction activities in large urban Middle Eastern environments comprise a major pollution source that is unaccounted for in emission inventories used so far in large scale models for this part of the world.

  4. On the presence of Fe(IV) in Fe-ZSM-5 and FeSrO3-x --unequivocal detection of the 3d4 spin system by resonant inelastic X-ray scattering.

    PubMed

    Pirngruber, Gerhard D; Grunwaldt, Jan-Dierk; van Bokhoven, Jeroen A; Kalytta, Andreas; Reller, Armin; Safonova, Olga V; Glatzel, Pieter

    2006-09-21

    The contribution of a 3d(4) spin configuration to the valence electronic structure of Fe compounds can be probed via spin-selective Fe K-pre-edge absorption spectra, using resonant inelastic X-ray scattering (RIXS). The 3d(4) configuration of Fe(IV) can be unequivocally detected even in a mixture with the high-spin 3d(5) configuration of Fe(III). This is demonstrated on the perovskite FeSrO(3-x) with formal oxidation state Fe(IV). When the technique was applied to an Fe-ZSM-5 catalyst during reaction with N(2)O, no 3d(4) configuration was detected. The formation of Fe(IV) upon reaction of Fe-ZSM-5 with N(2)O can, therefore, be ruled out. PMID:16970419

  5. A 2D driven 3D vessel segmentation algorithm for 3D digital subtraction angiography data.

    PubMed

    Spiegel, M; Redel, T; Struffert, T; Hornegger, J; Doerfler, A

    2011-10-01

    Cerebrovascular disease is among the leading causes of death in western industrial nations. 3D rotational angiography delivers indispensable information on vessel morphology and pathology. Physicians make use of this to analyze vessel geometry in detail, i.e. vessel diameters, location and size of aneurysms, to come up with a clinical decision. 3D segmentation is a crucial step in this pipeline. Although a lot of different methods are available nowadays, all of them lack a method to validate the results for the individual patient. Therefore, we propose a novel 2D digital subtraction angiography (DSA)-driven 3D vessel segmentation and validation framework. 2D DSA projections are clinically considered as gold standard when it comes to measurements of vessel diameter or the neck size of aneurysms. An ellipsoid vessel model is applied to deliver the initial 3D segmentation. To assess the accuracy of the 3D vessel segmentation, its forward projections are iteratively overlaid with the corresponding 2D DSA projections. Local vessel discrepancies are modeled by a global 2D/3D optimization function to adjust the 3D vessel segmentation toward the 2D vessel contours. Our framework has been evaluated on phantom data as well as on ten patient datasets. Three 2D DSA projections from varying viewing angles have been used for each dataset. The novel 2D driven 3D vessel segmentation approach shows superior results against state-of-the-art segmentations like region growing, i.e. an improvement of 7.2% points in precision and 5.8% points for the Dice coefficient. This method opens up future clinical applications requiring the greatest vessel accuracy, e.g. computational fluid dynamic modeling. PMID:21908904

  6. A 2D driven 3D vessel segmentation algorithm for 3D digital subtraction angiography data

    NASA Astrophysics Data System (ADS)

    Spiegel, M.; Redel, T.; Struffert, T.; Hornegger, J.; Doerfler, A.

    2011-10-01

    Cerebrovascular disease is among the leading causes of death in western industrial nations. 3D rotational angiography delivers indispensable information on vessel morphology and pathology. Physicians make use of this to analyze vessel geometry in detail, i.e. vessel diameters, location and size of aneurysms, to come up with a clinical decision. 3D segmentation is a crucial step in this pipeline. Although a lot of different methods are available nowadays, all of them lack a method to validate the results for the individual patient. Therefore, we propose a novel 2D digital subtraction angiography (DSA)-driven 3D vessel segmentation and validation framework. 2D DSA projections are clinically considered as gold standard when it comes to measurements of vessel diameter or the neck size of aneurysms. An ellipsoid vessel model is applied to deliver the initial 3D segmentation. To assess the accuracy of the 3D vessel segmentation, its forward projections are iteratively overlaid with the corresponding 2D DSA projections. Local vessel discrepancies are modeled by a global 2D/3D optimization function to adjust the 3D vessel segmentation toward the 2D vessel contours. Our framework has been evaluated on phantom data as well as on ten patient datasets. Three 2D DSA projections from varying viewing angles have been used for each dataset. The novel 2D driven 3D vessel segmentation approach shows superior results against state-of-the-art segmentations like region growing, i.e. an improvement of 7.2% points in precision and 5.8% points for the Dice coefficient. This method opens up future clinical applications requiring the greatest vessel accuracy, e.g. computational fluid dynamic modeling.

  7. R3D Align: global pairwise alignment of RNA 3D structures using local superpositions

    PubMed Central

    Rahrig, Ryan R.; Leontis, Neocles B.; Zirbel, Craig L.

    2010-01-01

    Motivation: Comparing 3D structures of homologous RNA molecules yields information about sequence and structural variability. To compare large RNA 3D structures, accurate automatic comparison tools are needed. In this article, we introduce a new algorithm and web server to align large homologous RNA structures nucleotide by nucleotide using local superpositions that accommodate the flexibility of RNA molecules. Local alignments are merged to form a global alignment by employing a maximum clique algorithm on a specially defined graph that we call the ‘local alignment’ graph. Results: The algorithm is implemented in a program suite and web server called ‘R3D Align’. The R3D Align alignment of homologous 3D structures of 5S, 16S and 23S rRNA was compared to a high-quality hand alignment. A full comparison of the 16S alignment with the other state-of-the-art methods is also provided. The R3D Align program suite includes new diagnostic tools for the structural evaluation of RNA alignments. The R3D Align alignments were compared to those produced by other programs and were found to be the most accurate, in comparison with a high quality hand-crafted alignment and in conjunction with a series of other diagnostics presented. The number of aligned base pairs as well as measures of geometric similarity are used to evaluate the accuracy of the alignments. Availability: R3D Align is freely available through a web server http://rna.bgsu.edu/R3DAlign. The MATLAB source code of the program suite is also freely available for download at that location. Supplementary information: Supplementary data are available at Bioinformatics online. Contact: r-rahrig@onu.edu PMID:20929913

  8. The use of phosphonates for constructing 3d-4f clusters at high oxidation states: synthesis and characterization of two unusual heterometallic CeMn complexes.

    PubMed

    Wang, Mei; Yuan, Da-Qiang; Ma, Cheng-Bing; Yuan, Ming-Jian; Hu, Ming-Qiang; Li, Na; Chen, Hui; Chen, Chang-Neng; Liu, Qiu-Tian

    2010-08-21

    The use of phosphonic acids in the synthesis of mixed-metal CeMn complexes has led to the formation of two phosphonate complexes with unusual topologies: [Ce(2)Mn(6)O(6)(OH)(5)(t-BuPO(3))(6)(O(2)CMe)(3)] x 53 H(2)O (1 x 53 H(2)O) and [Ce(22)Mn(12)O(34)(MePO(3))(12)(O(2)CMe)(33)(OMe)(6)(NO(3))(H(2)O)(12)](n) (2). The two mixed-metal CeMn complexes were both prepared from a reaction system containing Mn(O(2)CMe)(2) and (NH(4))(2)[Ce(NO(3))(6)] with similar procedures except for using different phosphonic acids (tert-butylphosphonic acid and methylphosphonic acid, respectively) as coligands. Both complexes possess rare topology of triangular type, with compound 1 being a 0D discrete cluster, whereas, compound 2 is a 1D polymer. The octanuclear core of complex 1 is composed of three symmetry equivalent distorted cubanes {Ce(IV)(2)Mn(IV)(2)O(2)(OH)(2)} sharing a trigonal-bipyramidal unit {Ce(IV)(2)(OH)(3)} in the centre. Compound 2 is a one-dimensional chain polymer of identical Ce(22)Mn(12)O(34) units linked together by NO(3)(-) and MeCO(2)(-) groups, while the Ce(22)Mn(12)O(34) unit is constituted by two centrosymmetric Ce(9)(IV)Ce(2)(III)Mn(IV)(6)O(17) subunits, which features three identical distorted cubanes {Ce(IV)(2)Mn(IV)(2)O(4)} connecting to a central trigonal-bipyramidal unit {Ce(IV)(3)O(2)}, and two additional Ce(III) ions capping the top and bottom of the central trigonal bipyramid by six MePO(3)(2-) ligands. Complexes 1 and 2 are the first high-nuclearity Mn/Ln aggregates reported to date using phosphonates as ligands. Magnetic susceptibility measurements reveal that compound 1 displays dominant ferromagnetic interactions between the adjacent metal ions with the best fit parameters for the exchanges are J(1) = 6.186 cm(-1), J(2) = 4.172 cm(-1), and with a result of S = 9 ground state confirmed by the M versus HT(-1) data, which indicates the spins of all the six Mn(IV) ions in the cluster are parallel to each other. In contrast, the data for 2 reveals

  9. TACO (2D AND 3D). Taco

    SciTech Connect

    Mason, W.E.

    1983-03-01

    A set of finite element codes for the solution of nonlinear, two-dimensional (TACO2D) and three-dimensional (TACO3D) heat transfer problems. Performs linear and nonlinear analyses of both transient and steady state heat transfer problems. Has the capability to handle time or temperature dependent material properties. Materials may be either isotropic or orthotropic. A variety of time and temperature dependent boundary conditions and loadings are available including temperature, flux, convection, radiation, and internal heat generation.

  10. Fine Aerosol Bulk Composition Measured on WP-3D Research Aircraft in Vicinity of the Northeastern United States - Results from NEAQS

    NASA Technical Reports Server (NTRS)

    Peltier, R. E.; Sullivan, A. P.; Weber, R. J.; Brock, C. A.; Wollny, A. G.; Holloway, J. S.; deGouw, J. A.; Warneke, C.

    2007-01-01

    During the New England Air Quality Study (NEAQS) in the summer of 2004, airborne measurements were made of the major inorganic ions and the water-soluble organic carbon (WSOC) of the submicron (PM(sub 1.0)) aerosol. These and ancillary data are used to describe the overall aerosol chemical characteristics encountered during the study. Fine particle mass was estimated from particle volume and a calculated density based on measured particle composition. Fine particle organic matter (OM) was estimated from WSOC and a mass balance analysis. The aerosol over the northeastern United States (U.S.) and Canada was predominantly sulfate and associated ammonium, and organic components, although in unique plumes additional ionic components were also periodically above detection limits. In power generation regions, and especially in the Ohio River Valley region, the aerosol tended to be predominantly sulfate (approximately 60% micro gram /micro gram) and apparently acidic, based on an excess of measured anions compared to cations. In all other regions where sulfate concentrations were lower and a smaller fraction of overall mass, the cations and anions were balanced suggesting a more neutral aerosol. In contrast, the WSOC and estimated OM were more spatially uniform and the fraction of OM relative to PM mass was largely influenced by sources of sulfate. The study median OM mass fraction was 40%. Throughout the study region, sulfate and organic aerosol mass were highest near the surface and decreased rapidly with increasing altitude. The relative fraction of organic mass to sulfate was similar throughout all altitudes within the boundary layer (altitude less than 2.5 km), but was significantly higher at altitude layers in the free troposphere (above 2.5 km). A number of distinct biomass burning plumes from fires in Alaska and the Yukon were periodically intercepted, mostly at altitudes between 3 and 4 km. These plumes were associated with highest aerosol concentrations of the

  11. Investigation, development and application of optimal output feedback theory. Volume 2: Development of an optimal, limited state feedback outer-loop digital flight control system for 3-D terminal area operation

    NASA Technical Reports Server (NTRS)

    Broussard, J. R.; Halyo, N.

    1984-01-01

    This report contains the development of a digital outer-loop three dimensional radio navigation (3-D RNAV) flight control system for a small commercial jet transport. The outer-loop control system is designed using optimal stochastic limited state feedback techniques. Options investigated using the optimal limited state feedback approach include integrated versus hierarchical control loop designs, 20 samples per second versus 5 samples per second outer-loop operation and alternative Type 1 integration command errors. Command generator tracking techniques used in the digital control design enable the jet transport to automatically track arbitrary curved flight paths generated by waypoints. The performance of the design is demonstrated using detailed nonlinear aircraft simulations in the terminal area, frequency domain multi-input sigma plots, frequency domain single-input Bode plots and closed-loop poles. The response of the system to a severe wind shear during a landing approach is also presented.

  12. A Valence Tautomeric Dinuclear Copper Tetrakisguanidine Complex.

    PubMed

    Wiesner, Sven; Wagner, Arne; Kaifer, Elisabeth; Himmel, Hans-Jörg

    2016-07-18

    We report on the first valence tautomeric dinuclear copper complex, featuring 2,3,5,6-tetrakis(tetramethylguanidino)pyridine as a bridging redox-active GFA (guanidino-functionalized aromatic) ligand. The preferred electronic structure of the complex is massively influenced by the environment. In the solid state and in nonpolar solvents a paramagnetic, dinuclear Cu(II) complex with a neutral GFA ligand is present. In polar solvents, the electronic structure changes to a diamagnetic, dinuclear Cu(I) complex with a twofold-oxidized GFA ligand. Using acetone as a solvent, both electronic structures are accessible due to a temperature-dependent equilibrium between the two valence tautomeric complexes. Our results pave the way for a broader use of valence tautomeric transition-metal complexes in catalytic reactions since anionic coligands can now be tolerated owing to the neutral/positively charged GFA ligand. PMID:27310335

  13. Optoplasmonics: hybridization in 3D

    NASA Astrophysics Data System (ADS)

    Rosa, L.; Gervinskas, G.; Žukauskas, A.; Malinauskas, M.; Brasselet, E.; Juodkazis, S.

    2013-12-01

    Femtosecond laser fabrication has been used to make hybrid refractive and di ractive micro-optical elements in photo-polymer SZ2080. For applications in micro- uidics, axicon lenses were fabricated (both single and arrays), for generation of light intensity patterns extending through the entire depth of a typically tens-of-micrometers deep channel. Further hybridisation of an axicon with a plasmonic slot is fabricated and demonstrated nu- merically. Spiralling chiral grooves were inscribed into a 100-nm-thick gold coating sputtered over polymerized micro-axicon lenses, using a focused ion beam. This demonstrates possibility of hybridisation between optical and plasmonic 3D micro-optical elements. Numerical modelling of optical performance by 3D-FDTD method is presented.

  14. 3-D Relativistic MHD Simulations

    NASA Astrophysics Data System (ADS)

    Nishikawa, K.-I.; Frank, J.; Koide, S.; Sakai, J.-I.; Christodoulou, D. M.; Sol, H.; Mutel, R. L.

    1998-12-01

    We present 3-D numerical simulations of moderately hot, supersonic jets propagating initially along or obliquely to the field lines of a denser magnetized background medium with Lorentz factors of W = 4.56 and evolving in a four-dimensional spacetime. The new results are understood as follows: Relativistic simulations have consistently shown that these jets are effectively heavy and so they do not suffer substantial momentum losses and are not decelerated as efficiently as their nonrelativistic counterparts. In addition, the ambient magnetic field, however strong, can be pushed aside with relative ease by the beam, provided that the degrees of freedom associated with all three spatial dimensions are followed self-consistently in the simulations. This effect is analogous to pushing Japanese ``noren'' or vertical Venetian blinds out of the way while the slats are allowed to bend in 3-D space rather than as a 2-D slab structure.

  15. Forensic 3D Scene Reconstruction

    SciTech Connect

    LITTLE,CHARLES Q.; PETERS,RALPH R.; RIGDON,J. BRIAN; SMALL,DANIEL E.

    1999-10-12

    Traditionally law enforcement agencies have relied on basic measurement and imaging tools, such as tape measures and cameras, in recording a crime scene. A disadvantage of these methods is that they are slow and cumbersome. The development of a portable system that can rapidly record a crime scene with current camera imaging, 3D geometric surface maps, and contribute quantitative measurements such as accurate relative positioning of crime scene objects, would be an asset to law enforcement agents in collecting and recording significant forensic data. The purpose of this project is to develop a feasible prototype of a fast, accurate, 3D measurement and imaging system that would support law enforcement agents to quickly document and accurately record a crime scene.

  16. Forensic 3D scene reconstruction

    NASA Astrophysics Data System (ADS)

    Little, Charles Q.; Small, Daniel E.; Peters, Ralph R.; Rigdon, J. B.

    2000-05-01

    Traditionally law enforcement agencies have relied on basic measurement and imaging tools, such as tape measures and cameras, in recording a crime scene. A disadvantage of these methods is that they are slow and cumbersome. The development of a portable system that can rapidly record a crime scene with current camera imaging, 3D geometric surface maps, and contribute quantitative measurements such as accurate relative positioning of crime scene objects, would be an asset to law enforcement agents in collecting and recording significant forensic data. The purpose of this project is to develop a fieldable prototype of a fast, accurate, 3D measurement and imaging system that would support law enforcement agents to quickly document and accurately record a crime scene.

  17. 360-degree 3D profilometry

    NASA Astrophysics Data System (ADS)

    Song, Yuanhe; Zhao, Hong; Chen, Wenyi; Tan, Yushan

    1997-12-01

    A new method of 360 degree turning 3D shape measurement in which light sectioning and phase shifting techniques are both used is presented in this paper. A sine light field is applied in the projected light stripe, meanwhile phase shifting technique is used to calculate phases of the light slit. Thereafter wrapped phase distribution of the slit is formed and the unwrapping process is made by means of the height information based on the light sectioning method. Therefore phase measuring results with better precision can be obtained. At last the target 3D shape data can be produced according to geometric relationships between phases and the object heights. The principles of this method are discussed in detail and experimental results are shown in this paper.

  18. 3D Printable Graphene Composite.

    PubMed

    Wei, Xiaojun; Li, Dong; Jiang, Wei; Gu, Zheming; Wang, Xiaojuan; Zhang, Zengxing; Sun, Zhengzong

    2015-01-01

    In human being's history, both the Iron Age and Silicon Age thrived after a matured massive processing technology was developed. Graphene is the most recent superior material which could potentially initialize another new material Age. However, while being exploited to its full extent, conventional processing methods fail to provide a link to today's personalization tide. New technology should be ushered in. Three-dimensional (3D) printing fills the missing linkage between graphene materials and the digital mainstream. Their alliance could generate additional stream to push the graphene revolution into a new phase. Here we demonstrate for the first time, a graphene composite, with a graphene loading up to 5.6 wt%, can be 3D printable into computer-designed models. The composite's linear thermal coefficient is below 75 ppm·°C(-1) from room temperature to its glass transition temperature (Tg), which is crucial to build minute thermal stress during the printing process. PMID:26153673

  19. 3D Printed Robotic Hand

    NASA Technical Reports Server (NTRS)

    Pizarro, Yaritzmar Rosario; Schuler, Jason M.; Lippitt, Thomas C.

    2013-01-01

    Dexterous robotic hands are changing the way robots and humans interact and use common tools. Unfortunately, the complexity of the joints and actuations drive up the manufacturing cost. Some cutting edge and commercially available rapid prototyping machines now have the ability to print multiple materials and even combine these materials in the same job. A 3D model of a robotic hand was designed using Creo Parametric 2.0. Combining "hard" and "soft" materials, the model was printed on the Object Connex350 3D printer with the purpose of resembling as much as possible the human appearance and mobility of a real hand while needing no assembly. After printing the prototype, strings where installed as actuators to test mobility. Based on printing materials, the manufacturing cost of the hand was $167, significantly lower than other robotic hands without the actuators since they have more complex assembly processes.

  20. 3D light scanning macrography.

    PubMed

    Huber, D; Keller, M; Robert, D

    2001-08-01

    The technique of 3D light scanning macrography permits the non-invasive surface scanning of small specimens at magnifications up to 200x. Obviating both the problem of limited depth of field inherent to conventional close-up macrophotography and the metallic coating required by scanning electron microscopy, 3D light scanning macrography provides three-dimensional digital images of intact specimens without the loss of colour, texture and transparency information. This newly developed technique offers a versatile, portable and cost-efficient method for the non-invasive digital and photographic documentation of small objects. Computer controlled device operation and digital image acquisition facilitate fast and accurate quantitative morphometric investigations, and the technique offers a broad field of research and educational applications in biological, medical and materials sciences. PMID:11489078

  1. 3D-graphite structure

    SciTech Connect

    Belenkov, E. A. Ali-Pasha, V. A.

    2011-01-15

    The structure of clusters of some new carbon 3D-graphite phases have been calculated using the molecular-mechanics methods. It is established that 3D-graphite polytypes {alpha}{sub 1,1}, {alpha}{sub 1,3}, {alpha}{sub 1,5}, {alpha}{sub 2,1}, {alpha}{sub 2,3}, {alpha}{sub 3,1}, {beta}{sub 1,2}, {beta}{sub 1,4}, {beta}{sub 1,6}, {beta}{sub 2,1}, and {beta}{sub 3,2} consist of sp{sup 2}-hybridized atoms, have hexagonal unit cells, and differ in regards to the structure of layers and order of their alternation. A possible way to experimentally synthesize new carbon phases is proposed: the polymerization and carbonization of hydrocarbon molecules.

  2. Antiferromagnetism, valence fluctuation, and heavy-fermion behavior in EuCu2(Ge1-xSix)2

    NASA Astrophysics Data System (ADS)

    Hossain, Z.; Geibel, C.; Senthilkumaran, N.; Deppe, M.; Baenitz, M.; Schiller, F.; Molodtsov, S. L.

    2004-01-01

    We have investigated the magnetic, thermodynamic, transport, and electronic properties across the transition from the divalent antiferromagnetic state to the valence fluctuating state of Eu in the alloy EuCu2(Ge1-xSix)2. The antiferromagnetic state is very stable from x=0 up to x=0.6 and disappears rather abruptly at xc≈0.65. Near the crossover, we confirmed a pronounced Kondo-like behavior in the resistivity and in the thermopower. Further on, for x slightly larger than xc, we observe the formation of a heavy Fermi liquid at low temperatures, as evidenced by a large linear coefficient of the specific heat (γ=191 mJ/K2 mol for x=0.7), a large quadratic term in the resistivity and a strongly enhanced constant susceptibility χ0. This is a unique observation of heavy fermion behavior in a Eu compound. The photoemission spectra of the Eu 4f and 3d core levels indicate significant valence fluctuation even for xstate to a strongly valence fluctuating Eu state.

  3. [Real time 3D echocardiography].

    PubMed

    Bauer, F; Shiota, T; Thomas, J D

    2001-07-01

    Three-dimensional representation of the heart is an old concern. Usually, 3D reconstruction of the cardiac mass is made by successive acquisition of 2D sections, the spatial localisation and orientation of which require complex guiding systems. More recently, the concept of volumetric acquisition has been introduced. A matricial emitter-receiver probe complex with parallel data processing provides instantaneous of a pyramidal 64 degrees x 64 degrees volume. The image is restituted in real time and is composed of 3 planes (planes B and C) which can be displaced in all spatial directions at any time during acquisition. The flexibility of this system of acquisition allows volume and mass measurement with greater accuracy and reproducibility, limiting inter-observer variability. Free navigation of the planes of investigation allows reconstruction for qualitative and quantitative analysis of valvular heart disease and other pathologies. Although real time 3D echocardiography is ready for clinical usage, some improvements are still necessary to improve its conviviality. Then real time 3D echocardiography could be the essential tool for understanding, diagnosis and management of patients. PMID:11494630

  4. [Real time 3D echocardiography

    NASA Technical Reports Server (NTRS)

    Bauer, F.; Shiota, T.; Thomas, J. D.

    2001-01-01

    Three-dimensional representation of the heart is an old concern. Usually, 3D reconstruction of the cardiac mass is made by successive acquisition of 2D sections, the spatial localisation and orientation of which require complex guiding systems. More recently, the concept of volumetric acquisition has been introduced. A matricial emitter-receiver probe complex with parallel data processing provides instantaneous of a pyramidal 64 degrees x 64 degrees volume. The image is restituted in real time and is composed of 3 planes (planes B and C) which can be displaced in all spatial directions at any time during acquisition. The flexibility of this system of acquisition allows volume and mass measurement with greater accuracy and reproducibility, limiting inter-observer variability. Free navigation of the planes of investigation allows reconstruction for qualitative and quantitative analysis of valvular heart disease and other pathologies. Although real time 3D echocardiography is ready for clinical usage, some improvements are still necessary to improve its conviviality. Then real time 3D echocardiography could be the essential tool for understanding, diagnosis and management of patients.

  5. GPU-Accelerated Denoising in 3D (GD3D)

    2013-10-01

    The raw computational power GPU Accelerators enables fast denoising of 3D MR images using bilateral filtering, anisotropic diffusion, and non-local means. This software addresses two facets of this promising application: what tuning is necessary to achieve optimal performance on a modern GPU? And what parameters yield the best denoising results in practice? To answer the first question, the software performs an autotuning step to empirically determine optimal memory blocking on the GPU. To answer themore » second, it performs a sweep of algorithm parameters to determine the combination that best reduces the mean squared error relative to a noiseless reference image.« less

  6. Fabricating 3D figurines with personalized faces.

    PubMed

    Tena, J Rafael; Mahler, Moshe; Beeler, Thabo; Grosse, Max; Hengchin Yeh; Matthews, Iain

    2013-01-01

    We present a semi-automated system for fabricating figurines with faces that are personalised to the individual likeness of the customer. The efficacy of the system has been demonstrated by commercial deployments at Walt Disney World Resort and Star Wars Celebration VI in Orlando Florida. Although the system is semi automated, human intervention is limited to a few simple tasks to maintain the high throughput and consistent quality required for commercial application. In contrast to existing systems that fabricate custom heads that are assembled to pre-fabricated plastic bodies, our system seamlessly integrates 3D facial data with a predefined figurine body into a unique and continuous object that is fabricated as a single piece. The combination of state-of-the-art 3D capture, modelling, and printing that are the core of our system provide the flexibility to fabricate figurines whose complexity is only limited by the creativity of the designer. PMID:24808129

  7. 3D Elevation Program: summary for Vermont

    USGS Publications Warehouse

    Carswell, William J., Jr.

    2015-01-01

    The National Enhanced Elevation Assessment evaluated multiple elevation data acquisition options to determine the optimal data quality and data replacement cycle relative to cost to meet the identified requirements of the user community. The evaluation demonstrated that lidar acquisition at quality level 2 for the conterminous United States and quality level 5 interferometric synthetic aperture radar (ifsar) data for Alaska with a 6- to 10-year acquisition cycle provided the highest benefit/cost ratios. The 3D Elevation Program (3DEP) initiative selected an 8-year acquisition cycle for the respective quality levels. 3DEP, managed by the U.S. Geological Survey, the Office of Management and Budget Circular A–16 lead agency for terrestrial elevation data, responds to the growing need for high-quality topographic data and a wide range of other 3D representations of the Nation’s natural and constructed features.

  8. 3D Elevation Program: summary for Nebraska

    USGS Publications Warehouse

    Carswell, William J., Jr.

    2015-01-01

    The National Enhanced Elevation Assessment evaluated multiple elevation data acquisition options to determine the optimal data quality and data replacement cycle relative to cost to meet the identified requirements of the user community. The evaluation demonstrated that lidar acquisition at quality level 2 for the conterminous United States and quality level 5 interferometric synthetic aperture radar (ifsar) data for Alaska with a 6- to 10-year acquisition cycle provided the highest benefit/cost ratios. The 3D Elevation Program (3DEP) initiative selected an 8-year acquisition cycle for the respective quality levels. 3DEP, managed by the U.S. Geological Survey, the Office of Management and Budget Circular A–16 lead agency for terrestrial elevation data, responds to the growing need for high-quality topographic data and a wide range of other 3D representations of the Nation’s natural and constructed features.

  9. Magmatic Systems in 3-D

    NASA Astrophysics Data System (ADS)

    Kent, G. M.; Harding, A. J.; Babcock, J. M.; Orcutt, J. A.; Bazin, S.; Singh, S.; Detrick, R. S.; Canales, J. P.; Carbotte, S. M.; Diebold, J.

    2002-12-01

    Multichannel seismic (MCS) images of crustal magma chambers are ideal targets for advanced visualization techniques. In the mid-ocean ridge environment, reflections originating at the melt-lens are well separated from other reflection boundaries, such as the seafloor, layer 2A and Moho, which enables the effective use of transparency filters. 3-D visualization of seismic reflectivity falls into two broad categories: volume and surface rendering. Volumetric-based visualization is an extremely powerful approach for the rapid exploration of very dense 3-D datasets. These 3-D datasets are divided into volume elements or voxels, which are individually color coded depending on the assigned datum value; the user can define an opacity filter to reject plotting certain voxels. This transparency allows the user to peer into the data volume, enabling an easy identification of patterns or relationships that might have geologic merit. Multiple image volumes can be co-registered to look at correlations between two different data types (e.g., amplitude variation with offsets studies), in a manner analogous to draping attributes onto a surface. In contrast, surface visualization of seismic reflectivity usually involves producing "fence" diagrams of 2-D seismic profiles that are complemented with seafloor topography, along with point class data, draped lines and vectors (e.g. fault scarps, earthquake locations and plate-motions). The overlying seafloor can be made partially transparent or see-through, enabling 3-D correlations between seafloor structure and seismic reflectivity. Exploration of 3-D datasets requires additional thought when constructing and manipulating these complex objects. As numbers of visual objects grow in a particular scene, there is a tendency to mask overlapping objects; this clutter can be managed through the effective use of total or partial transparency (i.e., alpha-channel). In this way, the co-variation between different datasets can be investigated

  10. Sol-gel synthesis, phase composition, morphological and structural characterization of Ca10(PO4)6(OH)2: XRD, FTIR, SEM, 3D SEM and solid-state NMR studies

    NASA Astrophysics Data System (ADS)

    Kareiva, Simonas; Klimavicius, Vytautas; Momot, Aleksandr; Kausteklis, Jonas; Prichodko, Aleksandra; Dagys, Laurynas; Ivanauskas, Feliksas; Sakirzanovas, Simas; Balevicius, Vytautas; Kareiva, Aivaras

    2016-09-01

    Aqueous sol-gel chemistry route based on ammonium-hydrogen phosphate as the phosphorus precursor, calcium acetate monohydrate as source of calcium ions, and 1,2-ethylendiaminetetraacetic acid (EDTA), or 1,2-diaminocyclohexanetetracetic acid (DCTA), or tartaric acid (TA), or ethylene glycol (EG), or glycerol (GL) as complexing agents have been used to prepare calcium hydroxyapatite (Ca10(PO4)6(OH)2, CHAp). The phase transformations, composition, and structural changes in the polycrystalline samples were studied by infrared spectroscopy (FTIR), X-ray powder diffraction analysis (XRD), and scanning electron microscopy (SEM). The local short-range (nano- and mezo-) scale effects in CHAp were studied using solid-state NMR spectroscopy. The spatial 3D data from the SEM images of CHAp samples obtained by TA, EG and GL sol-gel routes were recovered for the first time to our knowledge.

  11. Ab initio and long-range investigation of the Ω(+/-) states of NaK dissociating adiabatically up to Na(3s 2S1/2) + K(3d 2D3/2)

    NASA Astrophysics Data System (ADS)

    Allouche, A. R.; Aubert-Frécon, M.

    2011-07-01

    A theoretical investigation of the electronic structure of the NaK molecule including spin-orbit effects has been performed for the 34 Ω(+/-) states dissociating adiabatically into the limits up to Na(3s2S1/2) + K(3d2D3/2) from both an ab initio approach and a long-range model. Equilibrium distances, transition energies, harmonic frequencies as well as depths of wells and heights of humps are reported for all the states. Formulas for calculating the long-range energies for all the 0+/-, 1, 2, and 3 states under investigation are also displayed. They are expressed in terms of the Cn (n = 6,8, …) long-range coefficients and exchange integrals for the 2S+1Λ(+) parent states, available from literature. As present data could help experimentalists we make available extensive tables of energy values versus internuclear distances in our database at the web address: http://www-lasim.univ-lyon1.fr/spip.php?rubrique99.

  12. Interactive 3D Mars Visualization

    NASA Technical Reports Server (NTRS)

    Powell, Mark W.

    2012-01-01

    The Interactive 3D Mars Visualization system provides high-performance, immersive visualization of satellite and surface vehicle imagery of Mars. The software can be used in mission operations to provide the most accurate position information for the Mars rovers to date. When integrated into the mission data pipeline, this system allows mission planners to view the location of the rover on Mars to 0.01-meter accuracy with respect to satellite imagery, with dynamic updates to incorporate the latest position information. Given this information so early in the planning process, rover drivers are able to plan more accurate drive activities for the rover than ever before, increasing the execution of science activities significantly. Scientifically, this 3D mapping information puts all of the science analyses to date into geologic context on a daily basis instead of weeks or months, as was the norm prior to this contribution. This allows the science planners to judge the efficacy of their previously executed science observations much more efficiently, and achieve greater science return as a result. The Interactive 3D Mars surface view is a Mars terrain browsing software interface that encompasses the entire region of exploration for a Mars surface exploration mission. The view is interactive, allowing the user to pan in any direction by clicking and dragging, or to zoom in or out by scrolling the mouse or touchpad. This set currently includes tools for selecting a point of interest, and a ruler tool for displaying the distance between and positions of two points of interest. The mapping information can be harvested and shared through ubiquitous online mapping tools like Google Mars, NASA WorldWind, and Worldwide Telescope.

  13. A Clean Adirondack (3-D)

    NASA Technical Reports Server (NTRS)

    2004-01-01

    This is a 3-D anaglyph showing a microscopic image taken of an area measuring 3 centimeters (1.2 inches) across on the rock called Adirondack. The image was taken at Gusev Crater on the 33rd day of the Mars Exploration Rover Spirit's journey (Feb. 5, 2004), after the rover used its rock abrasion tool brush to clean the surface of the rock. Dust, which was pushed off to the side during cleaning, can still be seen to the left and in low areas of the rock.

  14. Making Inexpensive 3-D Models

    NASA Astrophysics Data System (ADS)

    Manos, Harry

    2016-03-01

    Visual aids are important to student learning, and they help make the teacher's job easier. Keeping with the TPT theme of "The Art, Craft, and Science of Physics Teaching," the purpose of this article is to show how teachers, lacking equipment and funds, can construct a durable 3-D model reference frame and a model gravity well tailored to specific class lessons. Most of the supplies are readily available in the home or at school: rubbing alcohol, a rag, two colors of spray paint, art brushes, and masking tape. The cost of these supplies, if you don't have them, is less than 20.

  15. What Lies Ahead (3-D)

    NASA Technical Reports Server (NTRS)

    2004-01-01

    This 3-D cylindrical-perspective mosaic taken by the navigation camera on the Mars Exploration Rover Spirit on sol 82 shows the view south of the large crater dubbed 'Bonneville.' The rover will travel toward the Columbia Hills, seen here at the upper left. The rock dubbed 'Mazatzal' and the hole the rover drilled in to it can be seen at the lower left. The rover's position is referred to as 'Site 22, Position 32.' This image was geometrically corrected to make the horizon appear flat.

  16. Vacant Lander in 3-D

    NASA Technical Reports Server (NTRS)

    2004-01-01

    This 3-D image captured by the Mars Exploration Rover Opportunity's rear hazard-identification camera shows the now-empty lander that carried the rover 283 million miles to Meridiani Planum, Mars. Engineers received confirmation that Opportunity's six wheels successfully rolled off the lander and onto martian soil at 3:01 a.m. PST, January 31, 2004, on the seventh martian day, or sol, of the mission. The rover is approximately 1 meter (3 feet) in front of the lander, facing north.

  17. Integrated Biogeomorphological Modeling Using Delft3D

    NASA Astrophysics Data System (ADS)

    Ye, Q.; Jagers, B.

    2011-12-01

    The skill of numerical morphological models has improved significantly from the early 2D uniform, total load sediment models (with steady state or infrequent wave updates) to recent 3D hydrodynamic models with multiple suspended and bed load sediment fractions and bed stratigraphy (online coupled with waves). Although there remain many open questions within this combined field of hydro- and morphodynamics, we observe an increasing need to include biological processes in the overall dynamics. In riverine and inter-tidal environments, there is often an important influence by riparian vegetation and macrobenthos. Over the past decade more and more researchers have started to extend the simulation environment with wrapper scripts and other quick code hacks to estimate their influence on morphological development in coastal, estuarine and riverine environments. Although one can in this way quickly analyze different approaches, these research tools have generally not been designed with reuse, performance and portability in mind. We have now implemented a reusable, flexible, and efficient two-way link between the Delft3D open source framework for hydrodynamics, waves and morphology, and the water quality and ecology modules. The same link will be used for 1D, 2D and 3D modeling on networks and both structured and unstructured grids. We will describe the concepts of the overall system, and illustrate it with some first results.

  18. Robust hashing for 3D models

    NASA Astrophysics Data System (ADS)

    Berchtold, Waldemar; Schäfer, Marcel; Rettig, Michael; Steinebach, Martin

    2014-02-01

    3D models and applications are of utmost interest in both science and industry. With the increment of their usage, their number and thereby the challenge to correctly identify them increases. Content identification is commonly done by cryptographic hashes. However, they fail as a solution in application scenarios such as computer aided design (CAD), scientific visualization or video games, because even the smallest alteration of the 3D model, e.g. conversion or compression operations, massively changes the cryptographic hash as well. Therefore, this work presents a robust hashing algorithm for 3D mesh data. The algorithm applies several different bit extraction methods. They are built to resist desired alterations of the model as well as malicious attacks intending to prevent correct allocation. The different bit extraction methods are tested against each other and, as far as possible, the hashing algorithm is compared to the state of the art. The parameters tested are robustness, security and runtime performance as well as False Acceptance Rate (FAR) and False Rejection Rate (FRR), also the probability calculation of hash collision is included. The introduced hashing algorithm is kept adaptive e.g. in hash length, to serve as a proper tool for all applications in practice.

  19. 3-D textile reinforcements in composite materials

    SciTech Connect

    Miravete, A.

    1999-11-01

    Laminated composite materials have been used in structural applications since the 1960s. However, their high cost and inability to accommodate fibers in the laminate`s thickness direction greatly reduce their damage tolerance and impact resistance. The second generation of materials--3-D textile reinforced composites--offers significant cost reduction, and by incorporating reinforcement in the thickness direction, dramatically increases damage tolerance and impact resistance. However, methods for predicting mechanical properties of 3-D textile reinforced composite materials tend to be more complex. These materials also have disadvantages--particularly in regard to crimps in the yarns--that require more research. Textile preforms, micro- and macromechanical modeling, manufacturing processes, and characterization all need further development. As researchers overcome these problems, this new generation of composites will emerge as a highly competitive family of materials. This book provides a state-of-the-art account of this promising technology. In it, top experts describe the manufacturing processes, highlight the advantages, identify the main applications, analyze methods for predicting mechanical properties, and detail various reinforcement strategies, including grid structure, knitted fabric composites, and the braiding technique. Armed with the information in this book, readers will be prepared to better exploit the advantages of 3-D textile reinforced composites, overcome its disadvantages, and contribute to the further development of the technology.

  20. Positional Awareness Map 3D (PAM3D)

    NASA Technical Reports Server (NTRS)

    Hoffman, Monica; Allen, Earl L.; Yount, John W.; Norcross, April Louise

    2012-01-01

    The Western Aeronautical Test Range of the National Aeronautics and Space Administration s Dryden Flight Research Center needed to address the aging software and hardware of its current situational awareness display application, the Global Real-Time Interactive Map (GRIM). GRIM was initially developed in the late 1980s and executes on older PC architectures using a Linux operating system that is no longer supported. Additionally, the software is difficult to maintain due to its complexity and loss of developer knowledge. It was decided that a replacement application must be developed or acquired in the near future. The replacement must provide the functionality of the original system, the ability to monitor test flight vehicles in real-time, and add improvements such as high resolution imagery and true 3-dimensional capability. This paper will discuss the process of determining the best approach to replace GRIM, and the functionality and capabilities of the first release of the Positional Awareness Map 3D.

  1. New portable FELIX 3D display

    NASA Astrophysics Data System (ADS)

    Langhans, Knut; Bezecny, Daniel; Homann, Dennis; Bahr, Detlef; Vogt, Carsten; Blohm, Christian; Scharschmidt, Karl-Heinz

    1998-04-01

    An improved generation of our 'FELIX 3D Display' is presented. This system is compact, light, modular and easy to transport. The created volumetric images consist of many voxels, which are generated in a half-sphere display volume. In that way a spatial object can be displayed occupying a physical space with height, width and depth. The new FELIX generation uses a screen rotating with 20 revolutions per second. This target screen is mounted by an easy to change mechanism making it possible to use appropriate screens for the specific purpose of the display. An acousto-optic deflection unit with an integrated small diode pumped laser draws the images on the spinning screen. Images can consist of up to 10,000 voxels at a refresh rate of 20 Hz. Currently two different hardware systems are investigated. The first one is based on a standard PCMCIA digital/analog converter card as an interface and is controlled by a notebook. The developed software is provided with a graphical user interface enabling several animation features. The second, new prototype is designed to display images created by standard CAD applications. It includes the development of a new high speed hardware interface suitable for state-of-the- art fast and high resolution scanning devices, which require high data rates. A true 3D volume display as described will complement the broad range of 3D visualization tools, such as volume rendering packages, stereoscopic and virtual reality techniques, which have become widely available in recent years. Potential applications for the FELIX 3D display include imaging in the field so fair traffic control, medical imaging, computer aided design, science as well as entertainment.

  2. 3D Printable Graphene Composite

    NASA Astrophysics Data System (ADS)

    Wei, Xiaojun; Li, Dong; Jiang, Wei; Gu, Zheming; Wang, Xiaojuan; Zhang, Zengxing; Sun, Zhengzong

    2015-07-01

    In human being’s history, both the Iron Age and Silicon Age thrived after a matured massive processing technology was developed. Graphene is the most recent superior material which could potentially initialize another new material Age. However, while being exploited to its full extent, conventional processing methods fail to provide a link to today’s personalization tide. New technology should be ushered in. Three-dimensional (3D) printing fills the missing linkage between graphene materials and the digital mainstream. Their alliance could generate additional stream to push the graphene revolution into a new phase. Here we demonstrate for the first time, a graphene composite, with a graphene loading up to 5.6 wt%, can be 3D printable into computer-designed models. The composite’s linear thermal coefficient is below 75 ppm·°C-1 from room temperature to its glass transition temperature (Tg), which is crucial to build minute thermal stress during the printing process.

  3. 3D acoustic atmospheric tomography

    NASA Astrophysics Data System (ADS)

    Rogers, Kevin; Finn, Anthony

    2014-10-01

    This paper presents a method for tomographically reconstructing spatially varying 3D atmospheric temperature profiles and wind velocity fields based. Measurements of the acoustic signature measured onboard a small Unmanned Aerial Vehicle (UAV) are compared to ground-based observations of the same signals. The frequency-shifted signal variations are then used to estimate the acoustic propagation delay between the UAV and the ground microphones, which are also affected by atmospheric temperature and wind speed vectors along each sound ray path. The wind and temperature profiles are modelled as the weighted sum of Radial Basis Functions (RBFs), which also allow local meteorological measurements made at the UAV and ground receivers to supplement any acoustic observations. Tomography is used to provide a full 3D reconstruction/visualisation of the observed atmosphere. The technique offers observational mobility under direct user control and the capacity to monitor hazardous atmospheric environments, otherwise not justifiable on the basis of cost or risk. This paper summarises the tomographic technique and reports on the results of simulations and initial field trials. The technique has practical applications for atmospheric research, sound propagation studies, boundary layer meteorology, air pollution measurements, analysis of wind shear, and wind farm surveys.

  4. 3D Printed Bionic Ears

    PubMed Central

    Mannoor, Manu S.; Jiang, Ziwen; James, Teena; Kong, Yong Lin; Malatesta, Karen A.; Soboyejo, Winston O.; Verma, Naveen; Gracias, David H.; McAlpine, Michael C.

    2013-01-01

    The ability to three-dimensionally interweave biological tissue with functional electronics could enable the creation of bionic organs possessing enhanced functionalities over their human counterparts. Conventional electronic devices are inherently two-dimensional, preventing seamless multidimensional integration with synthetic biology, as the processes and materials are very different. Here, we present a novel strategy for overcoming these difficulties via additive manufacturing of biological cells with structural and nanoparticle derived electronic elements. As a proof of concept, we generated a bionic ear via 3D printing of a cell-seeded hydrogel matrix in the precise anatomic geometry of a human ear, along with an intertwined conducting polymer consisting of infused silver nanoparticles. This allowed for in vitro culturing of cartilage tissue around an inductive coil antenna in the ear, which subsequently enables readout of inductively-coupled signals from cochlea-shaped electrodes. The printed ear exhibits enhanced auditory sensing for radio frequency reception, and complementary left and right ears can listen to stereo audio music. Overall, our approach suggests a means to intricately merge biologic and nanoelectronic functionalities via 3D printing. PMID:23635097

  5. 3-D Relativistic MHD Simulations

    NASA Astrophysics Data System (ADS)

    Nishikaw, K.-I.; Frank, J.; Christodoulou, D. M.; Koide, S.; Sakai, J.-I.; Sol, H.; Mutel, R. L.

    1998-12-01

    We present 3-D numerical simulations of moderately hot, supersonic jets propagating initially along or obliquely to the field lines of a denser magnetized background medium with Lorentz factors of W=4.56 and evolving in a four-dimensional spacetime. The new results are understood as follows: Relativistic simulations have consistently shown that these jets are effectively heavy and so they do not suffer substantial momentum losses and are not decelerated as efficiently as their nonrelativistic counterparts. In addition, the ambient magnetic field, however strong, can be pushed aside with relative ease by the beam, provided that the degrees of freedom associated with all three spatial dimensions are followed self-consistently in the simulations. This effect is analogous to pushing Japanese ``noren'' or vertical Venetian blinds out of the way while the slats are allowed to bend in 3-D space rather than as a 2-D slab structure. We also simulate jets with the more realistic initial conditions for injecting jets for helical mangetic field, perturbed density, velocity, and internal energy, which are supposed to be caused in the process of jet generation. Three possible explanations for the observed variability are (i) tidal disruption of a star falling into the black hole, (ii) instabilities in the relativistic accretion disk, and (iii) jet-related PRocesses. New results will be reported at the meeting.

  6. 3D printed bionic ears.

    PubMed

    Mannoor, Manu S; Jiang, Ziwen; James, Teena; Kong, Yong Lin; Malatesta, Karen A; Soboyejo, Winston O; Verma, Naveen; Gracias, David H; McAlpine, Michael C

    2013-06-12

    The ability to three-dimensionally interweave biological tissue with functional electronics could enable the creation of bionic organs possessing enhanced functionalities over their human counterparts. Conventional electronic devices are inherently two-dimensional, preventing seamless multidimensional integration with synthetic biology, as the processes and materials are very different. Here, we present a novel strategy for overcoming these difficulties via additive manufacturing of biological cells with structural and nanoparticle derived electronic elements. As a proof of concept, we generated a bionic ear via 3D printing of a cell-seeded hydrogel matrix in the anatomic geometry of a human ear, along with an intertwined conducting polymer consisting of infused silver nanoparticles. This allowed for in vitro culturing of cartilage tissue around an inductive coil antenna in the ear, which subsequently enables readout of inductively-coupled signals from cochlea-shaped electrodes. The printed ear exhibits enhanced auditory sensing for radio frequency reception, and complementary left and right ears can listen to stereo audio music. Overall, our approach suggests a means to intricately merge biologic and nanoelectronic functionalities via 3D printing. PMID:23635097

  7. 3D Printable Graphene Composite

    PubMed Central

    Wei, Xiaojun; Li, Dong; Jiang, Wei; Gu, Zheming; Wang, Xiaojuan; Zhang, Zengxing; Sun, Zhengzong

    2015-01-01

    In human being’s history, both the Iron Age and Silicon Age thrived after a matured massive processing technology was developed. Graphene is the most recent superior material which could potentially initialize another new material Age. However, while being exploited to its full extent, conventional processing methods fail to provide a link to today’s personalization tide. New technology should be ushered in. Three-dimensional (3D) printing fills the missing linkage between graphene materials and the digital mainstream. Their alliance could generate additional stream to push the graphene revolution into a new phase. Here we demonstrate for the first time, a graphene composite, with a graphene loading up to 5.6 wt%, can be 3D printable into computer-designed models. The composite’s linear thermal coefficient is below 75 ppm·°C−1 from room temperature to its glass transition temperature (Tg), which is crucial to build minute thermal stress during the printing process. PMID:26153673

  8. 3D medical thermography device

    NASA Astrophysics Data System (ADS)

    Moghadam, Peyman

    2015-05-01

    In this paper, a novel handheld 3D medical thermography system is introduced. The proposed system consists of a thermal-infrared camera, a color camera and a depth camera rigidly attached in close proximity and mounted on an ergonomic handle. As a practitioner holding the device smoothly moves it around the human body parts, the proposed system generates and builds up a precise 3D thermogram model by incorporating information from each new measurement in real-time. The data is acquired in motion, thus it provides multiple points of view. When processed, these multiple points of view are adaptively combined by taking into account the reliability of each individual measurement which can vary due to a variety of factors such as angle of incidence, distance between the device and the subject and environmental sensor data or other factors influencing a confidence of the thermal-infrared data when captured. Finally, several case studies are presented to support the usability and performance of the proposed system.

  9. 3D Ion Temperature Reconstruction

    NASA Astrophysics Data System (ADS)

    Tanabe, Hiroshi; You, Setthivoine; Balandin, Alexander; Inomoto, Michiaki; Ono, Yasushi

    2009-11-01

    The TS-4 experiment at the University of Tokyo collides two spheromaks to form a single high-beta compact toroid. Magnetic reconnection during the merging process heats and accelerates the plasma in toroidal and poloidal directions. The reconnection region has a complex 3D topology determined by the pitch of the spheromak magnetic fields at the merging plane. A pair of multichord passive spectroscopic diagnostics have been established to measure the ion temperature and velocity in the reconnection volume. One setup measures spectral lines across a poloidal plane, retrieving velocity and temperature from Abel inversion. The other, novel setup records spectral lines across another section of the plasma and reconstructs velocity and temperature from 3D vector and 2D scalar tomography techniques. The magnetic field linking both measurement planes is determined from in situ magnetic probe arrays. The ion temperature is then estimated within the volume between the two measurement planes and at the reconnection region. The measurement is followed over several repeatable discharges to follow the heating and acceleration process during the merging reconnection.

  10. LOTT RANCH 3D PROJECT

    SciTech Connect

    Larry Lawrence; Bruce Miller

    2004-09-01

    The Lott Ranch 3D seismic prospect located in Garza County, Texas is a project initiated in September of 1991 by the J.M. Huber Corp., a petroleum exploration and production company. By today's standards the 126 square mile project does not seem monumental, however at the time it was conceived it was the most intensive land 3D project ever attempted. Acquisition began in September of 1991 utilizing GEO-SEISMIC, INC., a seismic data contractor. The field parameters were selected by J.M. Huber, and were of a radical design. The recording instruments used were GeoCor IV amplifiers designed by Geosystems Inc., which record the data in signed bit format. It would not have been practical, if not impossible, to have processed the entire raw volume with the tools available at that time. The end result was a dataset that was thought to have little utility due to difficulties in processing the field data. In 1997, Yates Energy Corp. located in Roswell, New Mexico, formed a partnership to further develop the project. Through discussions and meetings with Pinnacle Seismic, it was determined that the original Lott Ranch 3D volume could be vastly improved upon reprocessing. Pinnacle Seismic had shown the viability of improving field-summed signed bit data on smaller 2D and 3D projects. Yates contracted Pinnacle Seismic Ltd. to perform the reprocessing. This project was initiated with high resolution being a priority. Much of the potential resolution was lost through the initial summing of the field data. Modern computers that are now being utilized have tremendous speed and storage capacities that were cost prohibitive when this data was initially processed. Software updates and capabilities offer a variety of quality control and statics resolution, which are pertinent to the Lott Ranch project. The reprocessing effort was very successful. The resulting processed data-set was then interpreted using modern PC-based interpretation and mapping software. Production data, log data

  11. Valence band anticrossing in GaBixAs1-x

    SciTech Connect

    Alberi, K.; Dubon, O. D.; Walukiewicz, W.; Yu, K. M.; Bertulis, K.; Krotkus, A.

    2007-07-11

    The optical properties of GaBixAs1-x (0.04< x< 0.08) grown by molecular beam epitaxy have been studied by photomodulated reflectance spectroscopy. The alloys exhibit a strong reduction in the bandgap as well as an increase in the spin-orbit splitting energy with increasing Bi concentration. These observations are explained by a valence band anticrossing model, which shows that a restructuring of the valence band occurs as the result of an anticrossing interaction between the extended states of the GaAs valence band and the resonant T2 states of the Bi atoms.

  12. Valence band anticrossing in GaBixAs1-x

    NASA Astrophysics Data System (ADS)

    Alberi, K.; Dubon, O. D.; Walukiewicz, W.; Yu, K. M.; Bertulis, K.; Krotkus, A.

    2007-07-01

    The optical properties of GaBixAs1-x(0.04valence band anticrossing model, which shows that a restructuring of the valence band occurs as the result of an anticrossing interaction between the extended states of the GaAs valence band and the resonant T2 states of the Bi atoms.

  13. Registration of 3D spectral OCT volumes using 3D SIFT feature point matching

    NASA Astrophysics Data System (ADS)

    Niemeijer, Meindert; Garvin, Mona K.; Lee, Kyungmoo; van Ginneken, Bram; Abràmoff, Michael D.; Sonka, Milan

    2009-02-01

    The recent introduction of next generation spectral OCT scanners has enabled routine acquisition of high resolution, 3D cross-sectional volumetric images of the retina. 3D OCT is used in the detection and management of serious eye diseases such as glaucoma and age-related macular degeneration. For follow-up studies, image registration is a vital tool to enable more precise, quantitative comparison of disease states. This work presents a registration method based on a recently introduced extension of the 2D Scale-Invariant Feature Transform (SIFT) framework1 to 3D.2 The SIFT feature extractor locates minima and maxima in the difference of Gaussian scale space to find salient feature points. It then uses histograms of the local gradient directions around each found extremum in 3D to characterize them in a 4096 element feature vector. Matching points are found by comparing the distance between feature vectors. We apply this method to the rigid registration of optic nerve head- (ONH) and macula-centered 3D OCT scans of the same patient that have only limited overlap. Three OCT data set pairs with known deformation were used for quantitative assessment of the method's robustness and accuracy when deformations of rotation and scaling were considered. Three-dimensional registration accuracy of 2.0+/-3.3 voxels was observed. The accuracy was assessed as average voxel distance error in N=1572 matched locations. The registration method was applied to 12 3D OCT scans (200 x 200 x 1024 voxels) of 6 normal eyes imaged in vivo to demonstrate the clinical utility and robustness of the method in a real-world environment.

  14. Amazing Space: Explanations, Investigations, & 3D Visualizations

    NASA Astrophysics Data System (ADS)

    Summers, Frank

    2011-05-01

    The Amazing Space website is STScI's online resource for communicating Hubble discoveries and other astronomical wonders to students and teachers everywhere. Our team has developed a broad suite of materials, readings, activities, and visuals that are not only engaging and exciting, but also standards-based and fully supported so that they can be easily used within state and national curricula. These products include stunning imagery, grade-level readings, trading card games, online interactives, and scientific visualizations. We are currently exploring the potential use of stereo 3D in astronomy education.

  15. 3D Printing of Graphene Aerogels.

    PubMed

    Zhang, Qiangqiang; Zhang, Feng; Medarametla, Sai Pradeep; Li, Hui; Zhou, Chi; Lin, Dong

    2016-04-01

    3D printing of a graphene aerogel with true 3D overhang structures is highlighted. The aerogel is fabricated by combining drop-on-demand 3D printing and freeze casting. The water-based GO ink is ejected and freeze-cast into designed 3D structures. The lightweight (<10 mg cm(-3) ) 3D printed graphene aerogel presents superelastic and high electrical conduction. PMID:26861680

  16. 3D ladar ATR based on recognition by parts

    NASA Astrophysics Data System (ADS)

    Sobel, Erik; Douglas, Joel; Ettinger, Gil

    2003-09-01

    LADAR imaging is unique in its potential to accurately measure the 3D surface geometry of targets. We exploit this 3D geometry to perform automatic target recognition on targets in the domain of military and civilian ground vehicles. Here we present a robust model based 3D LADAR ATR system which efficiently searches through target hypothesis space by reasoning hierarchically from vehicle parts up to identification of a whole vehicle with specific pose and articulation state. The LADAR data consists of one or more 3D point clouds generated by laser returns from ground vehicles viewed from multiple sensor locations. The key to this approach is an automated 3D registration process to precisely align and match multiple data views to model based predictions of observed LADAR data. We accomplish this registration using robust 3D surface alignment techniques which we have also used successfully in 3D medical image analysis applications. The registration routine seeks to minimize a robust 3D surface distance metric to recover the best six-degree-of-freedom pose and fit. We process the observed LADAR data by first extracting salient parts, matching these parts to model based predictions and hierarchically constructing and testing increasingly detailed hypotheses about the identity of the observed target. This cycle of prediction, extraction, and matching efficiently partitions the target hypothesis space based on the distinctive anatomy of the target models and achieves effective recognition by progressing logically from a target's constituent parts up to its complete pose and articulation state.

  17. R3D Align web server for global nucleotide to nucleotide alignments of RNA 3D structures.

    PubMed

    Rahrig, Ryan R; Petrov, Anton I; Leontis, Neocles B; Zirbel, Craig L

    2013-07-01

    The R3D Align web server provides online access to 'RNA 3D Align' (R3D Align), a method for producing accurate nucleotide-level structural alignments of RNA 3D structures. The web server provides a streamlined and intuitive interface, input data validation and output that is more extensive and easier to read and interpret than related servers. The R3D Align web server offers a unique Gallery of Featured Alignments, providing immediate access to pre-computed alignments of large RNA 3D structures, including all ribosomal RNAs, as well as guidance on effective use of the server and interpretation of the output. By accessing the non-redundant lists of RNA 3D structures provided by the Bowling Green State University RNA group, R3D Align connects users to structure files in the same equivalence class and the best-modeled representative structure from each group. The R3D Align web server is freely accessible at http://rna.bgsu.edu/r3dalign/. PMID:23716643

  18. R3D Align web server for global nucleotide to nucleotide alignments of RNA 3D structures

    PubMed Central

    Rahrig, Ryan R.; Petrov, Anton I.; Leontis, Neocles B.; Zirbel, Craig L.

    2013-01-01

    The R3D Align web server provides online access to ‘RNA 3D Align’ (R3D Align), a method for producing accurate nucleotide-level structural alignments of RNA 3D structures. The web server provides a streamlined and intuitive interface, input data validation and output that is more extensive and easier to read and interpret than related servers. The R3D Align web server offers a unique Gallery of Featured Alignments, providing immediate access to pre-computed alignments of large RNA 3D structures, including all ribosomal RNAs, as well as guidance on effective use of the server and interpretation of the output. By accessing the non-redundant lists of RNA 3D structures provided by the Bowling Green State University RNA group, R3D Align connects users to structure files in the same equivalence class and the best-modeled representative structure from each group. The R3D Align web server is freely accessible at http://rna.bgsu.edu/r3dalign/. PMID:23716643

  19. ShowMe3D

    2012-01-05

    ShowMe3D is a data visualization graphical user interface specifically designed for use with hyperspectral image obtained from the Hyperspectral Confocal Microscope. The program allows the user to select and display any single image from a three dimensional hyperspectral image stack. By moving a slider control, the user can easily move between images of the stack. The user can zoom into any region of the image. The user can select any pixel or region from themore » displayed image and display the fluorescence spectrum associated with that pixel or region. The user can define up to 3 spectral filters to apply to the hyperspectral image and view the image as it would appear from a filter-based confocal microscope. The user can also obtain statistics such as intensity average and variance from selected regions.« less

  20. ShowMe3D

    SciTech Connect

    Sinclair, Michael B

    2012-01-05

    ShowMe3D is a data visualization graphical user interface specifically designed for use with hyperspectral image obtained from the Hyperspectral Confocal Microscope. The program allows the user to select and display any single image from a three dimensional hyperspectral image stack. By moving a slider control, the user can easily move between images of the stack. The user can zoom into any region of the image. The user can select any pixel or region from the displayed image and display the fluorescence spectrum associated with that pixel or region. The user can define up to 3 spectral filters to apply to the hyperspectral image and view the image as it would appear from a filter-based confocal microscope. The user can also obtain statistics such as intensity average and variance from selected regions.

  1. 3D Elastic Wavefield Tomography

    NASA Astrophysics Data System (ADS)

    Guasch, L.; Warner, M.; Stekl, I.; Umpleby, A.; Shah, N.

    2010-12-01

    Wavefield tomography, or waveform inversion, aims to extract the maximum information from seismic data by matching trace by trace the response of the solid earth to seismic waves using numerical modelling tools. Its first formulation dates from the early 80's, when Albert Tarantola developed a solid theoretical basis that is still used today with little change. Due to computational limitations, the application of the method to 3D problems has been unaffordable until a few years ago, and then only under the acoustic approximation. Although acoustic wavefield tomography is widely used, a complete solution of the seismic inversion problem requires that we account properly for the physics of wave propagation, and so must include elastic effects. We have developed a 3D tomographic wavefield inversion code that incorporates the full elastic wave equation. The bottle neck of the different implementations is the forward modelling algorithm that generates the synthetic data to be compared with the field seismograms as well as the backpropagation of the residuals needed to form the direction update of the model parameters. Furthermore, one or two extra modelling runs are needed in order to calculate the step-length. Our approach uses a FD scheme explicit time-stepping by finite differences that are 4th order in space and 2nd order in time, which is a 3D version of the one developed by Jean Virieux in 1986. We chose the time domain because an explicit time scheme is much less demanding in terms of memory than its frequency domain analogue, although the discussion of wich domain is more efficient still remains open. We calculate the parameter gradients for Vp and Vs by correlating the normal and shear stress wavefields respectively. A straightforward application would lead to the storage of the wavefield at all grid points at each time-step. We tackled this problem using two different approaches. The first one makes better use of resources for small models of dimension equal

  2. Supernova Remnant in 3-D

    NASA Technical Reports Server (NTRS)

    2009-01-01

    wavelengths. Since the amount of the wavelength shift is related to the speed of motion, one can determine how fast the debris are moving in either direction. Because Cas A is the result of an explosion, the stellar debris is expanding radially outwards from the explosion center. Using simple geometry, the scientists were able to construct a 3-D model using all of this information. A program called 3-D Slicer modified for astronomical use by the Astronomical Medicine Project at Harvard University in Cambridge, Mass. was used to display and manipulate the 3-D model. Commercial software was then used to create the 3-D fly-through.

    The blue filaments defining the blast wave were not mapped using the Doppler effect because they emit a different kind of light synchrotron radiation that does not emit light at discrete wavelengths, but rather in a broad continuum. The blue filaments are only a representation of the actual filaments observed at the blast wave.

    This visualization shows that there are two main components to this supernova remnant: a spherical component in the outer parts of the remnant and a flattened (disk-like) component in the inner region. The spherical component consists of the outer layer of the star that exploded, probably made of helium and carbon. These layers drove a spherical blast wave into the diffuse gas surrounding the star. The flattened component that astronomers were unable to map into 3-D prior to these Spitzer observations consists of the inner layers of the star. It is made from various heavier elements, not all shown in the visualization, such as oxygen, neon, silicon, sulphur, argon and iron.

    High-velocity plumes, or jets, of this material are shooting out from the explosion in the plane of the disk-like component mentioned above. Plumes of silicon appear in the northeast and southwest, while those of iron are seen in the southeast and north. These jets were already known and Doppler velocity measurements have been made for these

  3. XMVB: a program for ab initio nonorthogonal valence bond computations.

    PubMed

    Song, Lingchun; Mo, Yirong; Zhang, Qianer; Wu, Wei

    2005-04-15

    An ab initio nonorthogonal valence bond program, called XMVB, is described in this article. The XMVB package uses Heitler-London-Slater-Pauling (HLSP) functions as state functions, and calculations can be performed with either all independent state functions for a molecule or preferably a few selected important state functions. Both our proposed paired-permanent-determinant approach and conventional Slater determinant expansion algorithm are implemented for the evaluation of the Hamiltonian and overlap matrix elements among VB functions. XMVB contains the capabilities of valence bond self-consistent field (VBSCF), breathing orbital valence bond (BOVB), and valence bond configuration interaction (VBCI) computations. The VB orbitals, used to construct VB functions, can be defined flexibly in the calculations depending on particular applications and focused problems, and they may be strictly localized, delocalized, or bonded-distorted (semidelocalized). The parallel version of XMVB based on MPI (Message Passing Interface) is also available. PMID:15704237

  4. Supernova Remnant in 3-D

    NASA Technical Reports Server (NTRS)

    2009-01-01

    wavelengths. Since the amount of the wavelength shift is related to the speed of motion, one can determine how fast the debris are moving in either direction. Because Cas A is the result of an explosion, the stellar debris is expanding radially outwards from the explosion center. Using simple geometry, the scientists were able to construct a 3-D model using all of this information. A program called 3-D Slicer modified for astronomical use by the Astronomical Medicine Project at Harvard University in Cambridge, Mass. was used to display and manipulate the 3-D model. Commercial software was then used to create the 3-D fly-through.

    The blue filaments defining the blast wave were not mapped using the Doppler effect because they emit a different kind of light synchrotron radiation that does not emit light at discrete wavelengths, but rather in a broad continuum. The blue filaments are only a representation of the actual filaments observed at the blast wave.

    This visualization shows that there are two main components to this supernova remnant: a spherical component in the outer parts of the remnant and a flattened (disk-like) component in the inner region. The spherical component consists of the outer layer of the star that exploded, probably made of helium and carbon. These layers drove a spherical blast wave into the diffuse gas surrounding the star. The flattened component that astronomers were unable to map into 3-D prior to these Spitzer observations consists of the inner layers of the star. It is made from various heavier elements, not all shown in the visualization, such as oxygen, neon, silicon, sulphur, argon and iron.

    High-velocity plumes, or jets, of this material are shooting out from the explosion in the plane of the disk-like component mentioned above. Plumes of silicon appear in the northeast and southwest, while those of iron are seen in the southeast and north. These jets were already known and Doppler velocity measurements have been made for these

  5. Valence and L-shell photoionization of Cl-like argon using R-matrix techniques

    NASA Astrophysics Data System (ADS)

    Tyndall, N. B.; Ramsbottom, C. A.; Ballance, C. P.; Hibbert, A.

    2016-02-01

    Photoionization cross-sections are obtained using the relativistic Dirac Atomic R-matrix Codes (DARC) for all valence and L-shell energy ranges between 27 and 270 eV. A total of 557 levels arising from the dominant configurations 3s23p4, 3s3p5, 3p6, 3s23p3[3d, 4s, 4p], 3p53d, 3s23p23d2, 3s3p43d, 3s3p33d2 and 2s22p53s23p5 have been included in the target wavefunction representation of the Ar III ion, including up to 4p in the orbital basis. We also performed a smaller Breit-Pauli (BP) calculation containing the lowest 124 levels. Direct comparisons are made with previous theoretical and experimental work for both valence shell and L-shell photoionization. Excellent agreement was found for transitions involving the 2Po initial state to all allowed final states for both calculations across a range of photon energies. A number of resonant states have been identified to help analyse and explain the nature of the spectra at photon energies between 250 and 270 eV.

  6. Distributed 3D Information Visualization - Towards Integration of the Dynamic 3D Graphics and Web Services

    NASA Astrophysics Data System (ADS)

    Vucinic, Dean; Deen, Danny; Oanta, Emil; Batarilo, Zvonimir; Lacor, Chris

    This paper focuses on visualization and manipulation of graphical content in distributed network environments. The developed graphical middleware and 3D desktop prototypes were specialized for situational awareness. This research was done in the LArge Scale COllaborative decision support Technology (LASCOT) project, which explored and combined software technologies to support human-centred decision support system for crisis management (earthquake, tsunami, flooding, airplane or oil-tanker incidents, chemical, radio-active or other pollutants spreading, etc.). The performed state-of-the-art review did not identify any publicly available large scale distributed application of this kind. Existing proprietary solutions rely on the conventional technologies and 2D representations. Our challenge was to apply the "latest" available technologies, such Java3D, X3D and SOAP, compatible with average computer graphics hardware. The selected technologies are integrated and we demonstrate: the flow of data, which originates from heterogeneous data sources; interoperability across different operating systems and 3D visual representations to enhance the end-users interactions.

  7. Micro-Valences: Perceiving Affective Valence in Everyday Objects

    PubMed Central

    Lebrecht, Sophie; Bar, Moshe; Barrett, Lisa Feldman; Tarr, Michael J.

    2012-01-01

    Perceiving the affective valence of objects influences how we think about and react to the world around us. Conversely, the speed and quality with which we visually recognize objects in a visual scene can vary dramatically depending on that scene’s affective content. Although typical visual scenes contain mostly “everyday” objects, the affect perception in visual objects has been studied using somewhat atypical stimuli with strong affective valences (e.g., guns or roses). Here we explore whether affective valence must be strong or overt to exert an effect on our visual perception. We conclude that everyday objects carry subtle affective valences – “micro-valences” – which are intrinsic to their perceptual representation. PMID:22529828

  8. 3D multiplexed immunoplasmonics microscopy

    NASA Astrophysics Data System (ADS)

    Bergeron, Éric; Patskovsky, Sergiy; Rioux, David; Meunier, Michel

    2016-07-01

    Selective labelling, identification and spatial distribution of cell surface biomarkers can provide important clinical information, such as distinction between healthy and diseased cells, evolution of a disease and selection of the optimal patient-specific treatment. Immunofluorescence is the gold standard for efficient detection of biomarkers expressed by cells. However, antibodies (Abs) conjugated to fluorescent dyes remain limited by their photobleaching, high sensitivity to the environment, low light intensity, and wide absorption and emission spectra. Immunoplasmonics is a novel microscopy method based on the visualization of Abs-functionalized plasmonic nanoparticles (fNPs) targeting cell surface biomarkers. Tunable fNPs should provide higher multiplexing capacity than immunofluorescence since NPs are photostable over time, strongly scatter light at their plasmon peak wavelengths and can be easily functionalized. In this article, we experimentally demonstrate accurate multiplexed detection based on the immunoplasmonics approach. First, we achieve the selective labelling of three targeted cell surface biomarkers (cluster of differentiation 44 (CD44), epidermal growth factor receptor (EGFR) and voltage-gated K+ channel subunit KV1.1) on human cancer CD44+ EGFR+ KV1.1+ MDA-MB-231 cells and reference CD44- EGFR- KV1.1+ 661W cells. The labelling efficiency with three stable specific immunoplasmonics labels (functionalized silver nanospheres (CD44-AgNSs), gold (Au) NSs (EGFR-AuNSs) and Au nanorods (KV1.1-AuNRs)) detected by reflected light microscopy (RLM) is similar to the one with immunofluorescence. Second, we introduce an improved method for 3D localization and spectral identification of fNPs based on fast z-scanning by RLM with three spectral filters corresponding to the plasmon peak wavelengths of the immunoplasmonics labels in the cellular environment (500 nm for 80 nm AgNSs, 580 nm for 100 nm AuNSs and 700 nm for 40 nm × 92 nm AuNRs). Third, the developed

  9. NIF Ignition Target 3D Point Design

    SciTech Connect

    Jones, O; Marinak, M; Milovich, J; Callahan, D

    2008-11-05

    We have developed an input file for running 3D NIF hohlraums that is optimized such that it can be run in 1-2 days on parallel computers. We have incorporated increasing levels of automation into the 3D input file: (1) Configuration controlled input files; (2) Common file for 2D and 3D, different types of capsules (symcap, etc.); and (3) Can obtain target dimensions, laser pulse, and diagnostics settings automatically from NIF Campaign Management Tool. Using 3D Hydra calculations to investigate different problems: (1) Intrinsic 3D asymmetry; (2) Tolerance to nonideal 3D effects (e.g. laser power balance, pointing errors); and (3) Synthetic diagnostics.

  10. 3D multiplexed immunoplasmonics microscopy.

    PubMed

    Bergeron, Éric; Patskovsky, Sergiy; Rioux, David; Meunier, Michel

    2016-07-21

    Selective labelling, identification and spatial distribution of cell surface biomarkers can provide important clinical information, such as distinction between healthy and diseased cells, evolution of a disease and selection of the optimal patient-specific treatment. Immunofluorescence is the gold standard for efficient detection of biomarkers expressed by cells. However, antibodies (Abs) conjugated to fluorescent dyes remain limited by their photobleaching, high sensitivity to the environment, low light intensity, and wide absorption and emission spectra. Immunoplasmonics is a novel microscopy method based on the visualization of Abs-functionalized plasmonic nanoparticles (fNPs) targeting cell surface biomarkers. Tunable fNPs should provide higher multiplexing capacity than immunofluorescence since NPs are photostable over time, strongly scatter light at their plasmon peak wavelengths and can be easily functionalized. In this article, we experimentally demonstrate accurate multiplexed detection based on the immunoplasmonics approach. First, we achieve the selective labelling of three targeted cell surface biomarkers (cluster of differentiation 44 (CD44), epidermal growth factor receptor (EGFR) and voltage-gated K(+) channel subunit KV1.1) on human cancer CD44(+) EGFR(+) KV1.1(+) MDA-MB-231 cells and reference CD44(-) EGFR(-) KV1.1(+) 661W cells. The labelling efficiency with three stable specific immunoplasmonics labels (functionalized silver nanospheres (CD44-AgNSs), gold (Au) NSs (EGFR-AuNSs) and Au nanorods (KV1.1-AuNRs)) detected by reflected light microscopy (RLM) is similar to the one with immunofluorescence. Second, we introduce an improved method for 3D localization and spectral identification of fNPs based on fast z-scanning by RLM with three spectral filters corresponding to the plasmon peak wavelengths of the immunoplasmonics labels in the cellular environment (500 nm for 80 nm AgNSs, 580 nm for 100 nm AuNSs and 700 nm for 40 nm × 92 nm AuNRs). Third

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

    PubMed

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

    2016-03-01

    We demonstrate that the action of physical pressure, chemical compression, or aliovalent substitution in ACo2As2 (A = Eu and Ca) has a general consequence of causing these antiferromagnetic materials to become ferromagnets. In all cases, the mixed valence triggered at the electropositive A site results in the increase of the Co 3d density of states at the Fermi level. Remarkably, the dramatic alteration of magnetic behavior results from the very minor (<0.15 electron) change in the population of the 3d orbitals. The mixed valence state of Eu observed in the high-pressure (HP) form of EuCo2As2 exhibits a remarkable stability, achieving the average oxidation state of +2.25 at 12.6 GPa. In the case of CaCo2As2, substituting even 10% of Eu or La into the Ca site causes ferromagnetic ordering of Co moments. Similar to HP-EuCo2As2, the itinerant 3d ferromagnetism emerges from electronic doping into the Co layer because of chemical compression of Eu sites in Ca0.9Eu0.1Co1.91As2 or direct electron doping in Ca0.85La0.15Co1.89As2. The results reported herein demonstrate the general possibility of amplifying minor localized electronic effects to achieve major changes in material's properties via involvement of strongly correlated electrons. PMID:26840063

  12. 3D Cell Culture Imaging with Digital Holographic Microscopy

    NASA Astrophysics Data System (ADS)

    Dimiduk, Thomas; Nyberg, Kendra; Almeda, Dariela; Koshelva, Ekaterina; McGorty, Ryan; Kaz, David; Gardel, Emily; Auguste, Debra; Manoharan, Vinothan

    2011-03-01

    Cells in higher organisms naturally exist in a three dimensional (3D) structure, a fact sometimes ignored by in vitro biological research. Confinement to a two dimensional culture imposes significant deviations from the native 3D state. One of the biggest obstacles to wider use of 3D cultures is the difficulty of 3D imaging. The confocal microscope, the dominant 3D imaging instrument, is expensive, bulky, and light-intensive; live cells can be observed for only a short time before they suffer photodamage. We present an alternative 3D imaging techinque, digital holographic microscopy, which can capture 3D information with axial resolution better than 2 μm in a 100 μm deep volume. Capturing a 3D image requires only a single camera exposure with a sub-millisecond laser pulse, allowing us to image cell cultures using five orders of magnitude less light energy than with confocal. This can be done with hardware costing ~ 1000. We use the instrument to image growth of MCF7 breast cancer cells and p. pastoras yeast. We acknowledge support from NSF GRFP.

  13. Yogi the rock - 3D

    NASA Technical Reports Server (NTRS)

    1997-01-01

    Yogi, a rock taller than rover Sojourner, is the subject of this image, taken in stereo by the deployed Imager for Mars Pathfinder (IMP) on Sol 3. 3D glasses are necessary to identify surface detail. The soil in the foreground has been the location of multiple soil mechanics experiments performed by Sojourner's cleated wheels. Pathfinder scientists were able to control the force inflicted on the soil beneath the rover's wheels, giving them insight into the soil's mechanical properties. The soil mechanics experiments were conducted after this image was taken.

    Mars Pathfinder is the second in NASA's Discovery program of low-cost spacecraft with highly focused science goals. The Jet Propulsion Laboratory, Pasadena, CA, developed and manages the Mars Pathfinder mission for NASA's Office of Space Science, Washington, D.C. JPL is an operating division of the California Institute of Technology (Caltech). The Imager for Mars Pathfinder (IMP) was developed by the University of Arizona Lunar and Planetary Laboratory under contract to JPL. Peter Smith is the Principal Investigator.

    Click below to see the left and right views individually. [figure removed for brevity, see original site] Left [figure removed for brevity, see original site] Right

  14. 3D ultrafast laser scanner

    NASA Astrophysics Data System (ADS)

    Mahjoubfar, A.; Goda, K.; Wang, C.; Fard, A.; Adam, J.; Gossett, D. R.; Ayazi, A.; Sollier, E.; Malik, O.; Chen, E.; Liu, Y.; Brown, R.; Sarkhosh, N.; Di Carlo, D.; Jalali, B.

    2013-03-01

    Laser scanners are essential for scientific research, manufacturing, defense, and medical practice. Unfortunately, often times the speed of conventional laser scanners (e.g., galvanometric mirrors and acousto-optic deflectors) falls short for many applications, resulting in motion blur and failure to capture fast transient information. Here, we present a novel type of laser scanner that offers roughly three orders of magnitude higher scan rates than conventional methods. Our laser scanner, which we refer to as the hybrid dispersion laser scanner, performs inertia-free laser scanning by dispersing a train of broadband pulses both temporally and spatially. More specifically, each broadband pulse is temporally processed by time stretch dispersive Fourier transform and further dispersed into space by one or more diffractive elements such as prisms and gratings. As a proof-of-principle demonstration, we perform 1D line scans at a record high scan rate of 91 MHz and 2D raster scans and 3D volumetric scans at an unprecedented scan rate of 105 kHz. The method holds promise for a broad range of scientific, industrial, and biomedical applications. To show the utility of our method, we demonstrate imaging, nanometer-resolved surface vibrometry, and high-precision flow cytometry with real-time throughput that conventional laser scanners cannot offer due to their low scan rates.

  15. Crowdsourcing Based 3d Modeling

    NASA Astrophysics Data System (ADS)

    Somogyi, A.; Barsi, A.; Molnar, B.; Lovas, T.

    2016-06-01

    Web-based photo albums that support organizing and viewing the users' images are widely used. These services provide a convenient solution for storing, editing and sharing images. In many cases, the users attach geotags to the images in order to enable using them e.g. in location based applications on social networks. Our paper discusses a procedure that collects open access images from a site frequently visited by tourists. Geotagged pictures showing the image of a sight or tourist attraction are selected and processed in photogrammetric processing software that produces the 3D model of the captured object. For the particular investigation we selected three attractions in Budapest. To assess the geometrical accuracy, we used laser scanner and DSLR as well as smart phone photography to derive reference values to enable verifying the spatial model obtained from the web-album images. The investigation shows how detailed and accurate models could be derived applying photogrammetric processing software, simply by using images of the community, without visiting the site.

  16. 3D multiplexed immunoplasmonics microscopy

    NASA Astrophysics Data System (ADS)

    Bergeron, Éric; Patskovsky, Sergiy; Rioux, David; Meunier, Michel

    2016-07-01

    Selective labelling, identification and spatial distribution of cell surface biomarkers can provide important clinical information, such as distinction between healthy and diseased cells, evolution of a disease and selection of the optimal patient-specific treatment. Immunofluorescence is the gold standard for efficient detection of biomarkers expressed by cells. However, antibodies (Abs) conjugated to fluorescent dyes remain limited by their photobleaching, high sensitivity to the environment, low light intensity, and wide absorption and emission spectra. Immunoplasmonics is a novel microscopy method based on the visualization of Abs-functionalized plasmonic nanoparticles (fNPs) targeting cell surface biomarkers. Tunable fNPs should provide higher multiplexing capacity than immunofluorescence since NPs are photostable over time, strongly scatter light at their plasmon peak wavelengths and can be easily functionalized. In this article, we experimentally demonstrate accurate multiplexed detection based on the immunoplasmonics approach. First, we achieve the selective labelling of three targeted cell surface biomarkers (cluster of differentiation 44 (CD44), epidermal growth factor receptor (EGFR) and voltage-gated K+ channel subunit KV1.1) on human cancer CD44+ EGFR+ KV1.1+ MDA-MB-231 cells and reference CD44- EGFR- KV1.1+ 661W cells. The labelling efficiency with three stable specific immunoplasmonics labels (functionalized silver nanospheres (CD44-AgNSs), gold (Au) NSs (EGFR-AuNSs) and Au nanorods (KV1.1-AuNRs)) detected by reflected light microscopy (RLM) is similar to the one with immunofluorescence. Second, we introduce an improved method for 3D localization and spectral identification of fNPs based on fast z-scanning by RLM with three spectral filters corresponding to the plasmon peak wavelengths of the immunoplasmonics labels in the cellular environment (500 nm for 80 nm AgNSs, 580 nm for 100 nm AuNSs and 700 nm for 40 nm × 92 nm AuNRs). Third, the developed

  17. Holography of 3D flat cosmological horizons.

    PubMed

    Bagchi, Arjun; Detournay, Stéphane; Fareghbal, Reza; Simón, Joan

    2013-04-01

    We provide a first derivation of the Bekenstein-Hawking entropy of 3D flat cosmological horizons in terms of the counting of states in a dual field theory. These horizons appear in the flat limit of nonextremal rotating Banados-Teitleboim-Zanelli black holes and are remnants of the inner horizons. They also satisfy the first law of thermodynamics. We study flat holography as a limit of AdS(3)/CFT(2) to semiclassically compute the density of states in the dual theory, which is given by a contraction of a 2D conformal field theory, exactly reproducing the bulk entropy in the limit of large charges. We comment on how the dual theory reproduces the bulk first law and how cosmological bulk excitations are matched with boundary quantum numbers. PMID:25166977

  18. 3D toroidal physics: Testing the boundaries of symmetry breakinga)

    NASA Astrophysics Data System (ADS)

    Spong, Donald A.

    2015-05-01

    Toroidal symmetry is an important concept for plasma confinement; it allows the existence of nested flux surface MHD equilibria and conserved invariants for particle motion. However, perfect symmetry is unachievable in realistic toroidal plasma devices. For example, tokamaks have toroidal ripple due to discrete field coils, optimized stellarators do not achieve exact quasi-symmetry, the plasma itself continually seeks lower energy states through helical 3D deformations, and reactors will likely have non-uniform distributions of ferritic steel near the plasma. Also, some level of designed-in 3D magnetic field structure is now anticipated for most concepts in order to provide the plasma control needed for a stable, steady-state fusion reactor. Such planned 3D field structures can take many forms, ranging from tokamaks with weak 3D edge localized mode suppression fields to stellarators with more dominant 3D field structures. This motivates the development of physics models that are applicable across the full range of 3D devices. Ultimately, the questions of how much symmetry breaking can be tolerated and how to optimize its design must be addressed for all fusion concepts. A closely coupled program of simulation, experimental validation, and design optimization is required to determine what forms and amplitudes of 3D shaping and symmetry breaking will be compatible with the requirements of future fusion reactors.

  19. 3D toroidal physics: Testing the boundaries of symmetry breaking

    SciTech Connect

    Spong, Donald A.

    2015-05-15

    Toroidal symmetry is an important concept for plasma confinement; it allows the existence of nested flux surface MHD equilibria and conserved invariants for particle motion. However, perfect symmetry is unachievable in realistic toroidal plasma devices. For example, tokamaks have toroidal ripple due to discrete field coils, optimized stellarators do not achieve exact quasi-symmetry, the plasma itself continually seeks lower energy states through helical 3D deformations, and reactors will likely have non-uniform distributions of ferritic steel near the plasma. Also, some level of designed-in 3D magnetic field structure is now anticipated for most concepts in order to provide the plasma control needed for a stable, steady-state fusion reactor. Such planned 3D field structures can take many forms, ranging from tokamaks with weak 3D edge localized mode suppression fields to stellarators with more dominant 3D field structures. This motivates the development of physics models that are applicable across the full range of 3D devices. Ultimately, the questions of how much symmetry breaking can be tolerated and how to optimize its design must be addressed for all fusion concepts. A closely coupled program of simulation, experimental validation, and design optimization is required to determine what forms and amplitudes of 3D shaping and symmetry breaking will be compatible with the requirements of future fusion reactors.

  20. Design of a Yellow-Emitting Phosphor with Enhanced Red Emission via Valence State-control for Warm White LEDs Application.

    PubMed

    Chen, Jian; Liu, Yangai; Mei, Lefu; Peng, Peng; Cheng, Qijin; Liu, Haikun

    2016-01-01

    The phosphor-converted warm W-LED have being rapidly developed due to the stringent requirements of general illumination. Here, we utilized a strategy to synergistically enhance the red region and emission intensity of novel Eu-activated yellow-emitting LaSiO2N phosphors. This was realized by predicting optimum crystal structure, and governing the concentration of doping ions as well as preparation temperature. By using these straight-forward methods, we were able to vary the valence to enhance the red region and improve the quantum efficiency of LaSiO2N phosphor. The warm W-LED lamp fabricated with this red region enhanced LaSiO2N:Eu phosphor exhibited high CRI (Ra = 86), suitable CCT (5783 K) and CIE chromaticity (0.33, 0.36), indicating this synergistically enhanced strategy could be used for design of yellow-emitting phosphor materials to obtain warm W-LEDs. PMID:27510501

  1. Design of a Yellow-Emitting Phosphor with Enhanced Red Emission via Valence State-control for Warm White LEDs Application

    PubMed Central

    Chen, Jian; Liu, Yangai; Mei, Lefu; Peng, Peng; Cheng, Qijin; Liu, Haikun

    2016-01-01

    The phosphor-converted warm W-LED have being rapidly developed due to the stringent requirements of general illumination. Here, we utilized a strategy to synergistically enhance the red region and emission intensity of novel Eu-activated yellow-emitting LaSiO2N phosphors. This was realized by predicting optimum crystal structure, and governing the concentration of doping ions as well as preparation temperature. By using these straight-forward methods, we were able to vary the valence to enhance the red region and improve the quantum efficiency of LaSiO2N phosphor. The warm W-LED lamp fabricated with this red region enhanced LaSiO2N:Eu phosphor exhibited high CRI (Ra = 86), suitable CCT (5783 K) and CIE chromaticity (0.33, 0.36), indicating this synergistically enhanced strategy could be used for design of yellow-emitting phosphor materials to obtain warm W-LEDs. PMID:27510501

  2. Effect of 3d-transition metal doping on the shielding behavior of barium borate glasses: a spectroscopic study.

    PubMed

    ElBatal, H A; Abdelghany, A M; Ghoneim, N A; ElBatal, F H

    2014-12-10

    UV-visible and FT infrared spectra were measured for prepared samples before and after gamma irradiation. Base undoped barium borate glass of the basic composition (BaO 40%-B2O3 60mol.%) reveals strong charge transfer UV absorption bands which are related to unavoidable trace iron impurities (Fe(3+)) within the chemical raw materials. 3d transition metal (TM)-doped glasses exhibit extra characteristic absorption bands due to each TM in its specific valence or coordinate state. The optical spectra show that TM ions favor generally the presence in the high valence or tetrahedral coordination state in barium borate host glass. Infrared absorption bands of all prepared glasses reveal the appearance of both triangular BO3 units and tetrahedral BO4 units within their characteristic vibrational modes and the TM-ions cause minor effects because of the low doping level introduced (0.2%). Gamma irradiation of the undoped barium borate glass increases the intensity of the UV absorption together with the generation of an induced broad visible band at about 580nm. These changes are correlated with suggested photochemical reactions of trace iron impurities together with the generation of positive hole center (BHC or OHC) within the visible region through generated electrons and positive holes during the irradiation process. PMID:24983922

  3. X-ray absorption investigation of the valence state and electronic structure of La{sub 1-x}Ca{sub x}CoO{sub 3-{delta}} in comparison with La{sub 1-x}Sr{sub x}CoO{sub 3-{delta}} and La{sub 1-x}Sr{sub x}FeO{sub 3-{delta}

    SciTech Connect

    Haas, O.; Ludwig, Chr.; Bergmann, U.; Singh, R.N.; Braun, A.; Graule, T.

    2011-12-15

    3d metal K-shell X-ray absorption spectra of perovskites with the composition La{sub 1-x}Ca{sub x}CoO{sub 3-{delta}} (x=0, 0.2, 0.4, 0.5, 0.6, 0.8), La{sub 1-x}Sr{sub x}CoO{sub 3-{delta}} (x=0, 0.1, 0.2, 0.3, 0.4, 0.5) and La{sub 1-x}Sr{sub x}FeO{sub 3-{delta}} (x=0, 0.2, 0.4, 0.5, 0.6, 0.8) are compared on the basis of pre-edges, white line features and extended fine structures. The measurements were performed at 300 K and for La{sub 1-x}Ca{sub x}CoO{sub 3-{delta}} also at temperatures as low as 10-20 K. Going to low-temperature the measurements indicate an increase in t{sub 2g}{sup Low-Asterisk} and a decrease in e{sub g}{sup Low-Asterisk} orbital occupancy, which is most accentuated in the LaCoO{sub 3} sample. Virtually no Co K-edge shift was observed for the La{sub 1-x}Ca{sub x}CoO{sub 3-{delta}} and La{sub 1-x}Sr{sub x}CoO{sub 3-{delta}} compounds and the Co-O distances are also not significantly reduced when La{sup 3+} is partially substituted by Ca{sup 2+} or Sr{sup 2+}. From the pre-edge features of these perovskites we are tended to conclude that the t{sub 2g}{sup Low-Asterisk} orbitals are less, and the e{sub g}{sup Low-Asterisk} orbitals are more occupied with increasing x in the Ca and Sr substituted compounds, whereas the total d-electron density is not changing. These results indicate that cobalt prefers a valence state of 3{sup +} in these Co perovskites. This could also be confirmed with iodometric titrations. The Fe perovskites behave differently. In contrast to the Co perovskites, for La{sub 1-x}Sr{sub x}FeO{sub 3-{delta}} perovskites the Fe K-edge is shifted, the pre-edge features intensity is increasing and the Fe-O bond length is decreasing with increasing x. The valence states of the iron in the La{sub 1-x}Sr{sub x}FeO{sub 3-{delta}} perovskites in fact increase as much as x increases. - Graphical abstract: Co K and Fe K pre-edge of La{sub 1-x}Ca{sub x}CoO{sub 3-{delta}} and La{sub 1-x}Sr{sub x}FeO{sub 3-{delta}} perovskites one of the

  4. 3D Printing the Complete CubeSat

    NASA Technical Reports Server (NTRS)

    Kief, Craig

    2015-01-01

    The 3D Printing the Complete CubeSat project is designed to advance the state-of-the-art in 3D printing for CubeSat applications. Printing in 3D has the potential to increase reliability, reduce design iteration time and provide greater design flexibility in the areas of radiation mitigation, communications, propulsion, and wiring, among others. This project is investigating the possibility of including propulsion systems into the design of printed CubeSat components. One such concept, an embedded micro pulsed plasma thruster (mPPT), could provide auxiliary reaction control propulsion for a spacecraft as a means to desaturate momentum wheels.

  5. Powder-based 3D printing for bone tissue engineering.

    PubMed

    Brunello, G; Sivolella, S; Meneghello, R; Ferroni, L; Gardin, C; Piattelli, A; Zavan, B; Bressan, E

    2016-01-01

    Bone tissue engineered 3-D constructs customized to patient-specific needs are emerging as attractive biomimetic scaffolds to enhance bone cell and tissue growth and differentiation. The article outlines the features of the most common additive manufacturing technologies (3D printing, stereolithography, fused deposition modeling, and selective laser sintering) used to fabricate bone tissue engineering scaffolds. It concentrates, in particular, on the current state of knowledge concerning powder-based 3D printing, including a description of the properties of powders and binder solutions, the critical phases of scaffold manufacturing, and its applications in bone tissue engineering. Clinical aspects and future applications are also discussed. PMID:27086202

  6. Anomalous temperature dependence in valence band spectra: A resonant photoemission study of layered perovskite Sr{sub 2}CoO{sub 4}

    SciTech Connect

    Pandey, Pankaj K.; Choudhary, R. J. Phase, D. M.

    2014-05-05

    Valence band spectra (VBS) and its modification across Curie temperature (T{sub C}) of Sr{sub 2}CoO{sub 4} thin film are studied using resonant photoemission spectroscopy. It is found that VBS mainly consists of hybridized states of Co-3d t{sub 2g}e{sub g} and O-2p; however, Co-3d e{sub g} states show its prominence only in the ferromagnetic temperature regime. Below T{sub C}, spectral weight transfer takes place anomalously from high binding energy (B.E.) region to low B.E. region, signifying the enhanced intermediate or low spin state Co{sup 4+} ions. It is suggested that spin-lattice coupling and many-body effects in Sr{sub 2}CoO{sub 4} derived from the strong electron correlations lead to such temperature dependence of VBS.

  7. Imaging a Sustainable Future in 3D

    NASA Astrophysics Data System (ADS)

    Schuhr, W.; Lee, J. D.; Kanngieser, E.

    2012-07-01

    It is the intention of this paper, to contribute to a sustainable future by providing objective object information based on 3D photography as well as promoting 3D photography not only for scientists, but also for amateurs. Due to the presentation of this article by CIPA Task Group 3 on "3D Photographs in Cultural Heritage", the presented samples are masterpieces of historic as well as of current 3D photography concentrating on cultural heritage. In addition to a report on exemplarily access to international archives of 3D photographs, samples for new 3D photographs taken with modern 3D cameras, as well as by means of a ground based high resolution XLITE staff camera and also 3D photographs taken from a captive balloon and the use of civil drone platforms are dealt with. To advise on optimum suited 3D methodology, as well as to catch new trends in 3D, an updated synoptic overview of the 3D visualization technology, even claiming completeness, has been carried out as a result of a systematic survey. In this respect, e.g., today's lasered crystals might be "early bird" products in 3D, which, due to lack in resolution, contrast and color, remember to the stage of the invention of photography.

  8. Teaching Geography with 3-D Visualization Technology

    ERIC Educational Resources Information Center

    Anthamatten, Peter; Ziegler, Susy S.

    2006-01-01

    Technology that helps students view images in three dimensions (3-D) can support a broad range of learning styles. "Geo-Wall systems" are visualization tools that allow scientists, teachers, and students to project stereographic images and view them in 3-D. We developed and presented 3-D visualization exercises in several undergraduate courses.…

  9. 3D Printing and Its Urologic Applications

    PubMed Central

    Soliman, Youssef; Feibus, Allison H; Baum, Neil

    2015-01-01

    3D printing is the development of 3D objects via an additive process in which successive layers of material are applied under computer control. This article discusses 3D printing, with an emphasis on its historical context and its potential use in the field of urology. PMID:26028997

  10. 3D Flow Visualization Using Texture Advection

    NASA Technical Reports Server (NTRS)

    Kao, David; Zhang, Bing; Kim, Kwansik; Pang, Alex; Moran, Pat (Technical Monitor)

    2001-01-01

    Texture advection is an effective tool for animating and investigating 2D flows. In this paper, we discuss how this technique can be extended to 3D flows. In particular, we examine the use of 3D and 4D textures on 3D synthetic and computational fluid dynamics flow fields.

  11. 3D Elastic Seismic Wave Propagation Code

    1998-09-23

    E3D is capable of simulating seismic wave propagation in a 3D heterogeneous earth. Seismic waves are initiated by earthquake, explosive, and/or other sources. These waves propagate through a 3D geologic model, and are simulated as synthetic seismograms or other graphical output.

  12. 3D Printing and Its Urologic Applications.

    PubMed

    Soliman, Youssef; Feibus, Allison H; Baum, Neil

    2015-01-01

    3D printing is the development of 3D objects via an additive process in which successive layers of material are applied under computer control. This article discusses 3D printing, with an emphasis on its historical context and its potential use in the field of urology. PMID:26028997

  13. Gaining control over rare earth valence fluctuations

    SciTech Connect

    Wohlleben, D.

    1987-05-31

    This paper briefly deals with the problem of narrow band materials. It addresses a new theoretical approach to the fluctuation of valence electrons in rare earth elements. It is believed that the phenomena of interest arize from an instability of the partially filled d or f shell of certain atoms when they are put into a metallic host. The theoretical models which dominate the scene work with two local d or f states on one hand and a structureless sea of free conduction electrons on the other. This procedure ignores at least half of the essential physics; the other held is kept alive in the term valence fluctuation. Basically, what the prevalent models ignore is that, in all these systems, the entire atoms as the source of the anomalies are being dealt with, not just their f shells. In other words, there is important structure in the sea of conduction electrons.

  14. Spin fluctuations in 3d paramagnetic metals

    NASA Astrophysics Data System (ADS)

    Wysocki, Aleksander; Kutepov, Andrey; Antropov, Vladimir

    Spin fluctuations (SFs) in 3d paramagnetic metals were investigated using the linear response formalism within the time dependent density functional theory. An efficient scheme of frequency integration using the Matsubara technique has been implemented and tested. The SFs spectrum in 3d paramagnets is analyzed in real and reciprocal spaces as a function of frequency and temperature. For all materials the SFs are characterized by the coexistence of low and high energy branches which originate from different regions of the Brillouin zone. The low-energy ones can be measured by neutron scattering experiments while the high-energy SFs appear to be more localized. Further, we studied the nature of square of fluctuating magnetic moment in these materials. This work was supported, in part, by the Critical Materials Institute, an Energy Innovation Hub funded by the U.S. Department of Energy (DOE), and by the Office of Basic Energy Science, Division of Materials Science and Engineering. The research was performed at Ames Laboratory, which is operated for the U.S. DOE by Iowa State University under contract # DE-AC02-07CH11358.

  15. Autofocused 3D classification of cryoelectron subtomograms.

    PubMed

    Chen, Yuxiang; Pfeffer, Stefan; Fernández, José Jesús; Sorzano, Carlos Oscar S; Förster, Friedrich

    2014-10-01

    Classification of subtomograms obtained by cryoelectron tomography (cryo-ET) is a powerful approach to study the conformational landscapes of macromolecular complexes in situ. Major challenges in subtomogram classification are the low signal-to-noise ratio (SNR) of cryo-tomograms, their incomplete angular sampling, the unknown number of classes and the typically unbalanced abundances of structurally distinct complexes. Here, we propose a clustering algorithm named AC3D that is based on a similarity measure, which automatically focuses on the areas of major structural discrepancy between respective subtomogram class averages. Furthermore, we incorporate a spherical-harmonics-based fast subtomogram alignment algorithm, which provides a significant speedup. Assessment of our approach on simulated data sets indicates substantially increased classification accuracy of the presented method compared to two state-of-the-art approaches. Application to experimental subtomograms depicting endoplasmic-reticulum-associated ribosomal particles shows that AC3D is well suited to deconvolute the compositional heterogeneity of macromolecular complexes in situ. PMID:25242455

  16. Odyssey over Martian Sunrise, 3-D

    NASA Technical Reports Server (NTRS)

    2003-01-01

    NASA's Mars Odyssey spacecraft passes above a portion of the planet that is rotating into the sunlight in this artist's concept illustration. This red-blue anaglyph artwork can be viewed in 3-D on your computer monitor or in color print form by wearing red-blue (cyan) 3-D glasses.

    The spacecraft has been orbiting Mars since October 24, 2001.

    NASA's Jet Propulsion Laboratory manages the Mars Odyssey mission for the NASA Office of Space Science, Washington, D.C. Investigators at Arizona State University in Tempe, the University of Arizona in Tucson, and NASA's Johnson Space Center, Houston, operate the science instruments. The gamma-ray spectrometer was provided by the University of Arizona in collaboration with the Russian Aviation and Space Agency and Institute for Space Research, which provided the high-energy neutron detector, and the Los Alamos National Laboratories, New Mexico, which provided the neutron spectrometer. Lockheed Martin Space Systems, Denver, is the prime contractor for the project, and developed and built the orbiter. Mission operations are conducted jointly from Lockheed Martin and from JPL, a division of the California Institute of Technology in Pasadena.

  17. Objective and subjective quality assessment of geometry compression of reconstructed 3D humans in a 3D virtual room

    NASA Astrophysics Data System (ADS)

    Mekuria, Rufael; Cesar, Pablo; Doumanis, Ioannis; Frisiello, Antonella

    2015-09-01

    Compression of 3D object based video is relevant for 3D Immersive applications. Nevertheless, the perceptual aspects of the degradation introduced by codecs for meshes and point clouds are not well understood. In this paper we evaluate the subjective and objective degradations introduced by such codecs in a state of art 3D immersive virtual room. In the 3D immersive virtual room, users are captured with multiple cameras, and their surfaces are reconstructed as photorealistic colored/textured 3D meshes or point clouds. To test the perceptual effect of compression and transmission, we render degraded versions with different frame rates in different contexts (near/far) in the scene. A quantitative subjective study with 16 users shows that negligible distortion of decoded surfaces compared to the original reconstructions can be achieved in the 3D virtual room. In addition, a qualitative task based analysis in a full prototype field trial shows increased presence, emotion, user and state recognition of the reconstructed 3D Human representation compared to animated computer avatars.

  18. 3D sensors and micro-fabricated detector systems

    NASA Astrophysics Data System (ADS)

    Da Vià, Cinzia

    2014-11-01

    Micro-systems based on the Micro Electro Mechanical Systems (MEMS) technology have been used in miniaturized low power and low mass smart structures in medicine, biology and space applications. Recently similar features found their way inside high energy physics with applications in vertex detectors for high-luminosity LHC Upgrades, with 3D sensors, 3D integration and efficient power management using silicon micro-channel cooling. This paper reports on the state of this development.

  19. Valence and ionic lowest-lying electronic states of ethyl formate as studied by high-resolution vacuum ultraviolet photoabsorption, He(I) photoelectron spectroscopy, and ab initio calculations

    SciTech Connect

    Śmiałek, M. A.; Duflot, D.; Mason, N. J.; Hoffmann, S. V.; Jones, N. C.; Limão-Vieira, P.

    2014-09-14

    The highest resolution vacuum ultraviolet photoabsorption spectrum of ethyl formate, C{sub 2}H{sub 5}OCHO, yet reported is presented over the wavelength range 115.0–275.5 nm (10.75–4.5 eV) revealing several new spectral features. Valence and Rydberg transitions and their associated vibronic series, observed in the photoabsorption spectrum, have been assigned in accordance with new ab initio calculations of the vertical excitation energies and oscillator strengths. Calculations have also been carried out to determine the ionization energies and fine structure of the lowest ionic state of ethyl formate and are compared with a newly recorded He(I) photoelectron spectrum (from 10.1 to 16.1 eV). New vibrational structure is observed in the first photoelectron band. The photoabsorption cross sections have been used to calculate the photolysis lifetime of ethyl formate in the upper stratosphere (20–50 km)

  20. Valence and ionic lowest-lying electronic states of ethyl formate as studied by high-resolution vacuum ultraviolet photoabsorption, He(I) photoelectron spectroscopy, and ab initio calculations.

    PubMed

    Śmiałek, M A; Łabuda, M; Guthmuller, J; Hubin-Franskin, M-J; Delwiche, J; Duflot, D; Mason, N J; Hoffmann, S V; Jones, N C; Limão-Vieira, P

    2014-09-14

    The highest resolution vacuum ultraviolet photoabsorption spectrum of ethyl formate, C2H5OCHO, yet reported is presented over the wavelength range 115.0-275.5 nm (10.75-4.5 eV) revealing several new spectral features. Valence and Rydberg transitions and their associated vibronic series, observed in the photoabsorption spectrum, have been assigned in accordance with new ab initio calculations of the vertical excitation energies and oscillator strengths. Calculations have also been carried out to determine the ionization energies and fine structure of the lowest ionic state of ethyl formate and are compared with a newly recorded He(I) photoelectron spectrum (from 10.1 to 16.1 eV). New vibrational structure is observed in the first photoelectron band. The photoabsorption cross sections have been used to calculate the photolysis lifetime of ethyl formate in the upper stratosphere (20-50 km). PMID:25217920

  1. 3-D Perspective Pasadena, California

    NASA Technical Reports Server (NTRS)

    2000-01-01

    This perspective view shows the western part of the city of Pasadena, California, looking north towards the San Gabriel Mountains. Portions of the cities of Altadena and La Canada, Flintridge are also shown. The image was created from three datasets: the Shuttle Radar Topography Mission (SRTM) supplied the elevation data; Landsat data from November 11, 1986 provided the land surface color (not the sky) and U.S. Geological Survey digital aerial photography provides the image detail. The Rose Bowl, surrounded by a golf course, is the circular feature at the bottom center of the image. The Jet Propulsion Laboratory is the cluster of large buildings north of the Rose Bowl at the base of the mountains. A large landfill, Scholl Canyon, is the smooth area in the lower left corner of the scene. This image shows the power of combining data from different sources to create planning tools to study problems that affect large urban areas. In addition to the well-known earthquake hazards, Southern California is affected by a natural cycle of fire and mudflows. Wildfires strip the mountains of vegetation, increasing the hazards from flooding and mudflows for several years afterwards. Data such as shown on this image can be used to predict both how wildfires will spread over the terrain and also how mudflows will be channeled down the canyons. The Shuttle Radar Topography Mission (SRTM), launched on February 11, 2000, uses the same radar instrument that comprised the Spaceborne Imaging Radar-C/X-Band Synthetic Aperture Radar (SIR-C/X-SAR) that flew twice on the Space Shuttle Endeavour in 1994. The mission was designed to collect three dimensional measurements of the Earth's surface. To collect the 3-D data, engineers added a 60-meter-long (200-foot) mast, an additional C-band imaging antenna and improved tracking and navigation devices. The mission is a cooperative project between the National Aeronautics and Space Administration (NASA), the National Imagery and Mapping Agency

  2. Near valence-band electronic properties of semiconducting β -Ga2O3 (100) single crystals

    NASA Astrophysics Data System (ADS)

    Navarro-Quezada, A.; Alamé, S.; Esser, N.; Furthmüller, J.; Bechstedt, F.; Galazka, Z.; Skuridina, D.; Vogt, P.

    2015-11-01

    β -Ga2O3 is a transparent wide-band-gap semiconductor that has attracted considerable interest in recent years due to its suitable electrical conductivity and transparency in the ultraviolet spectral region. In this work we investigate the electronic properties of the near valence-band-edge region for semiconducting β -Ga2O3 (100) bulk single crystals using core-level photoelectron spectroscopy and ab initio theory within the framework of density functional theory and the GW approach. We find good agreement between the experimental results and the theoretical calculations. This is explained by the hybridization of the Ga 3 d and O 2 s states, similar as for In2O3 .

  3. The Esri 3D city information model

    NASA Astrophysics Data System (ADS)

    Reitz, T.; Schubiger-Banz, S.

    2014-02-01

    With residential and commercial space becoming increasingly scarce, cities are going vertical. Managing the urban environments in 3D is an increasingly important and complex undertaking. To help solving this problem, Esri has released the ArcGIS for 3D Cities solution. The ArcGIS for 3D Cities solution provides the information model, tools and apps for creating, analyzing and maintaining a 3D city using the ArcGIS platform. This paper presents an overview of the 3D City Information Model and some sample use cases.

  4. Case study: Beauty and the Beast 3D: benefits of 3D viewing for 2D to 3D conversion

    NASA Astrophysics Data System (ADS)

    Handy Turner, Tara

    2010-02-01

    From the earliest stages of the Beauty and the Beast 3D conversion project, the advantages of accurate desk-side 3D viewing was evident. While designing and testing the 2D to 3D conversion process, the engineering team at Walt Disney Animation Studios proposed a 3D viewing configuration that not only allowed artists to "compose" stereoscopic 3D but also improved efficiency by allowing artists to instantly detect which image features were essential to the stereoscopic appeal of a shot and which features had minimal or even negative impact. At a time when few commercial 3D monitors were available and few software packages provided 3D desk-side output, the team designed their own prototype devices and collaborated with vendors to create a "3D composing" workstation. This paper outlines the display technologies explored, final choices made for Beauty and the Beast 3D, wish-lists for future development and a few rules of thumb for composing compelling 2D to 3D conversions.

  5. A Multidimensional Measure of Work Valences

    ERIC Educational Resources Information Center

    Porfeli, Erik J.; Lee, Bora; Weigold, Ingrid K.

    2012-01-01

    Work valence is derived from expectancy-valence theory and the literature on children's vocational development and is presumed to be a general appraisal of work that emerges during the childhood period. Work valence serves to promote and inhibit the motivation and tasks associated with vocational development. A measure of work valence, composed of…

  6. 3D laptop for defense applications

    NASA Astrophysics Data System (ADS)

    Edmondson, Richard; Chenault, David

    2012-06-01

    Polaris Sensor Technologies has developed numerous 3D display systems using a US Army patented approach. These displays have been developed as prototypes for handheld controllers for robotic systems and closed hatch driving, and as part of a TALON robot upgrade for 3D vision, providing depth perception for the operator for improved manipulation and hazard avoidance. In this paper we discuss the prototype rugged 3D laptop computer and its applications to defense missions. The prototype 3D laptop combines full temporal and spatial resolution display with the rugged Amrel laptop computer. The display is viewed through protective passive polarized eyewear, and allows combined 2D and 3D content. Uses include robot tele-operation with live 3D video or synthetically rendered scenery, mission planning and rehearsal, enhanced 3D data interpretation, and simulation.

  7. 3d-shell contribution to the energy loss of protons during grazing scattering from Cu(111) surfaces

    SciTech Connect

    Gravielle, M. S.; Alducin, M.; Juaristi, J. I.; Silkin, V. M.

    2007-10-15

    Motivated by a recent experimental work [S. Lederer and H. Winter, Phys. Rev. A 73, 054901 (2006)] we study the contribution of the 3d shell electrons to the energy loss of 100 keV protons scattered off from the Cu(111) surface. To describe this process we use a multiple collision formalism, where the interaction of the projectile with 3d electrons is described by means of a sequence of single encounters with atoms belonging to the first atomic layer. In order to compare the theoretical energy loss with the experimental data, we add the contribution of valence electrons, which is evaluated in linear response theory using a response function that incorporates information on the surface band structure. For completeness, the energy lost by protons is also calculated within a jellium model that includes 3d and valence electrons with equal footing. Fair agreement between theory and experiment exists when the 3d shell is taken into account in the calculation.

  8. Use of threshold electron and fluorescence coincidence techniques to probe the decay dynamics of the valence states of CF + 4, SiF + 4, SiCl + 4, and GeCl + 4

    NASA Astrophysics Data System (ADS)

    Smith, D. M.; Tuckett, R. P.; Yoxall, K. R.; Codling, K.; Hatherly, P. A.; Aarts, J. F. M.; Stankiewicz, M.

    1994-12-01

    Threshold photoelectron-photoion coincidence (TPEPICO), photoion-fluorescence coincidence (PIFCO), and threshold photoelectron-fluorescence coincidence (TPEFCO) spectroscopies have been used to measure, state selectively, the decay pathways of all the valence states of four gas-phase tetrahedral ion CF+4, SiF+4, SiCl+4, and GeCl+4 in the range 11-26 eV. Vacuum UV radiation from a synchrotron source dispersed by a 5 m normal-incidence McPherson monochromator ionizes the parent molecule, and electrons and ions are detected by threshold electron analysis and time-of-flight mass spectrometry, respectively. Undispersed fluorescence from the interaction region can also be detected, allowing the three different types of coincidence experiment to be performed. The optimum resolution of the monochromator is matched to that of the threshold analyzer, and this work improves on preliminary results using a 1 m Seya monochromator [Chem. Phys. 174, 441 and 453 (1993)] where the resolution of the spectra was limited by that of the optical source. TPEPICO spectra are recorded continuously as a function of photon energy, allowing both threshold photoelectron spectra and yields of all the fragment ions to be obtained. Kinetic energy releases can also be measured at fixed photon energies with good time resolution. PIFCO and TPEFCO spectra are recorded at fixed photon energies. The former experiment can yield the fate of the lower electronic state of the parent ion to which fluorescence occurs. The latter experiment yields the lifetime of the fluorescing state; with sufficient resolution of the photoionizing radiation, the lifetime is specific to one vibrational level of the emitting electronic state. For CF+4 and SiF+4 work has concentrated on the third and fourth excited states, C˜ 2T2 and D˜ 2A1, of which only the C˜ state of SiF+4 does not decay radiatively. Vibrationally state-selected fluorescence quantum yields and lifetimes have been measured for four levels of the C˜ state

  9. Tomographic system for 3D temperature reconstruction

    NASA Astrophysics Data System (ADS)

    Antos, Martin; Malina, Radomir

    2003-11-01

    The novel laboratory system for the optical tomography is used to obtain three-dimensional temperature field around a heated element. The Mach-Zehnder holographic interferometers with diffusive illumination of the phase object provide the possibility to scan of multidirectional holographic interferograms in the range of viewing angles from 0 deg to 108 deg. These interferograms form the input data for the computer tomography of the 3D distribution of the refractive index variation, which characterizes the physical state of the studied medium. The configuration of the system allows automatic projection scanning of the studied phase object. The computer calculates the wavefront deformation for each projection, making use of different methods of Fourier-transform and phase-sampling evaluations. The experimental set-up together with experimental results is presented.

  10. 3D Multigroup Sn Neutron Transport Code

    2001-02-14

    ATTILA is a 3D multigroup transport code with arbitrary order ansotropic scatter. The transport equation is solved in first order form using a tri-linear discontinuous spatial differencing on an arbitrary tetrahedral mesh. The overall solution technique is source iteration with DSA acceleration of the scattering source. Anisotropic boundary and internal sources may be entered in the form of spherical harmonics moments. Alpha and k eigenvalue problems are allowed, as well as fixed source problems. Forwardmore » and adjoint solutions are available. Reflective, vacumn, and source boundary conditions are available. ATTILA can perform charged particle transport calculations using slowing down (CSD) terms. ATTILA can also be used to peform infra-red steady-state calculations for radiative transfer purposes.« less

  11. Visualization of 3D optical lattices

    NASA Astrophysics Data System (ADS)

    Lee, Hoseong; Clemens, James

    2016-05-01

    We describe the visualization of 3D optical lattices based on Sisyphus cooling implemented with open source software. We plot the adiabatic light shift potentials found by diagonalizing the effective Hamiltonian for the light shift operator. Our program incorporates a variety of atomic ground state configurations with total angular momentum ranging from j = 1 / 2 to j = 4 and a variety of laser beam configurations including the two-beam lin ⊥ lin configuration, the four-beam umbrella configuration, and four beams propagating in two orthogonal planes. In addition to visualizing the lattice the program also evaluates lattice parameters such as the oscillation frequency for atoms trapped deep in the wells. The program is intended to help guide experimental implementations of optical lattices.

  12. 3D Multigroup Sn Neutron Transport Code

    SciTech Connect

    McGee, John; Wareing, Todd; Pautz, Shawn

    2001-02-14

    ATTILA is a 3D multigroup transport code with arbitrary order ansotropic scatter. The transport equation is solved in first order form using a tri-linear discontinuous spatial differencing on an arbitrary tetrahedral mesh. The overall solution technique is source iteration with DSA acceleration of the scattering source. Anisotropic boundary and internal sources may be entered in the form of spherical harmonics moments. Alpha and k eigenvalue problems are allowed, as well as fixed source problems. Forward and adjoint solutions are available. Reflective, vacumn, and source boundary conditions are available. ATTILA can perform charged particle transport calculations using slowing down (CSD) terms. ATTILA can also be used to peform infra-red steady-state calculations for radiative transfer purposes.

  13. RT3D tutorials for GMS users

    SciTech Connect

    Clement, T.P.; Jones, N.L.

    1998-02-01

    RT3D (Reactive Transport in 3-Dimensions) is a computer code that solves coupled partial differential equations that describe reactive-flow and transport of multiple mobile and/or immobile species in a three dimensional saturated porous media. RT3D was developed from the single-species transport code, MT3D (DoD-1.5, 1997 version). As with MT3D, RT3D also uses the USGS groundwater flow model MODFLOW for computing spatial and temporal variations in groundwater head distribution. This report presents a set of tutorial problems that are designed to illustrate how RT3D simulations can be performed within the Department of Defense Groundwater Modeling System (GMS). GMS serves as a pre- and post-processing interface for RT3D. GMS can be used to define all the input files needed by RT3D code, and later the code can be launched from within GMS and run as a separate application. Once the RT3D simulation is completed, the solution can be imported to GMS for graphical post-processing. RT3D v1.0 supports several reaction packages that can be used for simulating different types of reactive contaminants. Each of the tutorials, described below, provides training on a different RT3D reaction package. Each reaction package has different input requirements, and the tutorials are designed to describe these differences. Furthermore, the tutorials illustrate the various options available in GMS for graphical post-processing of RT3D results. Users are strongly encouraged to complete the tutorials before attempting to use RT3D and GMS on a routine basis.

  14. 3D unstructured mesh discontinuous finite element hydro

    SciTech Connect

    Prasad, M.K.; Kershaw, D.S.; Shaw, M.J.

    1995-07-01

    The authors present detailed features of the ICF3D hydrodynamics code used for inertial fusion simulations. This code is intended to be a state-of-the-art upgrade of the well-known fluid code, LASNEX. ICF3D employs discontinuous finite elements on a discrete unstructured mesh consisting of a variety of 3D polyhedra including tetrahedra, prisms, and hexahedra. The authors discussed details of how the ROE-averaged second-order convection was applied on the discrete elements, and how the C++ coding interface has helped to simplify implementing the many physics and numerics modules within the code package. The author emphasized the virtues of object-oriented design in large scale projects such as ICF3D.

  15. Direct Observation of the Fermi Arc Surface State in the Three-Dimensional Dirac Semimetal Na3Bi

    NASA Astrophysics Data System (ADS)

    Liang, Aiji; Wang, Zhijun; Chen, Chaoyu; Shi, Youguo; Yi, Hemian; Feng, Ya; Xie, Zhuojin; He, Shaolong; He, Junfeng; Peng, Yingying; Liu, Xu; Liu, Yan; Zhao, Lin; Liu, Guodong; Zhang, Jun; Nakatake, M.; Arita, M.; Shimada, K.; Namatame, H.; Taniguchi, M.; Xu, Zuyan; Chen, Chuangtian; Dai, Xi; Fang, Zhong; Zhou, Xingjiang

    2015-03-01

    The three dimensional (3D) Dirac semimetals have linearly dispersive 3D Dirac nodes where the conduction and valence bands connect to each other. Here we report the direct observation of the linearly dispersive 3D bulk Dirac points at the natural (001) cleaving surface of Na3Bi single crystal by high resolution ARPES. In addition, we have directly observed two separated 3D bulk Dirac nodes by elaborately cleaving Na3Bi samples at a non-natural-cleavage (100) crystalline surface. We further unveil the unusual Fermi-arc surface states connecting the two 3D Dirac nodes. At this unique (100) crystalline surface, the identification of the 3D Dirac semimetal state in Na3Bi paves the way for systematically exploring rich exotic topological physics such as topological insulator and Weyl semimetal state.

  16. Viewing the Valence Electronic Structure of Ferric and Ferrous Hexacyanide in Solution from the Fe and Cyanide Perspectives.

    PubMed

    Kunnus, Kristjan; Zhang, Wenkai; Delcey, Mickaël G; Pinjari, Rahul V; Miedema, Piter S; Schreck, Simon; Quevedo, Wilson; Schröder, Henning; Föhlisch, Alexander; Gaffney, Kelly J; Lundberg, Marcus; Odelius, Michael; Wernet, Philippe

    2016-07-28

    The valence-excited states of ferric and ferrous hexacyanide ions in aqueous solution were mapped by resonant inelastic X-ray scattering (RIXS) at the Fe L2,3 and N K edges. Probing of both the central Fe and the ligand N atoms enabled identification of the metal- and ligand-centered excited states, as well as ligand-to-metal and metal-to-ligand charge-transfer excited states. Ab initio calculations utilizing the RASPT2 method were used to simulate the Fe L2,3-edge RIXS spectra and enabled quantification of the covalencies of both occupied and empty orbitals of π and σ symmetry. We found that π back-donation in the ferric complex is smaller than that in the ferrous complex. This is evidenced by the relative amounts of Fe 3d character in the nominally 2π CN(-) molecular orbital of 7% and 9% in ferric and ferrous hexacyanide, respectively. Utilizing the direct sensitivity of Fe L3-edge RIXS to the Fe 3d character in the occupied molecular orbitals, we also found that the donation interactions are dominated by σ bonding. The latter was found to be stronger in the ferric complex, with an Fe 3d contribution to the nominally 5σ CN(-) molecular orbitals of 29% compared to 20% in the ferrous complex. These results are consistent with the notion that a higher charge at the central metal atom increases donation and decreases back-donation. PMID:27380541

  17. 3D Dynamic Echocardiography with a Digitizer

    NASA Astrophysics Data System (ADS)

    Oshiro, Osamu; Matani, Ayumu; Chihara, Kunihiro

    1998-05-01

    In this paper,a three-dimensional (3D) dynamic ultrasound (US) imaging system,where a US brightness-mode (B-mode) imagetriggered with an R-wave of electrocardiogram (ECG)was obtained with an ultrasound diagnostic deviceand the location and orientation of the US probewere simultaneously measured with a 3D digitizer, is described.The obtained B-mode imagewas then projected onto a virtual 3D spacewith the proposed interpolation algorithm using a Gaussian operator.Furthermore, a 3D image was presented on a cathode ray tube (CRT)and stored in virtual reality modeling language (VRML).We performed an experimentto reconstruct a 3D heart image in systole using this system.The experimental results indicatethat the system enables the visualization ofthe 3D and internal structure of a heart viewed from any angleand has potential for use in dynamic imaging,intraoperative ultrasonography and tele-medicine.

  18. Heterogeneous and hyperfine interactions between valence states of molecular iodine correlating with the I(2P1/2) + I(2P1/2) dissociation limit

    NASA Astrophysics Data System (ADS)

    Baturo, Vera V.; Cherepanov, Igor N.; Lukashov, Sergey S.; Poretsky, Sergey A.; Pravilov, Anatoly M.; Zhironkin, Anatoly I.

    2016-05-01

    Detailed analysis of interactions between all 0g + , 1u, and 0u - weakly bound states of iodine molecule correlating with the I(2P1/2) + I(2P1/2) (bb) dissociation limit has been performed. For this purpose, the 0u - (bb) state has been described using analysis of rotationally resolved excitation spectra of luminescence from the g 0g - state populated in a three-step three-color perturbation facilitated excitation scheme via the 0u - state. Energies of 41 rovibrational levels, molecular constants, and potential energy curve have been determined. Energy gaps between closest rovibrational levels of the 0u - and 0g + , 1u (bb) states are found to be large, ˜6 cm-1. However, interaction of all three 0g + , 1u, and 0u - (bb) states has been observed. It has been found that the 0u - and 1u electronic states are mixed by heterogeneous interactions, while their mixing with the 0g + one is due to hyperfine interactions predominantly. Admixture coefficients and electronic matrix elements of the coupling between the 0g + ˜1u, 0g + ˜ 0u - , and 0u - ˜1u states have been estimated.

  19. International "Intercomparison of 3-Dimensional (3D) Radiation Codes" (13RC)

    NASA Technical Reports Server (NTRS)

    Cahalan, Robert F.; Einaudi, Franco (Technical Monitor)

    2000-01-01

    An international "Intercomparison of 3-dimensional (3D) Radiation Codes" 13RC) has been initiated. It is endorsed by the GEWEX Radiation Panel, and funded jointly by the United States Department of Energy ARM program, and by the National Aeronautics and Space Administration Radiation Sciences program. It is a 3-phase effort that has as its goals to: (1) understand the errors and limits of 3D methods; (2) provide 'baseline' cases for future 3D code development; (3) promote sharing of 3D tools; (4) derive guidelines for 3D tool selection; and (5) improve atmospheric science education in 3D radiation.

  20. 3D Scientific Visualization with Blender

    NASA Astrophysics Data System (ADS)

    Kent, Brian R.

    2015-03-01

    This is the first book written on using Blender for scientific visualization. It is a practical and interesting introduction to Blender for understanding key parts of 3D rendering and animation that pertain to the sciences via step-by-step guided tutorials. 3D Scientific Visualization with Blender takes you through an understanding of 3D graphics and modelling for different visualization scenarios in the physical sciences.

  1. Valence quark spin distribution functions

    SciTech Connect

    Nathan Isgur

    1998-09-01

    The hyperfine interactions of the constituent quark model provide a natural explanation for many nucleon properties, including the {Delta} - N splitting, the charge radius of the neutron, and the observation that the proton's quark distribution function ratio d(x)/u(x) {r_arrow} 0 as x {r_arrow} 1. The hyperfine-perturbed quark model also makes predictions for the nucleon spin-dependent distribution functions. Precision measurements of the resulting asymmetries A{sub 1}{sup p}(x) and A{sub 1}{sup n}(x) in the valence region can test this model and thereby the hypothesis that the valence quark spin distributions are ''normal''.

  2. Forming Beliefs: Why Valence Matters.

    PubMed

    Sharot, Tali; Garrett, Neil

    2016-01-01

    One of the most salient attributes of information is valence: whether a piece of news is good or bad. Contrary to classic learning theories, which implicitly assume beliefs are adjusted similarly regardless of valence, we review evidence suggesting that different rules and mechanisms underlie learning from desirable and undesirable information. For self-relevant beliefs this asymmetry generates a positive bias, with significant implications for individuals and society. We discuss the boundaries of this asymmetry, characterize the neural system supporting it, and describe how changes in this circuit are related to individual differences in behavior. PMID:26704856

  3. 3D toroidal physics: testing the boundaries of symmetry breaking

    NASA Astrophysics Data System (ADS)

    Spong, Don

    2014-10-01

    Toroidal symmetry is an important concept for plasma confinement; it allows the existence of nested flux surface MHD equilibria and conserved invariants for particle motion. However, perfect symmetry is unachievable in realistic toroidal plasma devices. For example, tokamaks have toroidal ripple due to discrete field coils, optimized stellarators do not achieve exact quasi-symmetry, the plasma itself continually seeks lower energy states through helical 3D deformations, and reactors will likely have non-uniform distributions of ferritic steel near the plasma. Also, some level of designed-in 3D magnetic field structure is now anticipated for most concepts in order to lead to a stable, steady-state fusion reactor. Such planned 3D field structures can take many forms, ranging from tokamaks with weak 3D ELM-suppression fields to stellarators with more dominant 3D field structures. There is considerable interest in the development of unified physics models for the full range of 3D effects. Ultimately, the questions of how much symmetry breaking can be tolerated and how to optimize its design must be addressed for all fusion concepts. Fortunately, significant progress is underway in theory, computation and plasma diagnostics on many issues such as magnetic surface quality, plasma screening vs. amplification of 3D perturbations, 3D transport, influence on edge pedestal structures, MHD stability effects, modification of fast ion-driven instabilities, prediction of energetic particle heat loads on plasma-facing materials, effects of 3D fields on turbulence, and magnetic coil design. A closely coupled program of simulation, experimental validation, and design optimization is required to determine what forms and amplitudes of 3D shaping and symmetry breaking will be compatible with future fusion reactors. The development of models to address 3D physics and progress in these areas will be described. This work is supported both by the US Department of Energy under Contract DE

  4. 3D Inverse problem: Seawater intrusions

    NASA Astrophysics Data System (ADS)

    Steklova, K.; Haber, E.

    2013-12-01

    Modeling of seawater intrusions (SWI) is challenging as it involves solving the governing equations for variable density flow, multiple time scales and varying boundary conditions. Due to the nonlinearity of the equations and the large aquifer domains, 3D computations are a costly process, particularly when solving the inverse SWI problem. In addition the heads and concentration measurements are difficult to obtain due to mixing, saline wedge location is sensitive to aquifer topography, and there is general uncertainty in initial and boundary conditions and parameters. Some of these complications can be overcome by using indirect geophysical data next to standard groundwater measurements, however, the inverse problem is usually simplified, e.g. by zonation for the parameters based on geological information, steady state substitution of the unknown initial conditions, decoupling the equations or reducing the amount of unknown parameters by covariance analysis. In our work we present a discretization of the flow and solute mass balance equations for variable groundwater (GW) flow. A finite difference scheme is to solve pressure equation and a Semi - Lagrangian method for solute transport equation. In this way we are able to choose an arbitrarily large time step without losing stability up to an accuracy requirement coming from the coupled character of the variable density flow equations. We derive analytical sensitivities of the GW model for parameters related to the porous media properties and also the initial solute distribution. Analytically derived sensitivities reduce the computational cost of inverse problem, but also give insight for maximizing information in collected data. If the geophysical data are available it also enables simultaneous calibration in a coupled hydrogeophysical framework. The 3D inverse problem was tested on artificial time dependent data for pressure and solute content coming from a GW forward model and/or geophysical forward model. Two

  5. Software for 3D radiotherapy dosimetry. Validation

    NASA Astrophysics Data System (ADS)

    Kozicki, Marek; Maras, Piotr; Karwowski, Andrzej C.

    2014-08-01

    The subject of this work is polyGeVero® software (GeVero Co., Poland), which has been developed to fill the requirements of fast calculations of 3D dosimetry data with the emphasis on polymer gel dosimetry for radiotherapy. This software comprises four workspaces that have been prepared for: (i) calculating calibration curves and calibration equations, (ii) storing the calibration characteristics of the 3D dosimeters, (iii) calculating 3D dose distributions in irradiated 3D dosimeters, and (iv) comparing 3D dose distributions obtained from measurements with the aid of 3D dosimeters and calculated with the aid of treatment planning systems (TPSs). The main features and functions of the software are described in this work. Moreover, the core algorithms were validated and the results are presented. The validation was performed using the data of the new PABIGnx polymer gel dosimeter. The polyGeVero® software simplifies and greatly accelerates the calculations of raw 3D dosimetry data. It is an effective tool for fast verification of TPS-generated plans for tumor irradiation when combined with a 3D dosimeter. Consequently, the software may facilitate calculations by the 3D dosimetry community. In this work, the calibration characteristics of the PABIGnx obtained through four calibration methods: multi vial, cross beam, depth dose, and brachytherapy, are discussed as well.

  6. Dimensional accuracy of 3D printed vertebra

    NASA Astrophysics Data System (ADS)

    Ogden, Kent; Ordway, Nathaniel; Diallo, Dalanda; Tillapaugh-Fay, Gwen; Aslan, Can

    2014-03-01

    3D printer applications in the biomedical sciences and medical imaging are expanding and will have an increasing impact on the practice of medicine. Orthopedic and reconstructive surgery has been an obvious area for development of 3D printer applications as the segmentation of bony anatomy to generate printable models is relatively straightforward. There are important issues that should be addressed when using 3D printed models for applications that may affect patient care; in particular the dimensional accuracy of the printed parts needs to be high to avoid poor decisions being made prior to surgery or therapeutic procedures. In this work, the dimensional accuracy of 3D printed vertebral bodies derived from CT data for a cadaver spine is compared with direct measurements on the ex-vivo vertebra and with measurements made on the 3D rendered vertebra using commercial 3D image processing software. The vertebra was printed on a consumer grade 3D printer using an additive print process using PLA (polylactic acid) filament. Measurements were made for 15 different anatomic features of the vertebral body, including vertebral body height, endplate width and depth, pedicle height and width, and spinal canal width and depth, among others. It is shown that for the segmentation and printing process used, the results of measurements made on the 3D printed vertebral body are substantially the same as those produced by direct measurement on the vertebra and measurements made on the 3D rendered vertebra.

  7. Stereo 3-D Vision in Teaching Physics

    NASA Astrophysics Data System (ADS)

    Zabunov, Svetoslav

    2012-03-01

    Stereo 3-D vision is a technology used to present images on a flat surface (screen, paper, etc.) and at the same time to create the notion of three-dimensional spatial perception of the viewed scene. A great number of physical processes are much better understood when viewed in stereo 3-D vision compared to standard flat 2-D presentation. The current paper describes the modern stereo 3-D technologies that are applicable to various tasks in teaching physics in schools, colleges, and universities. Examples of stereo 3-D simulations developed by the author can be observed on online.

  8. Accuracy in Quantitative 3D Image Analysis

    PubMed Central

    Bassel, George W.

    2015-01-01

    Quantitative 3D imaging is becoming an increasingly popular and powerful approach to investigate plant growth and development. With the increased use of 3D image analysis, standards to ensure the accuracy and reproducibility of these data are required. This commentary highlights how image acquisition and postprocessing can introduce artifacts into 3D image data and proposes steps to increase both the accuracy and reproducibility of these analyses. It is intended to aid researchers entering the field of 3D image processing of plant cells and tissues and to help general readers in understanding and evaluating such data. PMID:25804539

  9. Valles Marineris - with 3D

    NASA Technical Reports Server (NTRS)

    2003-01-01

    [figure removed for brevity, see original site]

    The top half of this THEMIS visible image shows interior layered deposits that have long been recognized in Valles Marineris. Upon close examination, the layers appear to be eroding differently, indicating different levels of competency. This, in turn, may be interpreted to indicate different materials, and/or depositional processes. At the bottom of the image, materials eroded from the walls of the canyon form dunes and other aeolian bedforms.

    Note: this THEMIS visual image has not been radiometrically nor geometrically calibrated for this preliminary release. An empirical correction has been performed to remove instrumental effects. A linear shift has been applied in the cross-track and down-track direction to approximate spacecraft and planetary motion. Fully calibrated and geometrically projected images will be released through the Planetary Data System in accordance with Project policies at a later time.

    NASA's Jet Propulsion Laboratory manages the 2001 Mars Odyssey mission for NASA's Office of Space Science, Washington, D.C. The Thermal Emission Imaging System (THEMIS) was developed by Arizona State University, Tempe, in collaboration with Raytheon Santa Barbara Remote Sensing. The THEMIS investigation is led by Dr. Philip Christensen at Arizona State University. Lockheed Martin Astronautics, Denver, is the prime contractor for the Odyssey project, and developed and built the orbiter. Mission operations are conducted jointly from Lockheed Martin and from JPL, a division of the California Institute of Technology in Pasadena.

    Image information: VIS instrument. Latitude -6.5, Longitude 287.3 East (72.7 West). 19 meter/pixel resolution.

  10. Valences and Spin States of Ni and Pt Ions in the Quasi-One-Dimensional Compounds (Sr,A)3NiPtO6 (A = La and Na)

    NASA Astrophysics Data System (ADS)

    Takami, Tsuyoshi; Igarashi, Hirokazu; Itoh, Masayuki

    2010-04-01

    We report the preparation of polycrystalline samples of (Sr,A)3NiPtO6 (A = La and Na), in which a one-dimensional chain consists of alternating face-sharing NiO6 trigonal prisms and PtO6 octahedra, and the results of magnetization and X-ray photoemission spectroscopy (XPS) measurements. For the parent compound with a spin-liquid-like nature, the Ni 2p and Pt 4f core-level XPS spectra indicate mixed valence states of Ni2+/Ni3+/Ni4+ and Pt2+/Pt3+/Pt4+, respectively, even in a crystallographically independent site. Combining the effective magnetic moment derived from the magnetic susceptibility vs temperature curve, Ni ions in the prismatic site are in the high-spin state, whereas Pt ions in the octahedral site are in the low-spin state. Even when Sr is partially replaced with La or Na, a spin-liquid-like nature still remains.

  11. FastScript3D - A Companion to Java 3D

    NASA Technical Reports Server (NTRS)

    Koenig, Patti

    2005-01-01

    FastScript3D is a computer program, written in the Java 3D(TM) programming language, that establishes an alternative language that helps users who lack expertise in Java 3D to use Java 3D for constructing three-dimensional (3D)-appearing graphics. The FastScript3D language provides a set of simple, intuitive, one-line text-string commands for creating, controlling, and animating 3D models. The first word in a string is the name of a command; the rest of the string contains the data arguments for the command. The commands can also be used as an aid to learning Java 3D. Developers can extend the language by adding custom text-string commands. The commands can define new 3D objects or load representations of 3D objects from files in formats compatible with such other software systems as X3D. The text strings can be easily integrated into other languages. FastScript3D facilitates communication between scripting languages [which enable programming of hyper-text markup language (HTML) documents to interact with users] and Java 3D. The FastScript3D language can be extended and customized on both the scripting side and the Java 3D side.

  12. Configuration-interaction and Hylleraas configuration-interaction methods in valence-bond theory: Calculation of the nuclear shielding constant for the ground state of the hydrogen molecule

    SciTech Connect

    Komasa, J.; Cencek, W.; Rychlewski, J. )

    1992-09-01

    Values of the magnetic shielding constant in the ground state of the hydrogen molecule are calculated using explicitly correlated Gaussian functions. The total shielding at equilibrium amounts to 26.73 ppm.

  13. 3D PDF - a means of public access to geological 3D - objects, using the example of GTA3D

    NASA Astrophysics Data System (ADS)

    Slaby, Mark-Fabian; Reimann, Rüdiger

    2013-04-01

    In geology, 3D modeling has become very important. In the past, two-dimensional data such as isolines, drilling profiles, or cross-sections based on those, were used to illustrate the subsurface geology, whereas now, we can create complex digital 3D models. These models are produced with special software, such as GOCAD ®. The models can be viewed, only through the software used to create them, or through viewers available for free. The platform-independent PDF (Portable Document Format), enforced by Adobe, has found a wide distribution. This format has constantly evolved over time. Meanwhile, it is possible to display CAD data in an Adobe 3D PDF file with the free Adobe Reader (version 7). In a 3D PDF, a 3D model is freely rotatable and can be assembled from a plurality of objects, which can thus be viewed from all directions on their own. In addition, it is possible to create moveable cross-sections (profiles), and to assign transparency to the objects. Based on industry-standard CAD software, 3D PDFs can be generated from a large number of formats, or even be exported directly from this software. In geoinformatics, different approaches to creating 3D PDFs exist. The intent of the Authority for Mining, Energy and Geology to allow free access to the models of the Geotectonic Atlas (GTA3D), could not be realized with standard software solutions. A specially designed code converts the 3D objects to VRML (Virtual Reality Modeling Language). VRML is one of the few formats that allow using image files (maps) as textures, and to represent colors and shapes correctly. The files were merged in Acrobat X Pro, and a 3D PDF was generated subsequently. A topographic map, a display of geographic directions and horizontal and vertical scales help to facilitate the use.

  14. An aerial 3D printing test mission

    NASA Astrophysics Data System (ADS)

    Hirsch, Michael; McGuire, Thomas; Parsons, Michael; Leake, Skye; Straub, Jeremy

    2016-05-01

    This paper provides an overview of an aerial 3D printing technology, its development and its testing. This technology is potentially useful in its own right. In addition, this work advances the development of a related in-space 3D printing technology. A series of aerial 3D printing test missions, used to test the aerial printing technology, are discussed. Through completing these test missions, the design for an in-space 3D printer may be advanced. The current design for the in-space 3D printer involves focusing thermal energy to heat an extrusion head and allow for the extrusion of molten print material. Plastics can be used as well as composites including metal, allowing for the extrusion of conductive material. A variety of experiments will be used to test this initial 3D printer design. High altitude balloons will be used to test the effects of microgravity on 3D printing, as well as parabolic flight tests. Zero pressure balloons can be used to test the effect of long 3D printing missions subjected to low temperatures. Vacuum chambers will be used to test 3D printing in a vacuum environment. The results will be used to adapt a current prototype of an in-space 3D printer. Then, a small scale prototype can be sent into low-Earth orbit as a 3-U cube satellite. With the ability to 3D print in space demonstrated, future missions can launch production hardware through which the sustainability and durability of structures in space will be greatly improved.

  15. 3D ultrafast ultrasound imaging in vivo

    NASA Astrophysics Data System (ADS)

    Provost, Jean; Papadacci, Clement; Esteban Arango, Juan; Imbault, Marion; Fink, Mathias; Gennisson, Jean-Luc; Tanter, Mickael; Pernot, Mathieu

    2014-10-01

    Very high frame rate ultrasound imaging has recently allowed for the extension of the applications of echography to new fields of study such as the functional imaging of the brain, cardiac electrophysiology, and the quantitative imaging of the intrinsic mechanical properties of tumors, to name a few, non-invasively and in real time. In this study, we present the first implementation of Ultrafast Ultrasound Imaging in 3D based on the use of either diverging or plane waves emanating from a sparse virtual array located behind the probe. It achieves high contrast and resolution while maintaining imaging rates of thousands of volumes per second. A customized portable ultrasound system was developed to sample 1024 independent channels and to drive a 32  ×  32 matrix-array probe. Its ability to track in 3D transient phenomena occurring in the millisecond range within a single ultrafast acquisition was demonstrated for 3D Shear-Wave Imaging, 3D Ultrafast Doppler Imaging, and, finally, 3D Ultrafast combined Tissue and Flow Doppler Imaging. The propagation of shear waves was tracked in a phantom and used to characterize its stiffness. 3D Ultrafast Doppler was used to obtain 3D maps of Pulsed Doppler, Color Doppler, and Power Doppler quantities in a single acquisition and revealed, at thousands of volumes per second, the complex 3D flow patterns occurring in the ventricles of the human heart during an entire cardiac cycle, as well as the 3D in vivo interaction of blood flow and wall motion during the pulse wave in the carotid at the bifurcation. This study demonstrates the potential of 3D Ultrafast Ultrasound Imaging for the 3D mapping of stiffness, tissue motion, and flow in humans in vivo and promises new clinical applications of ultrasound with reduced intra—and inter-observer variability.

  16. Toward single cell traction microscopy within 3D collagen matrices

    SciTech Connect

    Hall, Matthew S.; Long, Rong; Feng, Xinzeng; Huang, YuLing; Hui, Chung-Yuen; Wu, Mingming

    2013-10-01

    Mechanical interaction between the cell and its extracellular matrix (ECM) regulates cellular behaviors, including proliferation, differentiation, adhesion, and migration. Cells require the three-dimensional (3D) architectural support of the ECM to perform physiologically realistic functions. However, current understanding of cell–ECM and cell–cell mechanical interactions is largely derived from 2D cell traction force microscopy, in which cells are cultured on a flat substrate. 3D cell traction microscopy is emerging for mapping traction fields of single animal cells embedded in either synthetic or natively derived fibrous gels. We discuss here the development of 3D cell traction microscopy, its current limitations, and perspectives on the future of this technology. Emphasis is placed on strategies for applying 3D cell traction microscopy to individual tumor cell migration within collagen gels. - Highlights: • Review of the current state of the art in 3D cell traction force microscopy. • Bulk and micro-characterization of remodelable fibrous collagen gels. • Strategies for performing 3D cell traction microscopy within collagen gels.

  17. 3-D Imaging Systems for Agricultural Applications-A Review.

    PubMed

    Vázquez-Arellano, Manuel; Griepentrog, Hans W; Reiser, David; Paraforos, Dimitris S

    2016-01-01

    Efficiency increase of resources through automation of agriculture requires more information about the production process, as well as process and machinery status. Sensors are necessary for monitoring the status and condition of production by recognizing the surrounding structures such as objects, field structures, natural or artificial markers, and obstacles. Currently, three dimensional (3-D) sensors are economically affordable and technologically advanced to a great extent, so a breakthrough is already possible if enough research projects are commercialized. The aim of this review paper is to investigate the state-of-the-art of 3-D vision systems in agriculture, and the role and value that only 3-D data can have to provide information about environmental structures based on the recent progress in optical 3-D sensors. The structure of this research consists of an overview of the different optical 3-D vision techniques, based on the basic principles. Afterwards, their application in agriculture are reviewed. The main focus lays on vehicle navigation, and crop and animal husbandry. The depth dimension brought by 3-D sensors provides key information that greatly facilitates the implementation of automation and robotics in agriculture. PMID:27136560

  18. 3-D Imaging Systems for Agricultural Applications—A Review

    PubMed Central

    Vázquez-Arellano, Manuel; Griepentrog, Hans W.; Reiser, David; Paraforos, Dimitris S.

    2016-01-01

    Efficiency increase of resources through automation of agriculture requires more information about the production process, as well as process and machinery status. Sensors are necessary for monitoring the status and condition of production by recognizing the surrounding structures such as objects, field structures, natural or artificial markers, and obstacles. Currently, three dimensional (3-D) sensors are economically affordable and technologically advanced to a great extent, so a breakthrough is already possible if enough research projects are commercialized. The aim of this review paper is to investigate the state-of-the-art of 3-D vision systems in agriculture, and the role and value that only 3-D data can have to provide information about environmental structures based on the recent progress in optical 3-D sensors. The structure of this research consists of an overview of the different optical 3-D vision techniques, based on the basic principles. Afterwards, their application in agriculture are reviewed. The main focus lays on vehicle navigation, and crop and animal husbandry. The depth dimension brought by 3-D sensors provides key information that greatly facilitates the implementation of automation and robotics in agriculture. PMID:27136560

  19. Constructing 3D interaction maps from 1D epigenomes

    PubMed Central

    Zhu, Yun; Chen, Zhao; Zhang, Kai; Wang, Mengchi; Medovoy, David; Whitaker, John W.; Ding, Bo; Li, Nan; Zheng, Lina; Wang, Wei

    2016-01-01

    The human genome is tightly packaged into chromatin whose functional output depends on both one-dimensional (1D) local chromatin states and three-dimensional (3D) genome organization. Currently, chromatin modifications and 3D genome organization are measured by distinct assays. An emerging question is whether it is possible to deduce 3D interactions by integrative analysis of 1D epigenomic data and associate 3D contacts to functionality of the interacting loci. Here we present EpiTensor, an algorithm to identify 3D spatial associations within topologically associating domains (TADs) from 1D maps of histone modifications, chromatin accessibility and RNA-seq. We demonstrate that active promoter–promoter, promoter–enhancer and enhancer–enhancer associations identified by EpiTensor are highly concordant with those detected by Hi-C, ChIA-PET and eQTL analyses at 200 bp resolution. Moreover, EpiTensor has identified a set of interaction hotspots, characterized by higher chromatin and transcriptional activity as well as enriched TF and ncRNA binding across diverse cell types, which may be critical for stabilizing the local 3D interactions. PMID:26960733

  20. Kinetic isotope effects of 12CH3D + OH and 13CH3D + OH from 278 to 313 K

    NASA Astrophysics Data System (ADS)

    Joelsson, L. M. T.; Schmidt, J. A.; Nilsson, E. J. K.; Blunier, T.; Griffith, D. W. T.; Ono, S.; Johnson, M. S.

    2016-04-01

    Methane is the second most important long-lived greenhouse gas and plays a central role in the chemistry of the Earth's atmosphere. Nonetheless there are significant uncertainties in its source budget. Analysis of the isotopic composition of atmospheric methane, including the doubly substituted species 13CH3D, offers new insight into the methane budget as the sources and sinks have distinct isotopic signatures. The most important sink of atmospheric methane is oxidation by OH in the troposphere, which accounts for around 84 % of all methane removal. Here we present experimentally derived methane + OH kinetic isotope effects and their temperature dependence over the range of 278 to 313 K for CH3D and 13CH3D; the latter is reported here for the first time. We find kCH4/kCH3D = 1.31 ± 0.01 and kCH4/k13CH3D = 1.34 ± 0.03 at room temperature, implying that the methane + OH kinetic isotope effect is multiplicative such that (kCH4/k13CH4)(kCH4/kCH3D) = kCH4/k13CH3D, within the experimental uncertainty, given the literature value of kCH4/k13CH4 = 1.0039 ± 0.0002. In addition, the kinetic isotope effects were characterized using transition state theory with tunneling corrections. Good agreement between the experimental, quantum chemical, and available literature values was obtained. Based on the results we conclude that the OH reaction (the main sink of methane) at steady state can produce an atmospheric clumped isotope signal (Δ(13CH3D) = ln([CH4][13CH3D]/[13CH4][CH3D])) of 0.02 ± 0.02. This implies that the bulk tropospheric Δ(13CH3D) reflects the source signal with relatively small adjustment due to the sink signal (i.e., mainly OH oxidation).

  1. 3-D seismology in the Arabian Gulf

    SciTech Connect

    Al-Husseini, M.; Chimblo, R.

    1995-08-01

    Since 1977 when Aramco and GSI (Geophysical Services International) pioneered the first 3-D seismic survey in the Arabian Gulf, under the guidance of Aramco`s Chief Geophysicist John Hoke, 3-D seismology has been effectively used to map many complex subsurface geological phenomena. By the mid-1990s extensive 3-D surveys were acquired in Abu Dhabi, Oman, Qatar and Saudi Arabia. Also in the mid-1990`s Bahrain, Kuwait and Dubai were preparing to record surveys over their fields. On the structural side 3-D has refined seismic maps, focused faults and fractures systems, as well as outlined the distribution of facies, porosity and fluid saturation. In field development, 3D has not only reduced drilling costs significantly, but has also improved the understanding of fluid behavior in the reservoir. In Oman, Petroleum Development Oman (PDO) has now acquired the first Gulf 4-D seismic survey (time-lapse 3D survey) over the Yibal Field. The 4-D survey will allow PDO to directly monitor water encroachment in the highly-faulted Cretaceous Shu`aiba reservoir. In exploration, 3-D seismology has resolved complex prospects with structural and stratigraphic complications and reduced the risk in the selection of drilling locations. The many case studies from Saudi Arabia, Oman, Qatar and the United Arab Emirates, which are reviewed in this paper, attest to the effectiveness of 3D seismology in exploration and producing, in clastics and carbonates reservoirs, and in the Mesozoic and Paleozoic.

  2. A 3D Geostatistical Mapping Tool

    1999-02-09

    This software provides accurate 3D reservoir modeling tools and high quality 3D graphics for PC platforms enabling engineers and geologists to better comprehend reservoirs and consequently improve their decisions. The mapping algorithms are fractals, kriging, sequential guassian simulation, and three nearest neighbor methods.

  3. 3D, or Not to Be?

    ERIC Educational Resources Information Center

    Norbury, Keith

    2012-01-01

    It may be too soon for students to be showing up for class with popcorn and gummy bears, but technology similar to that behind the 3D blockbuster movie "Avatar" is slowly finding its way into college classrooms. 3D classroom projectors are taking students on fantastic voyages inside the human body, to the ruins of ancient Greece--even to faraway…

  4. Stereoscopic Investigations of 3D Coulomb Balls

    SciTech Connect

    Kaeding, Sebastian; Melzer, Andre; Arp, Oliver; Block, Dietmar; Piel, Alexander

    2005-10-31

    In dusty plasmas particles are arranged due to the influence of external forces and the Coulomb interaction. Recently Arp et al. were able to generate 3D spherical dust clouds, so-called Coulomb balls. Here, we present measurements that reveal the full 3D particle trajectories from stereoscopic imaging.

  5. 3-D structures of planetary nebulae

    NASA Astrophysics Data System (ADS)

    Steffen, W.

    2016-07-01

    Recent advances in the 3-D reconstruction of planetary nebulae are reviewed. We include not only results for 3-D reconstructions, but also the current techniques in terms of general methods and software. In order to obtain more accurate reconstructions, we suggest to extend the widely used assumption of homologous nebula expansion to map spectroscopically measured velocity to position along the line of sight.

  6. Wow! 3D Content Awakens the Classroom

    ERIC Educational Resources Information Center

    Gordon, Dan

    2010-01-01

    From her first encounter with stereoscopic 3D technology designed for classroom instruction, Megan Timme, principal at Hamilton Park Pacesetter Magnet School in Dallas, sensed it could be transformative. Last spring, when she began pilot-testing 3D content in her third-, fourth- and fifth-grade classrooms, Timme wasn't disappointed. Students…

  7. 3D Printed Block Copolymer Nanostructures

    ERIC Educational Resources Information Center

    Scalfani, Vincent F.; Turner, C. Heath; Rupar, Paul A.; Jenkins, Alexander H.; Bara, Jason E.

    2015-01-01

    The emergence of 3D printing has dramatically advanced the availability of tangible molecular and extended solid models. Interestingly, there are few nanostructure models available both commercially and through other do-it-yourself approaches such as 3D printing. This is unfortunate given the importance of nanotechnology in science today. In this…

  8. Static & Dynamic Response of 3D Solids

    1996-07-15

    NIKE3D is a large deformations 3D finite element code used to obtain the resulting displacements and stresses from multi-body static and dynamic structural thermo-mechanics problems with sliding interfaces. Many nonlinear and temperature dependent constitutive models are available.

  9. Immersive 3D Geovisualization in Higher Education

    ERIC Educational Resources Information Center

    Philips, Andrea; Walz, Ariane; Bergner, Andreas; Graeff, Thomas; Heistermann, Maik; Kienzler, Sarah; Korup, Oliver; Lipp, Torsten; Schwanghart, Wolfgang; Zeilinger, Gerold

    2015-01-01

    In this study, we investigate how immersive 3D geovisualization can be used in higher education. Based on MacEachren and Kraak's geovisualization cube, we examine the usage of immersive 3D geovisualization and its usefulness in a research-based learning module on flood risk, called GEOSimulator. Results of a survey among participating students…

  10. Stereo 3-D Vision in Teaching Physics

    ERIC Educational Resources Information Center

    Zabunov, Svetoslav

    2012-01-01

    Stereo 3-D vision is a technology used to present images on a flat surface (screen, paper, etc.) and at the same time to create the notion of three-dimensional spatial perception of the viewed scene. A great number of physical processes are much better understood when viewed in stereo 3-D vision compared to standard flat 2-D presentation. The…

  11. Pathways for Learning from 3D Technology

    ERIC Educational Resources Information Center

    Carrier, L. Mark; Rab, Saira S.; Rosen, Larry D.; Vasquez, Ludivina; Cheever, Nancy A.

    2012-01-01

    The purpose of this study was to find out if 3D stereoscopic presentation of information in a movie format changes a viewer's experience of the movie content. Four possible pathways from 3D presentation to memory and learning were considered: a direct connection based on cognitive neuroscience research; a connection through "immersion" in that 3D…

  12. Clinical applications of 3-D dosimeters

    NASA Astrophysics Data System (ADS)

    Wuu, Cheng-Shie

    2015-01-01

    Both 3-D gels and radiochromic plastic dosimeters, in conjunction with dose image readout systems (MRI or optical-CT), have been employed to measure 3-D dose distributions in many clinical applications. The 3-D dose maps obtained from these systems can provide a useful tool for clinical dose verification for complex treatment techniques such as IMRT, SRS/SBRT, brachytherapy, and proton beam therapy. These complex treatments present high dose gradient regions in the boundaries between the target and surrounding critical organs. Dose accuracy in these areas can be critical, and may affect treatment outcome. In this review, applications of 3-D gels and PRESAGE dosimeter are reviewed and evaluated in terms of their performance in providing information on clinical dose verification as well as commissioning of various treatment modalities. Future interests and clinical needs on studies of 3-D dosimetry are also discussed.

  13. Biocompatible 3D Matrix with Antimicrobial Properties.

    PubMed

    Ion, Alberto; Andronescu, Ecaterina; Rădulescu, Dragoș; Rădulescu, Marius; Iordache, Florin; Vasile, Bogdan Ștefan; Surdu, Adrian Vasile; Albu, Madalina Georgiana; Maniu, Horia; Chifiriuc, Mariana Carmen; Grumezescu, Alexandru Mihai; Holban, Alina Maria

    2016-01-01

    The aim of this study was to develop, characterize and assess the biological activity of a new regenerative 3D matrix with antimicrobial properties, based on collagen (COLL), hydroxyapatite (HAp), β-cyclodextrin (β-CD) and usnic acid (UA). The prepared 3D matrix was characterized by Scanning Electron Microscopy (SEM), Fourier Transform Infrared Microscopy (FT-IRM), Transmission Electron Microscopy (TEM), and X-ray Diffraction (XRD). In vitro qualitative and quantitative analyses performed on cultured diploid cells demonstrated that the 3D matrix is biocompatible, allowing the normal development and growth of MG-63 osteoblast-like cells and exhibited an antimicrobial effect, especially on the Staphylococcus aureus strain, explained by the particular higher inhibitory activity of usnic acid (UA) against Gram positive bacterial strains. Our data strongly recommend the obtained 3D matrix to be used as a successful alternative for the fabrication of three dimensional (3D) anti-infective regeneration matrix for bone tissue engineering. PMID:26805790

  14. Fabrication of 3D Silicon Sensors

    SciTech Connect

    Kok, A.; Hansen, T.E.; Hansen, T.A.; Lietaer, N.; Summanwar, A.; Kenney, C.; Hasi, J.; Da Via, C.; Parker, S.I.; /Hawaii U.

    2012-06-06

    Silicon sensors with a three-dimensional (3-D) architecture, in which the n and p electrodes penetrate through the entire substrate, have many advantages over planar silicon sensors including radiation hardness, fast time response, active edge and dual readout capabilities. The fabrication of 3D sensors is however rather complex. In recent years, there have been worldwide activities on 3D fabrication. SINTEF in collaboration with Stanford Nanofabrication Facility have successfully fabricated the original (single sided double column type) 3D detectors in two prototype runs and the third run is now on-going. This paper reports the status of this fabrication work and the resulted yield. The work of other groups such as the development of double sided 3D detectors is also briefly reported.

  15. BEAMS3D Neutral Beam Injection Model

    SciTech Connect

    Lazerson, Samuel

    2014-04-14

    With the advent of applied 3D fi elds in Tokamaks and modern high performance stellarators, a need has arisen to address non-axisymmetric effects on neutral beam heating and fueling. We report on the development of a fully 3D neutral beam injection (NBI) model, BEAMS3D, which addresses this need by coupling 3D equilibria to a guiding center code capable of modeling neutral and charged particle trajectories across the separatrix and into the plasma core. Ionization, neutralization, charge-exchange, viscous velocity reduction, and pitch angle scattering are modeled with the ADAS atomic physics database [1]. Benchmark calculations are presented to validate the collisionless particle orbits, neutral beam injection model, frictional drag, and pitch angle scattering effects. A calculation of neutral beam heating in the NCSX device is performed, highlighting the capability of the code to handle 3D magnetic fields.

  16. Valence ionized states of iron pentacarbonyl and eta5-cyclopentadienyl cobalt dicarbonyl studied by symmetry-adapted cluster-configuration interaction calculation and collision-energy resolved Penning ionization electron spectroscopy.

    PubMed

    Fukuda, Ryoichi; Ehara, Masahiro; Nakatsuji, Hiroshi; Kishimoto, Naoki; Ohno, Koichi

    2010-02-28

    Valence ionized states of iron pentacarbonyl Fe(CO)(5) and eta(5)-cyclopentadienyl cobalt dicarbonyl Co(eta(5)-C(5)H(5))(CO)(2) have been studied by ultraviolet photoelectron spectroscopy, two-dimensional Penning ionization electron spectroscopy (2D-PIES), and symmetry-adapted cluster-configuration interaction calculations. Theory provided reliable assignments for the complex ionization spectra of these molecules, which have metal-carbonyl bonds. Theoretical ionization energies agreed well with experimental observations and the calculated wave functions could explain the relative intensities of PIES spectra. The collision-energy dependence of partial ionization cross sections (CEDPICS) was obtained by 2D-PIES. To interpret these CEDPICS, the interaction potentials between the molecules and a Li atom were examined in several coordinates by calculations. The relation between the slope of the CEDPICS and the electronic structure of the ionized states, such as molecular symmetry and the spatial distribution of ionizing orbitals, was analyzed. In Fe(CO)(5), an attractive interaction was obtained for the equatorial CO, while the interaction for the axial CO direction was repulsive. For Co(eta(5)-C(5)H(5))(CO)(2), the interaction potential in the direction of both Co-C-O and Co-Cp ring was attractive. These anisotropic interactions and ionizing orbital distributions consistently explain the relative slopes of the CEDPICS. PMID:20192297

  17. Ferromagnetic interactions between transition-metal impurities in topological and 3D Dirac semimetals

    NASA Astrophysics Data System (ADS)

    Dietl, Tomasz

    The magnitude of ferromagnetic coupling driven by inter-band (Bloembergen-Rowland - BR) and intra-band (Ruderman-Kittel-Kasuya-Yoshida - RKKY) spin polarization is evaluated within kp theory for topological semimetals Hg1-xMnxTe and Hg1-xMnxSe as well as for 3D Dirac semimetal (Cd1-xMnx)3As2. In these systems Mn2+ ions do not introduce any carriers. Since, however, both conduction and valence bands are built from anion p-type wave functions, hybridization of Mn d levels with neighboring anion p states leads to spin-dependent p - d coupling of both electrons and holes to localized Mn spins, resulting in sizable inter-band spin polarization and, thus in large BR interactions. We demonstrate that this ferromagnetic coupling, together with antiferromagnetic superexchange, elucidate a specific dependence of spin-glass freezing temperature on x, determined experimentally for these systems. Furthermore, by employing a multi-orbital tight-binding method, we find that superexchange becomes ferromagnetic when Mn is replaced by Cr or V. Since Cr should act as an isoelectronic impurity in HgTe, this opens a road for realization of ferromagnetic topological insulators based on (Hg,Cr)Te.

  18. 3-D Visualizations At (Almost) No Expense

    NASA Astrophysics Data System (ADS)

    Sedlock, R. L.

    2003-12-01

    Like most teaching-oriented public universities, San José State University (part of the California State University system) currently faces severe budgetary constraints. These circumstances prohibit the construction of one or more Geo-Walls on-campus. Nevertheless, the Department of Geology has pursued alternatives that enable our students to benefit from 3-D visualizations such as those used with the Geo-Wall. This experience - a sort of virtual virtuality - depends only on the availability of a computer lab and an optional plotter. Starting in June 2003, we have used the methods described here with two diverse groups of participants: middle- and high-school teachers taking professional development workshops through grants funded by NSF and NASA, and regular university students enrolled in introductory earth science and geology laboratory courses. We use two types of three-dimensional images with our students: visualizations from the on-line Gallery of Virtual Topography (Steve Reynolds), and USGS digital topographic quadrangles that have been transformed into anaglyph files for viewing with 3-D glasses. The procedure for transforming DEMs into these anaglyph files, developed by Paul Morin, is available at http://geosun.sjsu.edu/~sedlock/anaglyph.html. The resulting images can be used with students in one of two ways. First, maps can be printed on a suitable plotter, laminated (optional but preferable), and used repeatedly with different classes. Second, the images can be viewed in school computer labs or by students on their own computers. Chief advantages of the plotter option are (1) full-size maps (single or tiled) viewable in their entirety, and (2) dependability (independent of Internet connections and electrical power). Chief advantages of the computer option are (1) minimal preparation time and no other needed resources, assuming a computer lab with Internet access, and (2) students can work with the images outside of regularly scheduled courses. Both

  19. 3D Visualization Development of SIUE Campus

    NASA Astrophysics Data System (ADS)

    Nellutla, Shravya

    Geographic Information Systems (GIS) has progressed from the traditional map-making to the modern technology where the information can be created, edited, managed and analyzed. Like any other models, maps are simplified representations of real world. Hence visualization plays an essential role in the applications of GIS. The use of sophisticated visualization tools and methods, especially three dimensional (3D) modeling, has been rising considerably due to the advancement of technology. There are currently many off-the-shelf technologies available in the market to build 3D GIS models. One of the objectives of this research was to examine the available ArcGIS and its extensions for 3D modeling and visualization and use them to depict a real world scenario. Furthermore, with the advent of the web, a platform for accessing and sharing spatial information on the Internet, it is possible to generate interactive online maps. Integrating Internet capacity with GIS functionality redefines the process of sharing and processing the spatial information. Enabling a 3D map online requires off-the-shelf GIS software, 3D model builders, web server, web applications and client server technologies. Such environments are either complicated or expensive because of the amount of hardware and software involved. Therefore, the second objective of this research was to investigate and develop simpler yet cost-effective 3D modeling approach that uses available ArcGIS suite products and the free 3D computer graphics software for designing 3D world scenes. Both ArcGIS Explorer and ArcGIS Online will be used to demonstrate the way of sharing and distributing 3D geographic information on the Internet. A case study of the development of 3D campus for the Southern Illinois University Edwardsville is demonstrated.

  20. 3D Ultrafast Ultrasound Imaging In Vivo

    PubMed Central

    Provost, Jean; Papadacci, Clement; Arango, Juan Esteban; Imbault, Marion; Gennisson, Jean-Luc; Tanter, Mickael; Pernot, Mathieu

    2014-01-01

    Very high frame rate ultrasound imaging has recently allowed for the extension of the applications of echography to new fields of study such as the functional imaging of the brain, cardiac electrophysiology, and the quantitative real-time imaging of the intrinsic mechanical properties of tumors, to name a few, non-invasively and in real time. In this study, we present the first implementation of Ultrafast Ultrasound Imaging in three dimensions based on the use of either diverging or plane waves emanating from a sparse virtual array located behind the probe. It achieves high contrast and resolution while maintaining imaging rates of thousands of volumes per second. A customized portable ultrasound system was developed to sample 1024 independent channels and to drive a 32×32 matrix-array probe. Its capability to track in 3D transient phenomena occurring in the millisecond range within a single ultrafast acquisition was demonstrated for 3-D Shear-Wave Imaging, 3-D Ultrafast Doppler Imaging and finally 3D Ultrafast combined Tissue and Flow Doppler. The propagation of shear waves was tracked in a phantom and used to characterize its stiffness. 3-D Ultrafast Doppler was used to obtain 3-D maps of Pulsed Doppler, Color Doppler, and Power Doppler quantities in a single acquisition and revealed, for the first time, the complex 3-D flow patterns occurring in the ventricles of the human heart during an entire cardiac cycle, and the 3-D in vivo interaction of blood flow and wall motion during the pulse wave in the carotid at the bifurcation. This study demonstrates the potential of 3-D Ultrafast Ultrasound Imaging for the 3-D real-time mapping of stiffness, tissue motion, and flow in humans in vivo and promises new clinical applications of ultrasound with reduced intra- and inter-observer variability. PMID:25207828