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Sample records for liquid 3d transition

  1. 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.

  2. Solid-liquid phase transitions in 3D systems with the inverse-power and Yukawa potentials

    NASA Astrophysics Data System (ADS)

    Vaulina, O. S.; Koss, X. G.

    2016-03-01

    The melting of face-centered cubic (fcc) and body-centered cubic (bcc) crystal lattices was studied analytically and numerically for the systems of particles interacting via the inverse-power-law and Yukawa potentials. New approach is proposed for determination of the solid-liquid phase transitions in these systems. The suggested approach takes into account a nonlinearity (anharmonicity) of pair interaction forces and allows to correctly predict the conditions of melting of the systems with various isotropic pair interaction potentials. The obtained results are compared with the existing theoretical and numerical data.

  3. Optically rewritable 3D liquid crystal displays.

    PubMed

    Sun, J; Srivastava, A K; Zhang, W; Wang, L; Chigrinov, V G; Kwok, H S

    2014-11-01

    Optically rewritable liquid crystal display (ORWLCD) is a concept based on the optically addressed bi-stable display that does not need any power to hold the image after being uploaded. Recently, the demand for the 3D image display has increased enormously. Several attempts have been made to achieve 3D image on the ORWLCD, but all of them involve high complexity for image processing on both hardware and software levels. In this Letter, we disclose a concept for the 3D-ORWLCD by dividing the given image in three parts with different optic axis. A quarter-wave plate is placed on the top of the ORWLCD to modify the emerging light from different domains of the image in different manner. Thereafter, Polaroid glasses can be used to visualize the 3D image. The 3D image can be refreshed, on the 3D-ORWLCD, in one-step with proper ORWLCD printer and image processing, and therefore, with easy image refreshing and good image quality, such displays can be applied for many applications viz. 3D bi-stable display, security elements, etc.

  4. Characterization of flow pattern transitions for horizontal liquid-liquid pipe flows by using multi-scale distribution entropy in coupled 3D phase space

    NASA Astrophysics Data System (ADS)

    Zhai, Lu-Sheng; Zong, Yan-Bo; Wang, Hong-Mei; Yan, Cong; Gao, Zhong-Ke; Jin, Ning-De

    2017-03-01

    Horizontal oil-water two-phase flows often exist in many industrial processes. Uncovering the dynamic mechanism of the flow pattern transition is of great significance for modeling the flow parameters. In this study we propose a method called multi-scale distribution entropy (MSDE) in a coupled 3D phase space, and use it to characterize the flow pattern transitions in horizontal oil-water two-phase flows. Firstly, the proposed MSDE is validated with Lorenz system and ARFIMA processes. Interestingly, it is found that the MSDE is dramatically associated with the cross-correlations of the coupled time series. Then, through conducting the experiment of horizontal oil-water two-phase flows, the upstream and downstream flow information is collected using a conductance cross-correlation velocity probe. The coupled cross-correlated signals are investigated using the MSDE method, and the results indicate that the MSDE is an effective tool uncovering the complex dynamic behaviors of flow pattern transitions.

  5. Computational analysis of flow in 3D propulsive transition ducts

    NASA Technical Reports Server (NTRS)

    Sepri, Paavo

    1990-01-01

    A numerical analysis of fully three dimensional, statistically steady flows in propulsive transition ducts being considered for use in future aircraft of higher maneuverability is investigated. The purpose of the transition duct is to convert axisymmetric flow from conventional propulsion systems to that of a rectangular geometry of high aspect ratio. In an optimal design, the transition duct would be of minimal length in order to reduce the weight penalty, while the geometrical change would be gradual enough to avoid detrimental flow perturbations. Recent experiments conducted at the Propulsion Aerodynamics Branch have indicated that thrust losses in ducts of superelliptic cross-section can be surprisingly low, even if flow separation occurs near the divergent walls. In order to address the objective of developing a rational design procedure for optimal transition ducts, it is necessary to have available a reliable computational tool for the analysis of flows achieved in a sequence of configurations. Current CFD efforts involving complicated geometries usually must contend with two separate but interactive aspects: namely, grid generation and flow solution. The first two avenues of the present investigation were comprised of suitable grid generation for a class of transition ducts of superelliptic cross-section, and the subsequent application of the flow solver PAB3D to this geometry. The code, PAB3D, was developed as a comprehensive tool for the solution of both internal and external high speed flows. The third avenue of investigation has involved analytical formulations to aid in the understanding of the nature of duct flows, and also to provide a basis of comparison for subsequent numerical solutions. Numerical results to date include the generation of two preliminary grid systems for duct flows, and the initial application of PAB3D to the corresponding geometries, which are of the class tested experimentally.

  6. Magnetism In 3d Transition Metals at High Pressures

    SciTech Connect

    Iota, V

    2006-02-09

    This research project examined the changes in electronic and magnetic properties of transition metals and oxides under applied pressures, focusing on complex relationship between magnetism and phase stability in these correlated electron systems. As part of this LDRD project, we developed new measurement techniques and adapted synchrotron-based electronic and magnetic measurements for use in the diamond anvil cell. We have performed state-of-the-art X-ray spectroscopy experiments at the dedicated high-pressure beamline HP-CAT (Sector 16 Advanced Photon Source, Argonne National Laboratory), maintained in collaboration with of University of Nevada, Las Vegas and Geophysical Laboratory of The Carnegie Institution of Washington. Using these advanced measurements, we determined the evolution of the magnetic order in the ferromagnetic 3d transition metals (Fe, Co and Ni) under pressure, and found that at high densities, 3d band broadening results in diminished long range magnetic coupling. Our experiments have allowed us to paint a unified picture of the effects of pressure on the evolution of magnetic spin in 3d electron systems. The technical and scientific advances made during this LDRD project have been reported at a number of scientific meetings and conferences, and have been submitted for publication in technical journals. Both the technical advances and the physical understanding of correlated systems derived from this LDRD are being applied to research on the 4f and 5f electron systems under pressure.

  7. 2D-3D transition of gold cluster anions resolved

    NASA Astrophysics Data System (ADS)

    Johansson, Mikael P.; Lechtken, Anne; Schooss, Detlef; Kappes, Manfred M.; Furche, Filipp

    2008-05-01

    Small gold cluster anions Aun- are known for their unusual two-dimensional (2D) structures, giving rise to properties very different from those of bulk gold. Previous experiments and calculations disagree about the number of gold atoms nc where the transition to 3D structures occurs. We combine trapped ion electron diffraction and state of the art electronic structure calculations to resolve this puzzle and establish nc=12 . It is shown that theoretical studies using traditional generalized gradient functionals are heavily biased towards 2D structures. For a correct prediction of the 2D-3D crossover point it is crucial to use density functionals yielding accurate jellium surface energies, such as the Tao-Perdew-Staroverov-Scuseria (TPSS) functional or the Perdew-Burke-Ernzerhof functional modified for solids (PBEsol). Further, spin-orbit effects have to be included, and large, flexible basis sets employed. This combined theoretical-experimental approach is promising for larger gold and other metal clusters.

  8. Probability Density Function at the 3D Anderson Transition

    NASA Astrophysics Data System (ADS)

    Rodriguez, Alberto; Vasquez, Louella J.; Roemer, Rudolf

    2009-03-01

    The probability density function (PDF) for the wavefunction amplitudes is studied at the metal-insulator transition of the 3D Anderson model, for very large systems up to L^3=240^3. The implications of the multifractal nature of the state upon the PDF are presented in detail. A formal expression between the PDF and the singularity spectrum f(α) is given. The PDF can be easily used to carry out a numerical multifractal analysis and it appears as a valid alternative to the more usual approach based on the scaling law of the general inverse participation rations.

  9. Additive manufacturing. Continuous liquid interface production of 3D objects.

    PubMed

    Tumbleston, John R; Shirvanyants, David; Ermoshkin, Nikita; Janusziewicz, Rima; Johnson, Ashley R; Kelly, David; Chen, Kai; Pinschmidt, Robert; Rolland, Jason P; Ermoshkin, Alexander; Samulski, Edward T; DeSimone, Joseph M

    2015-03-20

    Additive manufacturing processes such as 3D printing use time-consuming, stepwise layer-by-layer approaches to object fabrication. We demonstrate the continuous generation of monolithic polymeric parts up to tens of centimeters in size with feature resolution below 100 micrometers. Continuous liquid interface production is achieved with an oxygen-permeable window below the ultraviolet image projection plane, which creates a "dead zone" (persistent liquid interface) where photopolymerization is inhibited between the window and the polymerizing part. We delineate critical control parameters and show that complex solid parts can be drawn out of the resin at rates of hundreds of millimeters per hour. These print speeds allow parts to be produced in minutes instead of hours.

  10. Voltage controlled magnetism in 3d transitional metals

    NASA Astrophysics Data System (ADS)

    Wang, Weigang

    2015-03-01

    Despite having attracted much attention in multiferroic materials and diluted magnetic semiconductors, the impact of an electric field on the magnetic properties remains largely unknown in 3d transitional ferromagnets (FMs) until recent years. A great deal of effort has been focused on the voltage-controlled magnetic anisotropy (VCMA) effect where the modulation of anisotropy field is understood by the change of electron density among different d orbitals of FMs in the presence of an electric field. Here we demonstrate another approach to alter the magnetism by electrically controlling the oxidation state of the 3d FM at the FM/oxide interface. The thin FM film sandwiched between a heavy metal layer and a gate oxide can be reversibly changed from an optimally-oxidized state with a strong perpendicular magnetic anisotropy to a metallic state with an in-plane magnetic anisotropy, or to a fully-oxidized state with nearly zero magnetization, depending on the polarity and time duration of the applied electric fields. This is a voltage controlled magnetism (VCM) effect, where both the saturation magnetization and anisotropy field of the 3d FM layer can be simultaneously controlled by voltage in a non-volatile fashion. We will also discuss the impact of this VCM effect on magnetic tunnel junctions and spin Hall switching experiments. This work, in collaboration with C. Bi, Y.H. Liu, T. Newhouse-Illige, M. Xu, M. Rosales, J.W. Freeland, O. Mryasov, S. Zhang, and S.G.E. te Velthuis, was supported in part by NSF (ECCS-1310338) and by C-SPIN, one of six centers of STARnet, a Semiconductor Research Corporation program, sponsored by MARCO and DARPA.

  11. Electric-dipole allowed and intercombination transitions among the 3d 5, 3d 44s and 3d 44p levels of Fe IV

    NASA Astrophysics Data System (ADS)

    Deb, Narayan C.; Hibbert, Alan

    2010-07-01

    Oscillator strengths and transition rates for the electric-dipole (E1) allowed and intercombination transitions among 3d 5, 3d 44s and 3d 44p levels of Fe IV are calculated using the CIV3 code of Hibbert and coworkers. Using the Hartree-Fock functions up to 3d orbitals we have also optimized 4s, 4p, 4d, 4f, 5s, 5p and 5d orbitals of which 4s and 4p are taken to be spectroscopic and the remaining orbitals represent corrections to the spectroscopic orbitals or the correlation effects. The J-dependent levels of 108 LS states are included in the calculation and the relativistic effects are accounted for via the Breit-Pauli operator. Configurations are chosen in two steps: (a) two promotions were allowed from the 3p, 3d, 4s and 4p subshells, using all the orbitals; and (b) selective promotions from the 3s subshell are included, but only to the 3s and 4s orbitals. The ab initio fine-structure levels are then fine tuned to reproduce observed energy levels as closely as possible, and the resulting wavefunctions are used to calculate oscillator strengths and transition rates for all possible E1 transitions. For many of these transitions, the present results show good agreement between the length and velocity forms while for some transitions, some large disagreements are found with other available results. The complete list of weighted oscillator strengths, transition rates, and line strengths for transitions among the fine structure levels of the three lowest configurations are presented in ascending order of wavelength.

  12. The 3d84s-3d84p transitions in Br IX

    NASA Astrophysics Data System (ADS)

    Zeng, X. T.; Jupén, C.; Livingston, A. E.; Westerlind, M.; Engström, L.; Martinson, I.

    1990-08-01

    The spectrum of bromine was studied in the region 450-1100 Å, using the beam-foil method with 6 MeV ions from a tandem accelerator. On the basis of isoelectronic extrapolations and theoretical calculations, 32 lines were classified as transitions between the 3p63d84s and 3p63d84p configurations of Co-like Br IX. Of the 16 possible 4s levels 13 have been located, and 11 new 4p levels have been added to the previously known ones. Only 4 of all the 4p levels (45 in total) remain to be found.

  13. Models for a liquid-liquid phase transition

    NASA Astrophysics Data System (ADS)

    Buldyrev, S. V.; Franzese, G.; Giovambattista, N.; Malescio, G.; Sadr-Lahijany, M. R.; Scala, A.; Skibinsky, A.; Stanley, H. E.

    2002-02-01

    We use molecular dynamics simulations to study two- and three-dimensional models with the isotropic double-step potential which in addition to the hard core has a repulsive soft core of larger radius. Our results indicate that the presence of two characteristic repulsive distances (hard core and soft core) is sufficient to explain liquid anomalies and a liquid-liquid phase transition, but these two phenomena may occur independently. Thus liquid-liquid transitions may exist in systems like liquid metals, regardless of the presence of the density anomaly. For 2D, we propose a model with a specific set of hard core and soft core parameters, that qualitatively reproduces the phase diagram and anomalies of liquid water. We identify two solid phases: a square crystal (high density phase), and a triangular crystal (low density phase) and discuss the relation between the anomalies of liquid and the polymorphism of the solid. Similarly to real water, our 2D system may have the second critical point in the metastable liquid phase beyond the freezing line. In 3D, we find several sets of parameters for which two fluid-fluid phase transition lines exist: the first line between gas and liquid and the second line between high-density liquid (HDL) and low-density liquid (LDL). In all cases, the LDL phase shows no density anomaly in 3D. We relate the absence of the density anomaly with the positive slope of the LDL-HDL phase transition line.

  14. Observation of the 1S0 to 3D1 clock transition in 175Lu+

    NASA Astrophysics Data System (ADS)

    Arnold, K. J.; Kaewuam, R.; Roy, A.; Paez, E.; Wang, S.; Barrett, M. D.

    2016-11-01

    We report direct laser spectroscopy of the 1S0 to 3D1 highly-forbidden M1 clock transition in 175Lu+ . Clock operation is demonstrated on three pairs of Zeeman transitions, one pair from each hyperfine manifold of the 3D1 term. We measure the hyperfine intervals of the 3D1 to 10 ppb uncertainty and infer the optical frequency averaged over the three hyperfine transitions to be 353.639 915 952 2 (6 ) THz. The lifetime of the 3D1 state is inferred to be 174-32+23 hours from the M1 coupling strength.

  15. Controllable liquid crystal gratings for an adaptive 2D/3D auto-stereoscopic display

    NASA Astrophysics Data System (ADS)

    Zhang, Y. A.; Jin, T.; He, L. C.; Chu, Z. H.; Guo, T. L.; Zhou, X. T.; Lin, Z. X.

    2017-02-01

    2D/3D switchable, viewpoint controllable and 2D/3D localizable auto-stereoscopic displays based on controllable liquid crystal gratings are proposed in this work. Using the dual-layer staggered structure on the top substrate and bottom substrate as driven electrodes within a liquid crystal cell, the ratio between transmitting region and shielding region can be selectively controlled by the corresponding driving circuit, which indicates that 2D/3D switch and 3D video sources with different disparity images can reveal in the same auto-stereoscopic display system. Furthermore, the controlled region in the liquid crystal gratings presents 3D model while other regions maintain 2D model in the same auto-stereoscopic display by the corresponding driving circuit. This work demonstrates that the controllable liquid crystal gratings have potential applications in the field of auto-stereoscopic display.

  16. On the shear viscosity of 3D Yukawa liquids

    SciTech Connect

    Donko, Z.; Hartmann, P.

    2008-09-07

    We report calculations of the shear viscosity of three-dimensional strongly-coupled Yukawa liquids, based on two different non-equilibrium molecular dynamics methods. The present simulations intend to improve the accuracy of shear viscosity data, compared to those obtained in earlier studies.

  17. Density functional theory optimized basis sets for gradient corrected functionals: 3d transition metal systems.

    PubMed

    Calaminici, Patrizia; Janetzko, Florian; Köster, Andreas M; Mejia-Olvera, Roberto; Zuniga-Gutierrez, Bernardo

    2007-01-28

    Density functional theory optimized basis sets for gradient corrected functionals for 3d transition metal atoms are presented. Double zeta valence polarization and triple zeta valence polarization basis sets are optimized with the PW86 functional. The performance of the newly optimized basis sets is tested in atomic and molecular calculations. Excitation energies of 3d transition metal atoms, as well as electronic configurations, structural parameters, dissociation energies, and harmonic vibrational frequencies of a large number of molecules containing 3d transition metal elements, are presented. The obtained results are compared with available experimental data as well as with other theoretical data from the literature.

  18. XUV spectra of 2nd transition row elements: identification of 3d-4p and 3d-4f transition arrays

    NASA Astrophysics Data System (ADS)

    Lokasani, Ragava; Long, Elaine; Maguire, Oisin; Sheridan, Paul; Hayden, Patrick; O'Reilly, Fergal; Dunne, Padraig; Sokell, Emma; Endo, Akira; Limpouch, Jiri; O'Sullivan, Gerry

    2015-12-01

    The use of laser produced plasmas (LPPs) in extreme ultraviolet/soft x-ray lithography and metrology at 13.5 nm has been widely reported and recent research efforts have focused on developing next generation sources for lithography, surface morphology, patterning and microscopy at shorter wavelengths. In this paper, the spectra emitted from LPPs of the 2nd transition row elements from yttrium (Z = 39) to palladium (Z = 46), with the exception of zirconium (Z = 40) and technetium (Z = 43), produced by two Nd:YAG lasers which delivered up to 600 mJ in 7 ns and 230 mJ in 170 ps, respectively, are reported. Intense emission was observed in the 2-8 nm spectral region resulting from unresolved transition arrays (UTAs) due to 3d-4p, 3d-4f and 3p-3d transitions. These transitions in a number of ion stages of yttrium, niobium, ruthenium and rhodium were identified by comparison with results from Cowan code calculations and previous studies. The theoretical data were parameterized using the UTA formalism and the mean wavelength and widths were calculated and compared with experimental results.

  19. Liquid crystal lens array for 3D microscopy and endoscope application

    NASA Astrophysics Data System (ADS)

    Huang, Yi-Pai; Hsieh, Po-Yuan; Hassanfiroozi, Amir; Chu, Chao-Yu; Hsuan, Yun; Martinez, Manuel; Javidi, Bahram

    2016-06-01

    In this paper, we demonstrate two liquid crystal (LC) lens array devices for 3D microscope and 3D endoscope applications respectively. Compared with the previous 3D biomedical system, the proposed LC lens arrays are not only switchable between 2D and 3D modes, but also are able to adjust focus in both modes. The multi-function liquid crystal lens (MFLC-lens) array with dual layer electrode has diameter 1.42 mm, which is much smaller than the conventional 3D endoscope with double fixed lenses. The hexagonal liquid crystal micro-lens array (HLC-MLA) instead of fixed micro-lens array in 3D light field microscope can extend the effective depth of field from 60 um to 780 um. To achieve the LC lens arrays, a high-resistance layer needs to be coated on the electrodes to generate an ideal gradient electric-field distribution, which can induce a lens-like form of LC molecules. The parameters and characteristics of high-resistance layer are investigated and discussed with an aim to optimize the performance of liquid crystal lens arrays.

  20. Weighted f-values, A-values, and line strengths for the E1 transitions among 3d 6, 3d 54s, and 3d 54p levels of Fe III

    NASA Astrophysics Data System (ADS)

    Deb, Narayan C.; Hibbert, Alan

    2009-03-01

    Weighted oscillator strengths, weighted radiative rates, and line strengths for all the E1 transitions between 285 fine-structure levels belonging to the 3d 6, 3d 54s, and 3d 54p configurations of Fe III are presented, in ascending order of wavelength. Calculations have been undertaken using the general configuration interaction (CI) code CIV3. The large configuration set is constructed by allowing single and double replacements from any of 3d 6, 3d 54s, 3d 54p, and 3d 54d configurations to nl orbitals with n⩽5,l⩽3 as well as 6p. Additional selective promotions from 3s and 3p subshells are also included in the CI expansions to incorporate the important correlation effects in the n=3 shell. Results of some strong transitions between levels of 3d 6, 3d 54s, and 3d 54p configurations are also presented and compared with other available calculations. It is found that large disagreements occur in many transitions among the existing calculations.

  1. 2D to 3D transition of polymeric carbon nitride nanosheets

    SciTech Connect

    Chamorro-Posada, Pedro; Vázquez-Cabo, José; Martín-Ramos, Pablo; Martín-Gil, Jesús; Navas-Gracia, Luis M.; Dante, Roberto C.

    2014-11-15

    The transition from a prevalent turbostratic arrangement with low planar interactions (2D) to an array of polymeric carbon nitride nanosheets with stronger interplanar interactions (3D), occurring for samples treated above 650 °C, was detected by terahertz-time domain spectroscopy (THz-TDS). The simulated 3D material made of stacks of shifted quasi planar sheets composed of zigzagged polymer ribbons, delivered a XRD simulated pattern in relatively good agreement with the experimental one. The 2D to 3D transition was also supported by the simulation of THz-TDS spectra obtained from quantum chemistry calculations, in which the same broad bands around 2 THz and 1.5 THz were found for 2D and 3D arrays, respectively. This transition was also in accordance with the tightening of the interplanar distance probably due to an interplanar π bond contribution, as evidenced also by a broad absorption around 2.6 eV in the UV–vis spectrum, which appeared in the sample treated at 650 °C, and increased in the sample treated at 700 °C. The band gap was calculated for 1D and 2D cases. The value of 3.374 eV for the 2D case is, within the model accuracy and precision, in a relative good agreement with the value of 3.055 eV obtained from the experimental results. - Graphical abstract: 2D lattice mode vibrations and structural changes correlated with the so called “2D to 3D transition”. - Highlights: • A 2D to 3D transition has been detected for polymeric carbon nitride. • THz-TDS allowed us to discover and detect the 2D to 3D transition of polymeric carbon nitride. • We propose a structure for polymeric carbon nitride confirming it with THz-TDS.

  2. Precision frequency measurements of He,43 2 3P→3 3D transitions at 588 nm

    NASA Astrophysics Data System (ADS)

    Luo, Pei-Ling; Peng, Jin-Long; Hu, Jinmeng; Feng, Yan; Wang, Li-Bang; Shy, Jow-Tsong

    2016-12-01

    We report the frequency measurements of the 2 3P→3 3D transitions in He,43 at 588 nm using an optical frequency comb stabilized laser system. The Doppler-free spectra of the 2 3P→3 3D transitions are demonstrated in an rf discharged sealed-off helium cell using intermodulated fluorescence spectroscopy. The measured absolute frequency of the 4He2 3P0→3 3D1 transition is 510 059 755.352(28) MHz, which is more precise than the previous measurement by two orders of magnitude. The ionization energies of the 4He2 3P0 and 2 3S1 states can be derived from our result and agree very well with the previous experimental values. More importantly, the Lamb shift of the 2 3S1 state can be deduced to be 4057.086(34) MHz, which is two times more precise than the previous result. In addition, the absolute frequencies of the 2 3P0,1 /2→3 3D1,3 /2 , 2 3P0,1 /2→3 3D1,1 /2 , and 2 3P0,1 /2→3 3D2,3 /2 transitions in 3He are measured. Our precision surpasses the theoretical calculations by more than one to two orders of magnitude. The hyperfine separations of the 3 3D states in 3He and the frequency differences between 4He and 3He transitions are also presented.

  3. Prediction of spin-dependent electronic structure in 3d-transition-metal doped antimonene

    NASA Astrophysics Data System (ADS)

    Yang, L. F.; Song, Y.; Mi, W. B.; Wang, X. C.

    2016-07-01

    We investigate the geometric structure and electronic and magnetic properties of 3d-transition-metal atom doped antimonene using spin-polarized first-principles calculations. Strong orbital hybridization exhibits between 3d-transition-metal and Sb atoms, where covalent bonds form in antimonene. A spin-polarized semiconducting state appears in Cr-doped antimonene, while half-metallic states appear by doping Ti, V, and Mn. These findings indicate that once combined with doping states, the bands of antimonene systems offer a variety of features. Specific dopants lead to half-metallic characters with high spin polarization that has potential application in spintronics.

  4. Fast-response liquid-crystal lens for 3D displays

    NASA Astrophysics Data System (ADS)

    Liu, Yifan; Ren, Hongwen; Xu, Su; Li, Yan; Wu, Shin-Tson

    2014-02-01

    Three-dimensional (3D) display has become an increasingly important technology trend for information display applications. Dozens of different 3D display solutions have been proposed. The autostereoscopic 3D display based on lenticular microlens array is a promising approach, and fast-switching microlens array enables this system to display both 3D and conventional 2D images. Here we report two different fast-response microlens array designs. The first one is a blue phase liquid crystal lens driven by the Pedot: PSS resistive film electrodes. This BPLC lens exhibits several attractive features, such as polarization insensitivity, fast response time, simple driving scheme, and relatively low driving voltage, as compared to other BPLC lens designs. The second lens design has a double-layered structure. The first layer is a polarization dependent polymer microlens array, and the second layer is a thin twisted-nematic (TN) liquid crystal cell. When the TN cell is switched on/off, the traversing light through the polymeric lens array is either focused or defocused, so that 2D/3D images are displayed correspondingly. This lens design has low driving voltage, fast response time, and simple driving scheme. Simulation and experiment demonstrate that the performance of both switchable lenses meet the requirement of 3D display system design.

  5. Laboratory rotational ground state transitions of NH3D+ and CF+

    NASA Astrophysics Data System (ADS)

    Stoffels, A.; Kluge, L.; Schlemmer, S.; Brünken, S.

    2016-09-01

    Aims: This paper reports accurate laboratory frequencies of the rotational ground state transitions of two astronomically relevant molecular ions, NH3D+ and CF+. Methods: Spectra in the millimetre-wave band were recorded by the method of rotational state-selective attachment of He atoms to the molecular ions stored and cooled in a cryogenic ion trap held at 4 K. The lowest rotational transition in the A state (ortho state) of NH3D+ (JK = 10-00), and the two hyperfine components of the ground state transition of CF+ (J = 1-0) were measured with a relative precision better than 10-7. Results: For both target ions, the experimental transition frequencies agree with recent observations of the same lines in different astronomical environments. In the case of NH3D+ the high-accuracy laboratory measurements lend support to its tentative identification in the interstellar medium. For CF+ the experimentally determined hyperfine splitting confirms previous quantum-chemical calculations and the intrinsic spectroscopic nature of a double-peaked line profile observed in the J = 1-0 transition towards the Horsehead photon-dominated region (PDR).

  6. On a particular solution to the 3D Navier-Stokes equations for liquids with cavitation

    NASA Astrophysics Data System (ADS)

    Rabinowitch, Alexander S.

    2016-08-01

    The 3D Navier-Stokes equations for incompressible viscous liquids are examined. In the axially symmetric case, they are represented in the form of three nonlinear partial differential equations. These equations are studied and their particular solution is found. In it, the velocity components are sinusoidal in the direction of their axis of symmetry. As to the pressure, it can reach a sufficiently small value at which the phenomenon of cavitation takes place in a liquid. The found solution describes some flows of viscous liquids outside vapor-filled regions in them.

  7. Spectroscopic investigation of the 3d 2D → nf 2F transitions in lithium

    NASA Astrophysics Data System (ADS)

    Shahzada, S.; Shah, M.; Haq, S. U.; Nawaz, M.; Ahmed, M.; Nadeem, Ali

    2016-05-01

    We report term energies and effective quantum numbers of the odd parity 3d 2D → nf 2F series of lithium using multi-step and multi-photon laser excitation schemes. The experiments were performed using three dye lasers simultaneously pumped by the second harmonic (532 nm) of a Q-switched Nd:YAG laser in conjunction with an atomic beam apparatus and thermionic diode ion detector. The first ionization potential of lithium has been determined as 43,487.13 ± 0.02 cm- 1 from the much extended 3d 2D → nf 2F (17 ≤ n ≤ 70) series. In addition, the oscillator strengths of the 3d 2D → nf 2F (15 ≤ n ≤ 48) transitions have been determined, showing a decreasing trend with the increase in principal quantum number n.

  8. Tuning the electronic and magnetic properties of borophene by 3d transition-metal atom adsorption

    NASA Astrophysics Data System (ADS)

    Li, J. Y.; Lv, H. Y.; Lu, W. J.; Shao, D. F.; Xiao, R. C.; Sun, Y. P.

    2016-12-01

    The electronic and magnetic properties of borophene functionalized by 3d transition metal (TM) atom adsorption are investigated by using first-principles calculations. The results show that the 3d TM atoms can be adsorbed on borophene with high binding energies ranging between 5.9 and 8.3 eV. Interestingly, the originally nonmagnetic borophene tends to be ferromagnetic when Ti, V, Cr, Mn, and Fe atoms are adsorbed, and the magnetic moments are dominated by the TM atoms. The origin of the ferromagnetism is discussed based on the Stoner criterion. Our results indicate that the magnetic properties of borophene can be effectively tuned through the adsorption of 3d TM atoms, which could have promising applications in spintronics and nanoelectronics.

  9. Deconfinement Phase Transition in a 3D Nonlocal U(1) Lattice Gauge Theory

    SciTech Connect

    Arakawa, Gaku; Ichinose, Ikuo; Matsui, Tetsuo; Sakakibara, Kazuhiko

    2005-06-03

    We introduce a 3D compact U(1) lattice gauge theory having nonlocal interactions in the temporal direction, and study its phase structure. The model is relevant for the compact QED{sub 3} and strongly correlated electron systems like the t-J model of cuprates. For a power-law decaying long-range interaction, which simulates the effect of gapless matter fields, a second-order phase transition takes place separating the confinement and deconfinement phases. For an exponentially decaying interaction simulating matter fields with gaps, the system exhibits no signals of a second-order transition.

  10. 3D lithography by rapid curing of the liquid instabilities at nanoscale

    PubMed Central

    Coppola, Sara; Vespini, Veronica; Merola, Francesco; Finizio, Andrea; Ferraro, Pietro

    2011-01-01

    In liquids realm, surface tension and capillarity are the key forces driving the formation of the shapes pervading the nature. The steady dew drops appearing on plant leaves and spider webs result from the minimization of the overall surface energy [Zheng Y, et al. (2010) Nature 463:640–643]. Thanks to the surface tension, the interfaces of such spontaneous structures exhibit extremely good spherical shape and consequently worthy optical quality. Also nanofluidic instabilities generate a variety of fascinating liquid silhouettes, but they are however intrinsically short-lived. Here we show that such unsteady liquid structures, shaped in polymeric liquids by an electrohydrodynamic pressure, can be rapidly cured by appropriate thermal treatments. The fabrication of many solid microstructures exploitable in photonics is demonstrated, thus leading to a new concept in 3D lithography. The applicability of specific structures as optical tweezers and as novel remotely excitable quantum dots–embedded microresonators is presented. PMID:21896720

  11. 3-D patterning of silicon by laser-initiated, liquid-assisted colloidal (LILAC) lithography.

    PubMed

    Ulmeanu, M; Grubb, M P; Jipa, F; Quignon, B; Ashfold, M N R

    2015-06-01

    We report a comprehensive study of laser-initiated, liquid-assisted colloidal (LILAC) lithography, and illustrate its utility in patterning silicon substrates. The method combines single shot laser irradiation (frequency doubled Ti-sapphire laser, 50fs pulse duration, 400nm wavelength) and medium-tuned optical near-field effects around arrays of silica colloidal particles to achieve 3-D surface patterning of silicon. A monolayer (or multilayers) of hexagonal close packed silica colloidal particles act as a mask and offer a route to liquid-tuned optical near field enhancement effects. The resulting patterns are shown to depend on the difference in refractive index of the colloidal particles (ncolloid) and the liquid (nliquid) in which they are immersed. Two different topographies are demonstrated experimentally: (a) arrays of bumps, centred beneath the original colloidal particles, when using liquids with nliquidliquids with nliquid>ncolloid - and explained with the aid of complementary Mie scattering simulations. The LILAC lithography technique has potential for rapid, large area, organized 3-D patterning of silicon (and related) substrates.

  12. Monitoring the solid-liquid interface in tanks using profiling sonar and 3D visualization techniques

    NASA Astrophysics Data System (ADS)

    Sood, Nitin; Zhang, Jinsong; Roelant, David; Srivastava, Rajiv

    2005-03-01

    Visualization of the interface between settled solids and the optically opaque liquid above is necessary to facilitate efficient retrieval of the high-level radioactive waste (HLW) from underground storage tanks. A profiling sonar was used to generate 2-D slices across the settled solids at the bottom of the tank. By incrementally rotating the sonar about its centerline, slices of the solid-liquid interface can be imaged and a 3-D image of the settled solids interface generated. To demonstrate the efficacy of the sonar in real-time solid-liquid interface monitoring systems inside HLW tanks, two sets of experiments were performed. First, various solid objects and kaolin clay (10 μm dia) were successfully imaged while agitating with 30% solids (by weight) entrained in the liquid. Second, a solid with a density similar to that of the immersed fluid density was successfully imaged. Two dimensional (2-D) sonar images and the accuracy and limitations of the in-tank imaging will be presented for these two experiments. In addition, a brief review of how to utilize a 2-D sonar image to generate a 3-D surface of the settled layer within a tank will be discussed.

  13. Regional Gastrointestinal Transit Times in Patients With Carcinoid Diarrhea: Assessment With the Novel 3D-Transit System

    PubMed Central

    Gregersen, Tine; Haase, Anne-Mette; Schlageter, Vincent; Gronbaek, Henning; Krogh, Klaus

    2015-01-01

    Background/Aims The paucity of knowledge regarding gastrointestinal motility in patients with neuroendocrine tumors and carcinoid diarrhea restricts targeted treatment. 3D-Transit is a novel, minimally invasive, ambulatory method for description of gastrointestinal motility. The system has not yet been evaluated in any group of patients. We aimed to test the performance of 3D-Transit in patients with carcinoid diarrhea and to compare the patients’ regional gastrointestinal transit times (GITT) and colonic motility patterns with those of healthy subjects. Methods Fifteen healthy volunteers and seven patients with neuroendocrine tumor and at least 3 bowel movements per day were investigated with 3D-Transit and standard radiopaque markers. Results Total GITT assessed with 3D-Transit and radiopaque markers were well correlated (Spearman’s rho = 0.64, P = 0.002). Median total GITT was 12.5 (range: 8.5–47.2) hours in patients versus 25.1 (range: 13.1–142.3) hours in healthy (P = 0.007). There was no difference in gastric emptying (P = 0.778). Median small intestinal transit time was 3.8 (range: 1.4–5.5) hours in patients versus 4.4 (range: 1.8–7.2) hours in healthy subjects (P = 0.044). Median colorectal transit time was 5.2 (range: 2.9–40.1) hours in patients versus 18.1 (range: 5.0–134.0) hours in healthy subjects (P = 0.012). Median frequency of pansegmental colonic movements was 0.45 (range: 0.03–1.02) per hour in patients and 0.07 (range: 0–0.61) per hour in healthy subjects (P = 0.045). Conclusions Three-dimensional Transit allows assessment of regional GITT in patients with diarrhea. Patients with carcinoid diarrhea have faster than normal gastrointestinal transit due to faster small intestinal and colorectal transit times. The latter is caused by an increased frequency of pansegmental colonic movements. PMID:26130638

  14. Magnetic engineering in 3d transition metals on phosphorene by strain

    NASA Astrophysics Data System (ADS)

    Cai, Xiaolin; Niu, Chunyao; Wang, Jianjun; Yu, Weiyang; Ren, XiaoYan; Zhu, Zhili

    2017-04-01

    Using first-principles density functional theory (DFT) calculations, we systematically investigate the strain effects on the adsorption energies, magnetic ordering and electronic properties of 3d transition metal (TM) atoms (from Sc to Co) adsorbed on phosphorene (P). We find that the adsorption energy of TM can be enhanced by compressive strain whereas weakened by tensile strain. Our results show that strain plays a decisive role in the magnetic moments as well as the magnetic coupling states of TM adatoms. Importantly, the transitions from antiferromagnetic (AFM) state to ferromagnetic (FM) state or to another different AFM ordering can be induced by strain effect. In addition, we observe the semiconductor to metal or half-metal transitions in some TM@P systems by applying strain. Our findings shed a new light on precisely engineering the magnetic properties and electronic properties of the TM@P systems, which will have great potential applications in spin electronics and other related fields.

  15. High-resistance liquid-crystal lens array for rotatable 2D/3D autostereoscopic display.

    PubMed

    Chang, Yu-Cheng; Jen, Tai-Hsiang; Ting, Chih-Hung; Huang, Yi-Pai

    2014-02-10

    A 2D/3D switchable and rotatable autostereoscopic display using a high-resistance liquid-crystal (Hi-R LC) lens array is investigated in this paper. Using high-resistance layers in an LC cell, a gradient electric-field distribution can be formed, which can provide a better lens-like shape of the refractive-index distribution. The advantages of the Hi-R LC lens array are its 2D/3D switchability, rotatability (in the horizontal and vertical directions), low driving voltage (~2 volts) and fast response (~0.6 second). In addition, the Hi-R LC lens array requires only a very simple fabrication process.

  16. Mimicking Natural Laminar to Turbulent Flow Transition: A Systematic CFD Study Using PAB3D

    NASA Technical Reports Server (NTRS)

    Pao, S. Paul; Abdol-Hamid, Khaled S.

    2005-01-01

    For applied aerodynamic computations using a general purpose Navier-Stokes code, the common practice of treating laminar to turbulent flow transition over a non-slip surface is somewhat arbitrary by either treating the entire flow as turbulent or forcing the flow to undergo transition at given trip locations in the computational domain. In this study, the possibility of using the PAB3D code, standard k-epsilon turbulence model, and the Girimaji explicit algebraic stresses model to mimic natural laminar to turbulent flow transition was explored. The sensitivity of flow transition with respect to two limiters in the standard k-epsilon turbulence model was examined using a flat plate and a 6:1 aspect ratio prolate spheroid for our computations. For the flat plate, a systematic dependence of transition Reynolds number on background turbulence intensity was found. For the prolate spheroid, the transition patterns in the three-dimensional boundary layer at different flow conditions were sensitive to the free stream turbulence viscosity limit, the reference Reynolds number and the angle of attack, but not to background turbulence intensity below a certain threshold value. The computed results showed encouraging agreements with the experimental measurements at the corresponding geometry and flow conditions.

  17. Decay of the 3D viscous liquid-gas two-phase flow model with damping

    NASA Astrophysics Data System (ADS)

    Zhang, Yinghui

    2016-08-01

    We establish the optimal Lp - L2(1 ≤ p < 6/5) time decay rates of the solution to the Cauchy problem for the 3D viscous liquid-gas two-phase flow model with damping and analyse the influences of the damping on the qualitative behaviors of solution. It is observed that the fraction effect of the damping affects the dispersion of fluids and enhances the time decay rate of solution. Our method of proof consists of Hodge decomposition technique, Lp - L2 estimates for the linearized equations, and delicate energy estimates.

  18. Reactive Flow Modeling of Liquid Explosives via ALE3D/Cheetah Simulations

    SciTech Connect

    Kuo, I W; Bastea, S; Fried, L E

    2010-03-10

    We carried out reactive flow simulations of liquid explosives such as nitromethane using the hydrodynamic code ALE3D coupled with equations of state and reaction kinetics modeled by the thermochemical code Cheetah. The simulation set-up was chosen to mimic cylinder experiments. For pure unconfined nitromethane we find that the failure diameter and detonation velocity dependence on charge diameter are in agreement with available experimental results. Such simulations are likely to be useful for determining detonability and failure behavior for a wide range of experimental conditions and explosive compounds.

  19. Rapid and Low-cost Prototyping of Medical Devices Using 3D Printed Molds for Liquid Injection Molding

    PubMed Central

    Chung, Philip; Heller, J. Alex; Etemadi, Mozziyar; Ottoson, Paige E.; Liu, Jonathan A.; Rand, Larry; Roy, Shuvo

    2014-01-01

    Biologically inert elastomers such as silicone are favorable materials for medical device fabrication, but forming and curing these elastomers using traditional liquid injection molding processes can be an expensive process due to tooling and equipment costs. As a result, it has traditionally been impractical to use liquid injection molding for low-cost, rapid prototyping applications. We have devised a method for rapid and low-cost production of liquid elastomer injection molded devices that utilizes fused deposition modeling 3D printers for mold design and a modified desiccator as an injection system. Low costs and rapid turnaround time in this technique lower the barrier to iteratively designing and prototyping complex elastomer devices. Furthermore, CAD models developed in this process can be later adapted for metal mold tooling design, enabling an easy transition to a traditional injection molding process. We have used this technique to manufacture intravaginal probes involving complex geometries, as well as overmolding over metal parts, using tools commonly available within an academic research laboratory. However, this technique can be easily adapted to create liquid injection molded devices for many other applications. PMID:24998993

  20. Rapid and low-cost prototyping of medical devices using 3D printed molds for liquid injection molding.

    PubMed

    Chung, Philip; Heller, J Alex; Etemadi, Mozziyar; Ottoson, Paige E; Liu, Jonathan A; Rand, Larry; Roy, Shuvo

    2014-06-27

    Biologically inert elastomers such as silicone are favorable materials for medical device fabrication, but forming and curing these elastomers using traditional liquid injection molding processes can be an expensive process due to tooling and equipment costs. As a result, it has traditionally been impractical to use liquid injection molding for low-cost, rapid prototyping applications. We have devised a method for rapid and low-cost production of liquid elastomer injection molded devices that utilizes fused deposition modeling 3D printers for mold design and a modified desiccator as an injection system. Low costs and rapid turnaround time in this technique lower the barrier to iteratively designing and prototyping complex elastomer devices. Furthermore, CAD models developed in this process can be later adapted for metal mold tooling design, enabling an easy transition to a traditional injection molding process. We have used this technique to manufacture intravaginal probes involving complex geometries, as well as overmolding over metal parts, using tools commonly available within an academic research laboratory. However, this technique can be easily adapted to create liquid injection molded devices for many other applications.

  1. Thermo/Soluto-capillary instabilities in 3D bi-component liquid pools using DNS

    NASA Astrophysics Data System (ADS)

    Williams, Adam; Saenz, Pedro; Valluri, Prashant; Sefiane, Khellil

    2015-11-01

    The behaviour of surface tension dominated flows in the presence of a temperature gradient and phase change is of great importance in designing micro-cooling devices. While evaporating pools and droplets have been investigated numerically and experimentally, these studies have dealt only with pure fluids. For bicomponent liquid mixtures, limited experimental studies have been conducted but a rigorous numerical model is absent. We present a two-phase multicomponent DNS model to simulate thermo/soluto-capillary instabilities in bicomponent liquid layers subject to a horizontal temperature gradient. The strategy fully accounts for a deformable interface using a variant of volume-of-fluid method. The presence of a second component introduces thermophoresis in the liquid phase which then gives rise to solutal Marangoni effects. By combining mixture thermodynamics with multiphase DNS, we investigate thermo/soluto-capillary and interfacial instabilities of a 3D bicomponent liquid pool. An important aspect we quantify is the strength of solutal over thermal Marangoni convection and its effect on stability of resultant interfacial waves and phase-separation in the liquid. The model is robust enough to include phase-change and the advection-diffusion of volatile species in the gas phase. Funded by EPSRC, Grant No. EP/K00963X/1.

  2. Theory of topological quantum phase transitions in 3D noncentrosymmetric systems.

    PubMed

    Yang, Bohm-Jung; Bahramy, Mohammad Saeed; Arita, Ryotaro; Isobe, Hiroki; Moon, Eun-Gook; Nagaosa, Naoto

    2013-02-22

    We construct a general theory describing the topological quantum phase transitions in 3D systems with broken inversion symmetry. While the consideration of the system's codimension generally predicts the appearance of a stable metallic phase between the normal and topological insulators, it is shown that a direct topological phase transition between two insulators is also possible when an accidental band crossing occurs along directions with high crystalline symmetry. At the quantum critical point, the energy dispersion becomes quadratic along one direction while the dispersions along the other two orthogonal directions are linear, which manifests the zero chirality of the band touching point. Because of the anisotropic dispersion at quantum critical point, various thermodynamic and transport properties show unusual temperature dependence and anisotropic behaviors.

  3. Quantum anomalous Hall effect and tunable topological states in 3d transition metals doped silicene.

    PubMed

    Zhang, Xiao-Long; Liu, Lan-Feng; Liu, Wu-Ming

    2013-10-09

    Silicene is an intriguing 2D topological material which is closely analogous to graphene but with stronger spin orbit coupling effect and natural compatibility with current silicon-based electronics industry. Here we demonstrate that silicene decorated with certain 3d transition metals (Vanadium) can sustain a stable quantum anomalous Hall effect using both analytical model and first-principles Wannier interpolation. We also predict the quantum valley Hall effect and electrically tunable topological states could be realized in certain transition metal doped silicene where the energy band inversion occurs. Our findings provide new scheme for the realization of quantum anomalous Hall effect and platform for electrically controllable topological states which are highly desirable for future nanoelectronics and spintronics application.

  4. Decay of the 3D inviscid liquid-gas two-phase flow model

    NASA Astrophysics Data System (ADS)

    Zhang, Yinghui

    2016-06-01

    We establish the optimal {Lp-L2(1 ≤ p < 6/5)} time decay rates of the solution to the Cauchy problem for the 3D inviscid liquid-gas two-phase flow model and analyze the influences of the damping on the qualitative behaviors of solution. Compared with the viscous liquid-gas two-phase flow model (Zhang and Zhu in J Differ Equ 258:2315-2338, 2015), our results imply that the friction effect of the damping is stronger than the dissipation effect of the viscosities and enhances the decay rate of the velocity. Our proof is based on Hodge decomposition technique, the {Lp-L2} estimates for the linearized equations and an elaborate energy method.

  5. Cylindrical liquid crystal lenses system for autostereoscopic 2D/3D display

    NASA Astrophysics Data System (ADS)

    Chen, Chih-Wei; Huang, Yi-Pai; Chang, Yu-Cheng; Wang, Po-Hao; Chen, Po-Chuan; Tsai, Chao-Hsu

    2012-06-01

    The liquid crystal lenses system, which could be electrically controlled easily for autostereoscopic 2D/3D switchable display was proposed. The High-Resistance liquid crystal (HRLC) lens utilized less controlled electrodes and coated a high-resistance layer between the controlled-electrodes was proposed and was used in this paper. Compare with the traditional LC lens, the HR-LC Lens could provide smooth electric-potential distribution within the LC layer under driving status. Hence, the proposed HR-LC Lens had less circuit complexity, low driving voltage, and good optical performance also could be obtained. In addition, combining with the proposed driving method called dual-directional overdriving method, the above method could reduce the switching time by applying large voltage onto cell. Consequently, the total switching time could be further reduced to around 2second. It is believed that the LC lens system has high potential in the future.

  6. Resonant x-ray scattering in 3d-transition-metal oxides: Anisotropy and charge orderings

    NASA Astrophysics Data System (ADS)

    Subías, G.; García, J.; Blasco, J.; Herrero-Martín, J.; Sánchez, M. C.

    2009-11-01

    The structural, magnetic and electronic properties of transition metal oxides reflect in atomic charge, spin and orbital degrees of freedom. Resonant x-ray scattering (RXS) allows us to perform an accurate investigation of all these electronic degrees. RXS combines high-Q resolution x-ray diffraction with the properties of the resonance providing information similar to that obtained by atomic spectroscopy (element selectivity and a large enhancement of scattering amplitude for this particular element and sensitivity to the symmetry of the electronic levels through the multipole electric transitions). Since electronic states are coupled to the local symmetry, RXS reveals the occurrence of symmetry breaking effects such as lattice distortions, onset of electronic orbital ordering or ordering of electronic charge distributions. We shall discuss the strength of RXS at the K absorption edge of 3d transition-metal oxides by describing various applications in the observation of local anisotropy and charge disproportionation. Examples of these resonant effects are (I) charge ordering transitions in manganites, Fe3O4 and ferrites and (II) forbidden reflections and anisotropy in Mn3+ perovskites, spinel ferrites and cobalt oxides. In all the studied cases, the electronic (charge and/or anisotropy) orderings are determined by the structural distortions.

  7. A 3D Computational Study on the Air-Blast Atomization of a Planar Liquid Layer

    NASA Astrophysics Data System (ADS)

    Chiodi, Robert; Desjardins, Olivier

    2016-11-01

    The air-blast atomization of a planar liquid layer is a complex fluid phenomenon involving the destabilization of a low speed liquid layer by a high speed gas coflow. While progress has been made in recent years on understanding the instability of the liquid surface, it remains difficult to accurately predict using stability analysis and requires special expertise and equipment to perform thorough experiments. Simulations provide an excellent way to conduct parametric studies to determine the effect of splitter plate geometry and momentum flux ratio on the frequency and wavelengths of instability, however, they are extremely difficult due to the high density ratio and large range of length and time scales present in the flow. Using an accurate conservative level set method in conjunction with a newly reformulated reinitialization equation, we perform 3D simulations of the air-blast atomization of a planar liquid layer and compare them to experiments. We then go on to explore the role momentum flux ratio plays in the longitudinal and transverse wavelengths of instability.

  8. The 3d9-3d84p Transitions in the Spectra of Highly-Ionized Elements Yttrium to Silver (Y XIII-Ag XXI)

    NASA Astrophysics Data System (ADS)

    Wyart, Jean-François; Klapisch, Marcel; Schwob, Jean-Louis; Schweitzer, Naftaly

    1982-09-01

    Two hundred and ninety-five lines of the spectra of cobalt-like ions Y XII, Zr XIV, Nb XV, Mo XVI, Ru XVIII, Rh XIX, Pd XX and Ag XXI have been classified as 3d9-3d84p transitions. They involve 250 energy levels which are described by 21 parameters with a root-mean-square deviation of 290 cm-1. The scaling factors of radial integrals calculated by the Hartree-Fock method have been fitted as well as effective electrostatic parameters. The validity of the results is based on isoelectronic regularities and has been checked by extrapolations to the known spectra of Br IX and Sn XXIV. Predictions are given for Kr X, Rb XI, Sr XII, Cd XXII and In XXIII.

  9. 3D multi-view system using electro-wetting liquid lenticular lenses

    NASA Astrophysics Data System (ADS)

    Won, Yong Hyub; Kim, Junoh; Kim, Cheoljoong; Shin, Dooseub; Lee, Junsik; Koo, Gyohyun

    2016-06-01

    Lenticular multi-view system has great potential of three dimensional image realization. This paper introduces a fabrication of liquid lenticular lens array and an idea of increasing view points with a same resolution. Tunable liquid lens array can produce three dimensional images by using electro-wetting principle that changes surface tensions by applying voltage. The liquid lenticular device consists of a chamber, two different liquids and a sealing plate. To fabricate the chamber, an <100> silicon wafer is wet-etched by KOH solution and a trapezoid shaped chamber can be made after a certain time. The chamber having slanted walls is advantageous for electro-wetting achieving high diopter. Electroplating is done to make a nikel mold and poly methyl methacrylate (PMMA) chamber is fabricated through an embossing process. Indium tin oxide (ITO) is sputtered and parylene C and Teflon AF1600 is deposited for dielectric and hydrophobic layer respectively. Two immiscible liquids are injected and a glass plate as a sealing plate is covered with polycarbonates (PC) gaskets and sealed by UV adhesive. Two immiscible liquids are D.I water and a mixture of 1-chloronaphthalene and dodecane. The completed lenticular lens shows 2D and 3D images by applying certain voltages. Dioptric power and operation speed of the lenticular lens array are measured. A novel idea that an increment of viewpoints by electrode separation process is also proposed. The left and right electrodes of lenticular lens can be induced by different voltages and resulted in tilted optical axis. By switching the optical axis quickly, two times of view-points can be achieved with a same pixel resolution.

  10. Effect of dimensionality on vapor-liquid phase transition

    SciTech Connect

    Singh, Sudhir Kumar

    2014-04-24

    Dimensionality play significant role on ‘phase transitions’. Fluids in macroscopic confinement (bulk or 3-Dimensional, 3D) do not show significant changes in their phase transition properties with extent of confinement, since the number of molecules away from the surrounding surfaces is astronomically higher than the number of molecules in close proximity of the confining surfaces. In microscopic confinement (quasi 3D to quasi-2D), however, the number of molecules away from the close proximity of the surface is not as high as is the case with macroscopic (3D) confinement. Hence, under the same thermodynamic conditions ‘phase transition’ properties at microscopic confinement may not remain the same as the macroscopic or 3D values. Phase transitions at extremely small scale become very sensitive to the dimensions as well as the surface characteristics of the system. In this work our investigations reveal the effect of dimensionality on the phase transition from 3D to quasi-2D to 2D behavior. We have used grand canonical transition matrix Monte Carlo simulation to understand the vapor–liquid phase transitions from 3D to quasi-2D behavior. Such studies can be helpful in understanding and controlling the fluid film behaviour confined between solid surfaces of few molecular diameters, for example, in lubrication applications.

  11. 3-D High-Lift Flow-Physics Experiment - Transition Measurements

    NASA Technical Reports Server (NTRS)

    McGinley, Catherine B.; Jenkins, Luther N.; Watson, Ralph D.; Bertelrud, Arild

    2005-01-01

    An analysis of the flow state on a trapezoidal wing model from the NASA 3-D High Lift Flow Physics Experiment is presented. The objective of the experiment was to characterize the flow over a non-proprietary semi-span three-element high-lift configuration to aid in assessing the state of the art in the computation of three-dimensional high-lift flows. Surface pressures and hot-film sensors are used to determine the flow conditions on the slat, main, and flap. The locations of the attachments lines and the values of the attachment line Reynolds number are estimated based on the model surface pressures. Data from the hot-films are used to determine if the flow is laminar, transitional, or turbulent by examining the hot-film time histories, statistics, and frequency spectra.

  12. Multiple-scattering approach to the x-ray-absorption spectra of 3d transition metals

    NASA Astrophysics Data System (ADS)

    Kitamura, Michihide; Muramatsu, Shinji; Sugiura, Chikara

    1986-04-01

    The x-ray-absorption near-edge structure (XANES) has been calculated for the 3d transition metals Cr, Fe, Ni, and Cu from a multiple-scattering approach within the muffin-tin-potential approximation, as a first step to studying the XANES for complicated materials. The muffin-tin potential is constructed via the Mattheiss prescription using the atomic data of Herman and Skillman. It is found that the XANES is sensitive to the potential used and that the calculated XANES spectra reproduce the number of peaks and their separations observed experimentally. The final spectra, including the lifetime-broadening effect, show the general features of each material. We emphasize that the multiple-scattering theory which can be applied to the disordered systems as well as the ordered ones may be promising as a tool to analyze the XANES of complicated materials.

  13. Electronic Properties of COPPER-3d Transition-Metal Pairs in Silicon

    NASA Astrophysics Data System (ADS)

    Justo, João F.; Assali, Lucy V. C.

    We report a theoretical investigation of the chemical trends in the electronic properties of the substitutional Cu-interstitial 3d-transition-metal (Cr, Mn, Fe) trigonal pairs in silicon. The calculations were carried out in the framework of the multiple-scattering Xα molecular cluster model. The electronic structures show that the stability of these pairs is mostly the result of a covalent interaction between the molecular orbitals coming not only from the Cu and TM atoms but also from the neighboring Si atoms. These results are in contrast to an ionic model which has been generally invoked to explain the stability of those pairs, but in agreement with some recent experimental findings. The Fermi contact terms for all the stable pairs in different charge states were computed and compared to available experimental data. We speculate on the existence of a different microscopic structure to explain these Cu-related complex pairs.

  14. Dirac cones in artificial structures of 3d transitional-metals doped Mg-Al spinels

    SciTech Connect

    Lu, Yuan; Zuo, Xu; Feng, Min; Shao, Bin

    2014-05-07

    Motivated by recent theoretical predications for Dirac cone in two-dimensional (2D) triangular lattice [H. Ishizuka, Phys. Rev. Lett. 109, 237207 (2012)], first-principles studies are performed to predict Dirac cones in artificial structures of 3d transitional-metals (TM = Ti, V, Cr, Mn, Fe, Co, Ni, and Cu) doped Mg-Al spinels. In investigated artificial structures, TM dopants substitute specific positions of the B sub-lattice in Mg-Al spinel, and form a quasi-2D triangular lattice in the a-b plane. Calculated results illustrate the existence of the spin-polarized Dirac cones formed in d-wave bands at (around) the K-point in the momentum space. The study provides a promising route for engineering Dirac physics in condensed matters.

  15. Dirac cones in artificial structures of 3d transitional-metals doped Mg-Al spinels

    NASA Astrophysics Data System (ADS)

    Lu, Yuan; Feng, Min; Shao, Bin; Zuo, Xu

    2014-05-01

    Motivated by recent theoretical predications for Dirac cone in two-dimensional (2D) triangular lattice [H. Ishizuka, Phys. Rev. Lett. 109, 237207 (2012)], first-principles studies are performed to predict Dirac cones in artificial structures of 3d transitional-metals (TM = Ti, V, Cr, Mn, Fe, Co, Ni, and Cu) doped Mg-Al spinels. In investigated artificial structures, TM dopants substitute specific positions of the B sub-lattice in Mg-Al spinel, and form a quasi-2D triangular lattice in the a-b plane. Calculated results illustrate the existence of the spin-polarized Dirac cones formed in d-wave bands at (around) the K-point in the momentum space. The study provides a promising route for engineering Dirac physics in condensed matters.

  16. 3d Transition Metal Adsorption Induced the valley-polarized Anomalous Hall Effect in Germanene

    PubMed Central

    Zhou, P.; Sun, L. Z.

    2016-01-01

    Based on DFT + U and Berry curvature calculations, we study the electronic structures and topological properties of 3d transition metal (TM) atom (from Ti to Co) adsorbed germanene (TM-germanene). We find that valley-polarized anomalous Hall effect (VAHE) can be realized in germanene by adsorbing Cr, Mn, or Co atoms on its surface. A finite valley Hall voltage can be easily detected in their nanoribbon, which is important for valleytronics devices. Moreover, different valley-polarized current and even reversible valley Hall voltage can be archived by shifting the Fermi energy of the systems. Such versatile features of the systems show potential in next generation electronics devices. PMID:27312176

  17. Liquid immersion thermal crosslinking of 3D polymer nanopatterns for direct carbonisation with high structural integrity

    PubMed Central

    Kang, Da-Young; Kim, Cheolho; Park, Gyurim; Moon, Jun Hyuk

    2015-01-01

    The direct pyrolytic carbonisation of polymer patterns has attracted interest for its use in obtaining carbon materials. In the case of carbonisation of nanopatterned polymers, the polymer flow and subsequent pattern change may occur in order to relieve their high surface energies. Here, we demonstrated that liquid immersion thermal crosslinking of polymer nanopatterns effectively enhanced the thermal resistance and maintained the structure integrity during the heat treatment. We employed the liquid immersion thermal crosslinking for 3D porous SU8 photoresist nanopatterns and successfully converted them to carbon nanopatterns while maintaining their porous features. The thermal crosslinking reaction and carbonisation of SU8 nanopatterns were characterised. The micro-crystallinity of the SU8-derived carbon nanopatterns was also characterised. The liquid immersion heat treatment can be extended to the carbonisation of various polymer or photoresist nanopatterns and also provide a facile way to control the surface energy of polymer nanopatterns for various purposes, for example, to block copolymer or surfactant self-assemblies. PMID:26677949

  18. Photonic liquid crystal fibers tuning by four electrode system produced with 3D printing technology

    NASA Astrophysics Data System (ADS)

    Ertman, Slawomir; Bednarska, Karolina; Czapla, Aleksandra; Woliński, Tomasz R.

    2015-09-01

    Photonic liquid crystal fiber has been intensively investigated in last few years. It has been proved that guiding properties of such fibers could be tuned with an electric field. In particular efficient tuning could be obtained if multi-electrode system allowing for dynamic change of not only intensity of the electric field, but also its direction. In this work we report a simple to build four electrode system, which is based on a precisely aligned four cylindrical microelectrodes. As an electrodes we use enameled copper wire with diameter adequate to the diameter of the fiber to be tuned. To ensure uniform and parallel alignment of the wires a special micro-profiles has been designed and then produced with filament 3D printer. The possibility of the dynamic change of the electric field direction in such scalable and cost effective electrode assembly has been experimentally confirmed.

  19. Multigrid direct numerical simulation of the whole process of flow transition in 3-D boundary layers

    NASA Technical Reports Server (NTRS)

    Liu, Chaoqun; Liu, Zhining

    1993-01-01

    A new technology was developed in this study which provides a successful numerical simulation of the whole process of flow transition in 3-D boundary layers, including linear growth, secondary instability, breakdown, and transition at relatively low CPU cost. Most other spatial numerical simulations require high CPU cost and blow up at the stage of flow breakdown. A fourth-order finite difference scheme on stretched and staggered grids, a fully implicit time marching technique, a semi-coarsening multigrid based on the so-called approximate line-box relaxation, and a buffer domain for the outflow boundary conditions were all used for high-order accuracy, good stability, and fast convergence. A new fine-coarse-fine grid mapping technique was developed to keep the code running after the laminar flow breaks down. The computational results are in good agreement with linear stability theory, secondary instability theory, and some experiments. The cost for a typical case with 162 x 34 x 34 grid is around 2 CRAY-YMP CPU hours for 10 T-S periods.

  20. Recipe for High Moment Materials with Rare-earth and 3d Transition Metal Composites

    NASA Astrophysics Data System (ADS)

    Autieri, Carmine; Kumar, P. Anil; Walecki, Dirk; Webers, Samira; Gubbins, Mark A.; Wende, Heiko; Sanyal, Biplab

    2016-07-01

    Materials with high volume magnetization are perpetually needed for the generation of sufficiently large magnetic fields by writer pole of magnetic hard disks, especially for achieving increased areal density in storage media. In search of suitable materials combinations for this purpose, we have employed density functional theory to predict the magnetic coupling between iron and gadolinium layers separated by one to several monolayers of 3d transition metals (Sc-Zn). We demonstrate that it is possible to find ferromagnetic coupling for many of them and in particular for the early transition metals giving rise to high moment. Cr and Mn are the only elements able to produce a significant ferromagnetic coupling for thicker spacer layers. We also present experimental results on two trilayer systems Fe/Sc/Gd and Fe/Mn/Gd. From the experiments, we confirm a ferromagnetic coupling between Fe and Gd across a 3 monolayers Sc spacer or a Mn spacer thicker than 1 monolayer. In addition, we observe a peculiar dependence of Fe/Gd magnetic coupling on the Mn spacer thickness.

  1. Recipe for High Moment Materials with Rare-earth and 3d Transition Metal Composites

    PubMed Central

    Autieri, Carmine; Kumar, P. Anil; Walecki, Dirk; Webers, Samira; Gubbins, Mark A.; Wende, Heiko; Sanyal, Biplab

    2016-01-01

    Materials with high volume magnetization are perpetually needed for the generation of sufficiently large magnetic fields by writer pole of magnetic hard disks, especially for achieving increased areal density in storage media. In search of suitable materials combinations for this purpose, we have employed density functional theory to predict the magnetic coupling between iron and gadolinium layers separated by one to several monolayers of 3d transition metals (Sc-Zn). We demonstrate that it is possible to find ferromagnetic coupling for many of them and in particular for the early transition metals giving rise to high moment. Cr and Mn are the only elements able to produce a significant ferromagnetic coupling for thicker spacer layers. We also present experimental results on two trilayer systems Fe/Sc/Gd and Fe/Mn/Gd. From the experiments, we confirm a ferromagnetic coupling between Fe and Gd across a 3 monolayers Sc spacer or a Mn spacer thicker than 1 monolayer. In addition, we observe a peculiar dependence of Fe/Gd magnetic coupling on the Mn spacer thickness. PMID:27381456

  2. Microscopic magnetic nature of K2NiF4-type 3d transition metal oxides

    NASA Astrophysics Data System (ADS)

    Sugiyama, J.; Nozaki, H.; Umegaki, I.; Higemoto, W.; Ansaldo, E. J.; Brewer, J. H.; Sakurai, H.; Kao, T.-H.; Yang, H.-D.; Månsson, M.

    2014-12-01

    In order to elucidate the magnetic nature of K2NiF4-type 3d transition metal oxides, we have measured μ+SR spectra for Sr2VO4, LaSrVO4, and Sr2CrO4 using powder samples. ZF- and wTF-μ+SR measurements propose that Sr2VO4 enters into the static antiferromagnetic (AF) order phase below 8 K. In addition, TF-μ+SR measurements evidence that the transition at 105 K is not magnetic but structural and/or electronic in origin. For LaSrVO4, static long-range order has not been observed down to 20 K, while, as T decreases from 145 K, wTF asymmetry starts to decrease below 60 K, suggesting the appearance and evolution of localized magnetic moments below 60 K. For Sr2CrO4, by contrast, both ZF- and wTF-μ+SR have confirmed the presence of antiferromagnetic order below 117 K, as predicted in the χ(T) curve.

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

    NASA Astrophysics Data System (ADS)

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

    2017-03-01

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

  4. Light-absorbent liquid immersion angled exposure for patterning 3D samples with vertical sidewalls

    NASA Astrophysics Data System (ADS)

    Kumagai, Shinya; Kubo, Hironori; Sasaki, Minoru

    2017-02-01

    To make photolithography patterns on 3D samples, the angled (inclined) exposure technique has been used so far. However, technological issues have emerged in making photolithography patterns on the surface of trench structures. The surface of the trench structures can be covered with a photoresist film by spray-coating but the photoresist film deposited on the sidewalls and bottom of the trench is generally thin. The thin photoresist film deposited inside the trench has been easily overdosed. Moreover, irregular patterns have frequently been formed by the light reflected inside the trench. In this study, we have developed liquid immersion photolithography using a light-absorbent material. The light-reflection inside the trench was suppressed. Various patterns were transferred in the photoresist film deposited on the trench structures which had an aspect ratio of 0.74. Compared to immersion photolithography using pure water under p-polarization light control, the light-absorbent liquid immersion photolithography developed here patterned well the surfaces of the trench sidewalls and bottom.

  5. Mobile 3D laser scanning technology application in the surveying of urban underground rail transit

    NASA Astrophysics Data System (ADS)

    Han, Youmei; Yang, Bogang; Zhen, Yinan

    2016-11-01

    Mobile 3D laser scanning technology is one hot kind of digital earth technology. 3D completion surveying is relative new concept in surveying and mapping. A kind of mobile 3D laser scanning system was developed for the urban underground rail 3D completion surveying. According to the characteristics of underground rail environment and the characters of the mobile laser scanning system, it designed a suitable test scheme to improving the accuracy of this kind of mobile laser scanning system when it worked under no GPS signal environment. Then it completed the application of this technology in the No.15 rail 3D completion surveying. Meanwhile a set of production process was made for the 3D completion surveying based on this kind of mobile 3D laser scanning technology. These products were also proved the efficiency of the new technology in the rail 3D completion surveying. Using mobile 3D laser scanning technology to complete underground rail completion surveying has been the first time in China until now. It can provide a reference for 3D measurement of rail completion surveying or the 3D completion surveying of other areas.

  6. Potentiometric and spectroscopic study of the interaction of 3d transition metal ions with inositol hexakisphosphate

    NASA Astrophysics Data System (ADS)

    Veiga, Nicolás; Macho, Israel; Gómez, Kerman; González, Gabriel; Kremer, Carlos; Torres, Julia

    2015-10-01

    Among myo-inositol phosphates, the most abundant in nature is the myo-inositol hexakisphosphate, InsP6. Although it is known to be vital to cell functioning, the biochemical research into its metabolism needs chemical and structural analysis of all the protonation, complexation and precipitation processes that it undergoes in the biological media. In view of its high negative charge at physiological level, our group has been leading a thorough research into the InsP6 chemical and structural behavior in the presence of the alkali and alkaline earth metal ions essential for life. The aim of this article is to extend these studies, dealing with the chemical and structural features of the InsP6 interaction with biologically relevant 3d transition metal ions (Fe(II), Fe(III), Mn(II), Co(II), Ni(II), Cu(II) and Zn(II)), in a non-interacting medium and under simulated physiological conditions. The metal-complex stability constants were determined by potentiometry, showing under ligand-excess conditions the formation of mononuclear species in different protonation states. Under metal ion excess, polymetallic species were detected for Fe(II), Fe(III), Zn(II) and Cu(II). Additionally, the 31P NMR and UV-vis spectroscopic studies provided interesting structural aspects of the strong metal ion-InsP6 interaction.

  7. 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}|.

  8. Vestige of T = 0 jamming transition at finite temperature in 3D

    NASA Astrophysics Data System (ADS)

    Caswell, Thomas; Gardel, Margaret; Nagel, Sidney; Zhang, Zexin; Yodh, Arjun

    2012-02-01

    When a random packing of spheres at T = 0 is compressed to the jamming transition, the system becomes rigid and the first peak of the pair-correlation function, g(r), diverges [1]. We study the manifestation of this signature and the associated particle dynamics when the temperature, T, is no longer negligible. To this end, we employ a three-dimensional packing of monodisperse, micron-size, colloids made from n-isopropyl acrylimide (NIPAM). NIPAM particles change size and hence the packing fraction of the system in response to environmental temperature. Thus by changing sample temperature we can probe all packing fractions of interest using a single sample. These particles are compressible so the system can reach packing fractions and configurations inaccessible to hard colloids. We observe a vestige of the T = 0 divergence as a maximum in the first peak of g(r) versus packing fraction coincident with dynamical arrest of the particles. The general features in 3D are in agreement with a previous study in a two-dimensional bi-disperse NIPAM system [2]. We report the dependence of g(r) and particle motion on packing fraction. [1] C. S. O'Hern, et al., Phys. Rev. E 68, 011306 (2003). [2] Z. Zhang, N. Xu, et al., Nature 459, 230 (2009).

  9. Light-directing chiral liquid crystal nanostructures: from 1D to 3D.

    PubMed

    Bisoyi, Hari Krishna; Li, Quan

    2014-10-21

    Endowing external, remote, and dynamic control to self-organized superstructures with desired functionalities is a principal driving force in the bottom-up nanofabrication of molecular devices. Light-driven chiral molecular switches or motors in liquid crystal (LC) media capable of self-organizing into optically tunable one-dimensional (1D) and three-dimensional (3D) superstructures represent such an elegant system. As a consequence, photoresponsive cholesteric LCs (CLCs), i.e., self-organized 1D helical superstructures, and LC blue phases (BPs), i.e., self-organized 3D periodic cubic lattices, are emerging as a new generation of multifunctional supramolecular 1D and 3D photonic materials in their own right because of their fundamental academic interest and technological significance. These smart stimuli-responsive materials can be facilely fabricated from achiral LC hosts by the addition of a small amount of a light-driven chiral molecular switch or motor. The photoresponsiveness of these materials is a result of both molecular interaction and geometry changes in the chiral molecular switch upon light irradiation. The doped photoresponsive CLCs undergo light-driven pitch modulation and/or helix inversion, which has many applications in color filters, polarizers, all-optical displays, optical lasers, sensors, energy-saving smart devices, and so on. Recently, we have conceptualized and rationally synthesized different light-driven chiral molecular switches that have very high helical twisting powers (HTPs) and exhibit large changes in HTP in different states, thereby enabling wide phototunability of the systems by the addition of very small amounts of the molecular switches into commercially available achiral LCs. The light-driven chiral molecular switches are based on well-recognized azobenzene, dithienylcyclopentene, and spirooxazine derivatives. We have demonstrated high-resolution and lightweight photoaddressable displays without patterned electronics on

  10. Observation of solid-solid transitions in 3D crystals of colloidal superballs

    NASA Astrophysics Data System (ADS)

    Meijer, Janne-Mieke; Pal, Antara; Ouhajji, Samia; Lekkerkerker, Henk N. W.; Philipse, Albert P.; Petukhov, Andrei V.

    2017-02-01

    Self-organization in anisotropic colloidal suspensions leads to a fascinating range of crystal and liquid crystal phases induced by shape alone. Simulations predict the phase behaviour of a plethora of shapes while experimental realization often lags behind. Here, we present the experimental phase behaviour of superball particles with a shape in between that of a sphere and a cube. In particular, we observe the formation of a plastic crystal phase with translational order and orientational disorder, and the subsequent transformation into rhombohedral crystals. Moreover, we uncover that the phase behaviour is richer than predicted, as we find two distinct rhombohedral crystals with different stacking variants, namely hollow-site and bridge-site stacking. In addition, for slightly softer interactions we observe a solid-solid transition between the two. Our investigation brings us one step closer to ultimately controlling the experimental self-assembly of superballs into functional materials, such as photonic crystals.

  11. Observation of solid–solid transitions in 3D crystals of colloidal superballs

    PubMed Central

    Meijer, Janne-Mieke; Pal, Antara; Ouhajji, Samia; Lekkerkerker, Henk N. W.; Philipse, Albert P.; Petukhov, Andrei V.

    2017-01-01

    Self-organization in anisotropic colloidal suspensions leads to a fascinating range of crystal and liquid crystal phases induced by shape alone. Simulations predict the phase behaviour of a plethora of shapes while experimental realization often lags behind. Here, we present the experimental phase behaviour of superball particles with a shape in between that of a sphere and a cube. In particular, we observe the formation of a plastic crystal phase with translational order and orientational disorder, and the subsequent transformation into rhombohedral crystals. Moreover, we uncover that the phase behaviour is richer than predicted, as we find two distinct rhombohedral crystals with different stacking variants, namely hollow-site and bridge-site stacking. In addition, for slightly softer interactions we observe a solid–solid transition between the two. Our investigation brings us one step closer to ultimately controlling the experimental self-assembly of superballs into functional materials, such as photonic crystals. PMID:28186101

  12. Thermal characterization of a liquid resin for 3D printing using photothermal techniques

    NASA Astrophysics Data System (ADS)

    Jiménez-Pérez, José L.; Pincel, Pavel Vieyra; Cruz-Orea, Alfredo; Correa-Pacheco, Zormy N.

    2016-05-01

    Thermal properties of a liquid resin were studied by thermal lens spectrometry (TLS) and open photoacoustic cell (OPC), respectively. In the case of the TLS technique, the two mismatched mode experimental configuration was used with a He-Ne laser, as a probe beam and an Argon laser was used as the excitation source. The characteristic time constant of the transient thermal lens was obtained by fitting the theoretical expression to the experimental data in order to obtain the thermal diffusivity ( α) of the resin. On the other hand, the sample thermal effusivity ( e) was obtained by using the OPC technique. In this technique, an Argon laser was used as the excitation source and was operated at 514 nm with an output power of 30 mW. From the obtained thermal diffusivity ( α) and thermal effusivity ( e) values, the thermal conductivity ( k) and specific heat capacity per unit volume ( ρc) of resin were calculated through the relationships k = e( α)1/2 and ρc = e/( α)1/2. The obtained thermal parameters were compared with the thermal parameters of the literature. To our knowledge, the thermal characterization of resin has not been reported until now. The present study has applications in laser stereo-lithography to manufacture 3D printing pieces.

  13. High-Performance Active Liquid Crystalline Shutters for Stereo Computer Graphics and Other 3-D Technologies

    NASA Astrophysics Data System (ADS)

    Sergan, Tatiana; Sergan, Vassili; MacNaughton, Boyd

    2007-03-01

    Stereoscopic computer displays create a 3-D image by alternating two separate images for each of the viewer's eyes. Field-sequential viewing systems supply each eye with the appropriate image by blocking the wrong image for the wrong eye. In our work, we have developed a new mode of operation of a liquid crystal shutter that provides for highly effective blockage of undesired images when the screen is viewed in all viewing directions and eliminates color shifts associated with long turn-off times. The goal was achieved by using a π-cell filled with low-rotational-viscosity and high-birefringence fluid and additional negative birefringence films with splay optic axis distribution. The shutter demonstrates a contrast ratio higher than 800:1 for head-on viewing and 10:1 in the viewing cone of about 45°. The relaxation time of the shutter does not exceed 2 ms and is the same for all three primary colors.

  14. Tensile strengths of polyamide based 3D printed polymers in liquid nitrogen

    NASA Astrophysics Data System (ADS)

    Cruz, P.; Shoemake, E. D.; Adam, P.; Leachman, J.

    2015-12-01

    Advances in additive manufacturing technology have made 3D printing a viable solution for many industries, allowing for the manufacture of designs that could not be made through traditional subtractive methods. Applicability of additive manufacturing in cryogenic applications is hindered, however, by a lack of accurate material properties information. Nylon is available for printing using fused deposition modeling (FDM) and selective laser sintering (SLS). We selected 5 SLS (DuraForm® EX, DuraForm® HST, DuraForm® PA, PA 640-GSL, and PA 840-GSL) and 2 FDM (Nylon 12, ULTEM) nylon variants based on the bulk material properties and printed properties at room temperature. Tensile tests were performed on five samples of each material while immersed in liquid nitrogen at approximately 77 Kelvin. Samples were tested in XY and, where available, Z printing directions to determine influence on material properties. Results show typical SLS and FDM nylon ultimate strength retention at 77 K, when compared to (extruded or molded) nylon ultimate strength.

  15. 3D Imaging of Brittle/Ductile transition of the crust beneath the resurgent calderas

    NASA Astrophysics Data System (ADS)

    Tizzani, P.; Castaldo, R.; Pepe, S.; Solaro, G.

    2012-04-01

    Rheology is a crucial factor to understand the mechanical behaviour and evolution of the crust in young and tectonically active belts. The aim of this paper is to investigate the rheological properties of the crust beneath resurgent calderas as Long Valley caldera (California USA) and Campi Flegrei (Southern Italy). Through the rheological proprieties of the calderas area, we highlight the driving process that determine the cut off of the local seismicity [K. Ito, 1993]. In this context, we consider the thermal proprieties and mechanical heterogeneity of the crust in order to develop a 3D conductive time dependent thermal model of the upper crust beneath the two calderas. More specifically we integrate geophysical information (gravimetric, seismic and boreholes data) available for the considered area in FEM environment [Manconi A. et al., 2010]. We performed a numerical solution of Fourier equation to carry out an advance optimization of the real measured data. We produce a set of forward models and propose, in order to analyse and solve the statistical problem, the Monte Carlo optimization procedures as Genetic Algorithm [Manconi A. et al., 2009]. In particular we search for the heat production, the volume source distribution and the surface emissivity parameters that providing the best-fit of the geothermal profiles data measured at boreholes, by solving the non stationary heat flow equation (Campanian Ignimbrite eruption about 40 kyr for Campi Flegrei caldera and Bishop tuff eruption about 700 kyr for Long Valley caldera). The performed thermal fields allow us to obtain the rheological stratification of the crust beneath two resurgent calderas; the models suggest that the uprising of a ductile layer which connects the upper mantle to the volcanic feeding system could determine the stress conditions that controlled the distribution of seismicity. In fact, the computed 3D imaging of Brittle/Ductile transition well agrees with the seismic hypocentral distribution

  16. Potential energy curves and electronic structure of 3d transition metal hydrides and their cations.

    PubMed

    Goel, Satyender; Masunov, Artëm E

    2008-12-07

    We investigate gas-phase neutral and cationic hydrides formed by 3d transition metals from Sc to Cu with density functional theory (DFT) methods. The performance of two exchange-correlation functionals, Boese-Martin for kinetics (BMK) and Tao-Perdew-Staroverov-Scuseria (TPSS), in predicting bond lengths and energetics, electronic structures, dipole moments, and ionization potentials is evaluated in comparison with available experimental data. To ensure a unique self-consistent field (SCF) solution, we use stability analysis, Fermi smearing, and continuity analysis of the potential energy curves. Broken-symmetry approach was adapted in order to get the qualitatively correct description of the bond dissociation. We found that on average BMK predicted values of dissociation energies and ionization potentials are closer to experiment than those obtained with high level wave function theory methods. This agreement deteriorates quickly when the fraction of the Hartree-Fock exchange in DFT functional is decreased. Natural bond orbital (NBO) population analysis was used to describe the details of chemical bonding in the systems studied. The multireference character in the wave function description of the hydrides is reproduced in broken-symmetry DFT description, as evidenced by NBO analysis. We also propose a new scheme to correct for spin contamination arising in broken-symmetry DFT approach. Unlike conventional schemes, our spin correction is introduced for each spin-polarized electron pair individually and therefore is expected to yield more accurate energy values. We derive an expression to extract the energy of the pure singlet state from the energy of the broken-symmetry DFT description of the low spin state and the energies of the high spin states (pentuplet and two spin-contaminated triplets in the case of two spin-polarized electron pairs). The high spin states are build with canonical natural orbitals and do not require SCF convergence.

  17. Electron impact excitation of Fe-peak elements: forbidden transitions in the 3d5 manifold of Fe IV

    NASA Astrophysics Data System (ADS)

    McLaughlin, B. M.; Hibbert, A.; Scott, M. P.; Noble, C. J.; Burke, V. M.; Burke, P. G.

    2005-06-01

    Electron-impact excitation collision strengths of the Fe-peak element Fe IV are calculated in the close-coupling approximation using the R-matrix suite of codes PRMAT designed for parallel processors. One hundred and eight LS-coupled states arising from the 3d5, 3d44s and 3d44p configurations of Fe IV, are retained in the present calculations. Detailed multi-configuration interaction target wavefunctions are used with the aid of 3p2 → 3d2 electron promotions and a \\rm 4\\overline{d} correlation orbital in the present calculations. Effective collision strengths for optically forbidden transitions, which are extremely important in the analysis of lines in the Fe IV spectra, are obtained by averaging the electron collision strengths for a wide range of incident electron energies, over a Maxwellian distribution of velocities. Results are presented for electron temperatures (Te in Kelvin) in the range 3.3 <= Log Te<= 6.0 applicable to many laboratory and astrophysical plasmas for transitions within the 3d5 manifold. The present results compared to previous investigations provide improved results for important lines in the Fe IV spectrum.

  18. The performance of semilocal and hybrid density functionals in 3d transition-metal chemistry

    NASA Astrophysics Data System (ADS)

    Furche, Filipp; Perdew, John P.

    2006-01-01

    We investigate the performance of contemporary semilocal and hybrid density functionals for bond energetics, structures, dipole moments, and harmonic frequencies of 3d transition-metal (TM) compounds by comparison with gas-phase experiments. Special attention is given to the nonempirical metageneralized gradient approximation (meta-GGA) of Tao, Perdew, Staroverov, and Scuseria (TPSS) [Phys. Rev. Lett. 91, 146401 (2003)], which has been implemented in TURBOMOLE for the present work. Trends and error patterns for classes of homologous compounds are analyzed, including dimers, monohydrides, mononitrides, monoxides, monofluorides, polyatomic oxides and halogenides, carbonyls, and complexes with organic π ligands such as benzene and cyclopentadienyl. Weakly bound systems such as Ca2, Mn2, and Zn2 are discussed. We propose a reference set of reaction energies for benchmark purposes. Our all-electron results with quadruple zeta valence basis sets validate semilocal density-functional theory as the workhorse of computational TM chemistry. Typical errors in bond energies are substantially larger than in (organic) main group chemistry, however. The Becke-Perdew'86 [Phys. Rev. A 38, 3098 (1988); Phys. Rev. B 33, 8822 (1986)] GGA and the TPSS meta-GGA have the best price/performance ratio, while the TPSS hybrid functional achieves a slightly lower mean absolute error in bond energies. The popular Becke three-parameter hybrid B3LYP underbinds significantly and tends to overestimate bond distances; we give a possible explanation for this. We further show that hybrid mixing does not reduce the width of the error distribution on our reference set. The error of a functional for the s-d transfer energy of a TM atom does not predict its error for TM bond energies and bond lengths. For semilocal functionals, self-interaction error in one- and three-electron bonds appears to be a major source of error in TM reaction energies. Nevertheless, TPSS predicts the correct ground

  19. Ground-based Transit Observation of the Habitable-zone Super-Earth K2-3d

    NASA Astrophysics Data System (ADS)

    Fukui, Akihiko; Livingston, John; Narita, Norio; Hirano, Teruyuki; Onitsuka, Masahiro; Ryu, Tsuguru; Kusakabe, Nobuhiko

    2016-12-01

    We report the first ground-based transit observation of K2-3d, a 1.5 R ⊕ planet supposedly within the habitable zone around a bright M-dwarf host star, using the Okayama 188 cm telescope and the multi(grz)-band imager MuSCAT. Although the depth of the transit (0.7 mmag) is smaller than the photometric precisions (1.2, 0.9, and 1.2 mmag per 60 s for the g, r, and z bands, respectively), we marginally but consistently identify the transit signal in all three bands, by taking advantage of the transit parameters from K2, and by introducing a novel technique that leverages multi-band information to reduce the systematics caused by second-order extinction. We also revisit previously analyzed Spitzer transit observations of K2-3d to investigate the possibility of systematic offsets in transit timing, and find that all the timing data can be explained well by a linear ephemeris. We revise the orbital period of K2-3d to be 44.55612 ± 0.00021 days, which corrects the predicted transit times for 2019, i.e., the era of the James Webb Space Telescope, by ∼80 minutes. Our observation demonstrates that (1) even ground-based, 2 m class telescopes can play an important role in refining the transit ephemeris of small-sized, long-period planets, and (2) a multi-band imager is useful to reduce the systematics of atmospheric origin, in particular for bluer bands and for observations conducted at low-altitude observatories.

  20. Dynamic particle accumulation structure (PAS) in half-zone liquid bridge Reconstruction of particle motion by 3-D PTV

    NASA Astrophysics Data System (ADS)

    Ueno, I.; Abe, Y.; Noguchi, K.; Kawamura, H.

    Three-dimensional (3-D) velocity field reconstruction of oscillatory thermocapillary convections in a half-zone liquid bridge with a radius of O (1 mm) was carried out by applying 3-D particle tracking velocimetry (PTV). Simultaneous observation of the particles suspended in the bridge by two CCD cameras was carried out by placing a small cubic beam splitter above a transparent top rod. The reconstruction of the 3-D trajectories and the velocity fields of the particles in the several types of oscillatory-flow regimes were conducted successfully for sufficiently long period without losing particle tracking. With this application the present authors conducted a series of experiments focusing upon the collapse and re-formation process of the PAS by mechanically disturbing fully developed PAS.

  1. Epithelial-to-mesenchymal transition in pancreatic ductal adenocarcinoma: Characterization in a 3D-cell culture model

    PubMed Central

    Gagliano, Nicoletta; Celesti, Giuseppe; Tacchini, Lorenza; Pluchino, Stefano; Sforza, Chiarella; Rasile, Marco; Valerio, Vincenza; Laghi, Luigi; Conte, Vincenzo; Procacci, Patrizia

    2016-01-01

    AIM: To analyze the effect of three-dimensional (3D)-arrangement on the expression of epithelial-to-mesenchymal transition markers in pancreatic adenocarcinoma (PDAC) cells. METHODS: HPAF-II, HPAC, and PL45 PDAC cells were cultured in either 2D-monolayers or 3D-spheroids. Ultrastructure was analyzed by transmission electron microscopy. The expression of E-cadherin, β-catenin, N-cadherin, collagen type I (COL-I), vimentin, α-smooth muscle actin (αSMA), and podoplanin was assayed by confocal microscopy in cells cultured on 12-mm diameter round coverslips and in 3D-spheroids. Gene expression for E-cadherin, Snail, Slug, Twist, Zeb1, and Zeb2 was quantified by real-time PCR. E-cadherin protein level and its electrophoretic pattern were studied by Western blot in cell lysates obtained from cells grown in 2D-monolayers and 3D-spheroids. RESULTS: The E-cadherin/β-catenin complex was expressed in a similar way in plasma membrane cell boundaries in both 2D-monolayers and 3D-spheroids. E-cadherin increased in lysates obtained from 3D-spheroids, while cleavage fragments were more evident in 2D-monolayers. N-cadherin expression was observed in very few PDAC cells grown in 2D-monolayers, but was more evident in 3D-spheroids. Some cells expressing COL-I were observed in 3D-spheroids. Podoplanin, expressed in collectively migrating cells, and αSMA were similarly expressed in both experimental conditions. The concomitant maintenance of the E-cadherin/β-catenin complex at cell boundaries supports the hypothesis of a collective migration for these cells, which is consistent with podoplanin expression. CONCLUSION: We show that a 3D-cell culture model could provide deeper insight into understanding the biology of PDAC and allow for the detection of marked differences in the phenotype of PDAC cells grown in 3D-spheroids. PMID:27182158

  2. Atomic-layer alignment tuning for giant perpendicular magnetocrystalline anisotropy of 3d transition-metal thin films.

    PubMed

    Hotta, K; Nakamura, K; Akiyama, T; Ito, T; Oguchi, T; Freeman, A J

    2013-06-28

    The magnetocrystalline anisotropy (MA) of Fe-based transition-metal thin films, consisting of only magnetic 3d elements, was systematically investigated from full-potential linearized augmented plane-wave calculations. The results predict that giant MA with a perpendicular magnetic easy axis (PMA) can be achieved by tuning the atomic-layer alignments in an Fe-Ni thin film. This giant PMA arises from the spin-orbit coupling interaction between occupied and unoccupied Ni dx2-y2,xy bands crossing the Fermi level. A promising 3d transition-metal thin film for the MgO-based magnetic tunnel junctions with the giant PMA was, thus, demonstrated.

  3. Liquid-Liquid Phase Transition and Glass Transition in a Monoatomic Model System

    PubMed Central

    Xu, Limei; Buldyrev, Sergey V.; Giovambattista, Nicolas; Stanley, H. Eugene

    2010-01-01

    We review our recent study on the polyamorphism of the liquid and glass states in a monatomic system, a two-scale spherical-symmetric Jagla model with both attractive and repulsive interactions. This potential with a parametrization for which crystallization can be avoided and both the glass transition and the liquid-liquid phase transition are clearly separated, displays water-like anomalies as well as polyamorphism in both liquid and glassy states, providing a unique opportunity to study the interplay between the liquid-liquid phase transition and the glass transition. Our study on a simple model may be useful in understanding recent studies of polyamorphism in metallic glasses. PMID:21614201

  4. The accuracy of a 2D and 3D dendritic tip scaling parameter in predicting the columnar to equiaxed transition (CET)

    NASA Astrophysics Data System (ADS)

    Seredyński, M.; Rebow, M.; Banaszek, J.

    2016-09-01

    The dendrite tip kinetics model accuracy relies on the reliability of the stability constant used, which is usually experimentally determined for 3D situations and applied to 2D models. The paper reports authors' attempts to cure the situation by deriving 2D dendritic tip scaling parameter for aluminium-based alloy: Al-4wt%Cu. The obtained parameter is then incorporated into the KGT dendritic growth model in order to compare it with the original 3D KGT counterpart and to derive two-dimensional and three-dimensional versions of the modified Hunt's analytical model for the columnar-to-equiaxed transition (CET). The conclusions drawn from the above analysis are further confirmed through numerical calculations of the two cases of Al-4wt%Cu metallic alloy solidification using the front tracking technique. Results, including the porous zone-under-cooled liquid front position, the calculated solutal under-cooling and a new predictor of the relative tendency to form an equiaxed zone, are shown, compared and discussed two numerical cases. The necessity to calculate sufficiently precise values of the tip scaling parameter in 2D and 3D is stressed.

  5. Observation of 2p3d(1Po)→1s3d(1De) radiative transition in He-like Si, S, and Cl ions.

    PubMed

    Kasthurirangan, S; Saha, J K; Agnihotri, A N; Bhattacharyya, S; Misra, D; Kumar, A; Mukherjee, P K; Santos, J P; Costa, A M; Indelicato, P; Mukherjee, T K; Tribedi, L C

    2013-12-13

    We present an experimental determination of the 2p3d(1Po)→1s3d(1De) x-ray line emitted from He-like Si, S, and Cl projectile ions, excited in collisions with thin carbon foils, using a high-resolution bent-crystal spectrometer. A good agreement between the observation and state-of-the-art relativistic calculations using the multiconfiguration Dirac-Fock formalism including the Breit interaction and QED effects implies the dominance of fluorescent decay over the autoionization process for the 2p3d(^{1}P^{o}) state of He-like heavy ions. This is the first observation of the fluorescence-active doubly excited states in He-like Si, S, and Cl ions.

  6. A 3D Optical Surface Profilometer Using a Dual-Frequency Liquid Crystal-Based Dynamic Fringe Pattern Generator

    PubMed Central

    Joo, Kyung-Il; Kim, Mugeon; Park, Min-Kyu; Park, Heewon; Kim, Byeonggon; Hahn, JoonKu; Kim, Hak-Rin

    2016-01-01

    We propose a liquid crystal (LC)-based 3D optical surface profilometer that can utilize multiple fringe patterns to extract an enhanced 3D surface depth profile. To avoid the optical phase ambiguity and enhance the 3D depth extraction, 16 interference patterns were generated by the LC-based dynamic fringe pattern generator (DFPG) using four-step phase shifting and four-step spatial frequency varying schemes. The DFPG had one common slit with an electrically controllable birefringence (ECB) LC mode and four switching slits with a twisted nematic LC mode. The spatial frequency of the projected fringe pattern could be controlled by selecting one of the switching slits. In addition, moving fringe patterns were obtainable by applying voltages to the ECB LC layer, which varied the phase difference between the common and the selected switching slits. Notably, the DFPG switching time required to project 16 fringe patterns was minimized by utilizing the dual-frequency modulation of the driving waveform to switch the LC layers. We calculated the phase modulation of the DFPG and reconstructed the depth profile of 3D objects using a discrete Fourier transform method and geometric optical parameters. PMID:27801812

  7. Spectroscopic Investigation of the Odd-Parity 3 d 2 D → nf 2 F Transitions of Neutral Sodium

    NASA Astrophysics Data System (ADS)

    Nadeem, A.; Shah, M.; Shahzada, S.; Ahmed, M.; Haq, S. U.

    2015-11-01

    We report new experimental data on term energies and effective quantum numbers of the odd parity Rydberg states of sodium in the 40687-41408 cm-1 energy range. The experiment was performed using a two-color scheme of three-photon laser excitation in conjunction with a thermionic diode ion detector. The new observation includes much extended nf 2 F (12 ≤ n ≤ 51) series excited from the 3 d 2 D intermediate state. In addition, oscillator strengths of the 3 d 2 D → nf 2 F (16 ≤ n ≤ 45) Rydberg transitions have been determined and a complete picture is presented from n = 4-45 incorporating the present work and earlier computed results.

  8. The reversibility and first-order nature of liquid-liquid transition in a molecular liquid

    NASA Astrophysics Data System (ADS)

    Kobayashi, Mika; Tanaka, Hajime

    2016-11-01

    Liquid-liquid transition is an intriguing phenomenon in which a liquid transforms into another liquid via the first-order transition. For molecular liquids, however, it always takes place in a supercooled liquid state metastable against crystallization, which has led to a number of serious debates concerning its origin: liquid-liquid transition versus unusual nano-crystal formation. Thus, there have so far been no single example free from such debates, to the best of our knowledge. Here we show experimental evidence that the transition is truly liquid-liquid transition and not nano-crystallization for a molecular liquid, triphenyl phosphite. We kinetically isolate the reverse liquid-liquid transition from glass transition and crystallization with a high heating rate of flash differential scanning calorimetry, and prove the reversibility and first-order nature of liquid-liquid transition. Our finding not only deepens our physical understanding of liquid-liquid transition but may also initiate a phase of its research from both fundamental and applications viewpoints.

  9. An Air-Liquid Interface Culture System for 3D Organoid Culture of Diverse Primary Gastrointestinal Tissues.

    PubMed

    Li, Xingnan; Ootani, Akifumi; Kuo, Calvin

    2016-01-01

    Conventional in vitro analysis of gastrointestinal epithelium usually relies on two-dimensional (2D) culture of epithelial cell lines as monolayer on impermeable surfaces. However, the lack of context of differentiation and tissue architecture in 2D culture can hinder the faithful recapitulation of the phenotypic and morphological characteristics of native epithelium. Here, we describe a robust long-term three-dimensional (3D) culture methodology for gastrointestinal culture, which incorporates both epithelial and mesenchymal/stromal components into a collagen-based air-liquid interface 3D culture system. This system allows vigorously expansion of primary gastrointestinal epithelium for over 60 days as organoids with both proliferation and multilineage differentiation, indicating successful long-term intestinal culture within a microenvironment accurately recapitulating the stem cell niche.

  10. 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.

  11. Transition from Paris dosimetry system to 3D image-guided planning in interstitial breast brachytherapy

    PubMed Central

    Wronczewska, Anna; Kabacińska, Renata; Makarewicz, Roman

    2015-01-01

    Purpose The purpose of this study is to evaluate our first experience with 3D image-guided breast brachytherapy and to compare dose distribution parameters between Paris dosimetry system (PDS) and image-based plans. Material and methods First 49 breast cancer patients treated with 3D high-dose-rate interstitial brachytherapy as a boost were selected for the study. Every patient underwent computed tomography, and the planning target volume (PTV) and organs at risk (OAR) were outlined. Two treatment plans were created for every patient. First, based on a Paris dosimetry system (PDS), and the second one, imaged-based plan with graphical optimization (OPT). The reference isodose in PDS implants was 85%, whereas in OPT plans the isodose was chosen to obtain proper target coverage. Dose and volume parameters (D90, D100, V90, V100), doses at OARs, total reference air kerma (TRAK), and quality assurance parameters: dose nonuniformity ratio (DNR), dose homogeneity index (DHI), and conformity index (COIN) were used for a comparison of both plans. Results The mean number of catheters was 7 but the mean for 20 first patients was 5 and almost 9 for the next 29 patients. The mean value of prescribed isodose for OPT plans was 73%. The mean D90 was 88.2% and 105.8%, the D100 was 59.8% and 75.7%, the VPTV90 was 88.6% and 98.1%, the VPTV100 was 79.9% and 98.9%, and the TRAK was 0.00375 Gym–1 and 0.00439 Gym–1 for the PDS and OPT plans, respectively. The mean DNR was 0.29 and 0.42, the DHI was 0.71 and 0.58, and the COIN was 0.68 and 0.76, respectively. Conclusions The target coverage in image-guided plans (OPT) was significantly higher than in PDS plans but the dose homogeneity was worse. Also, the value of TRAK increased because of change of prescribing isodose. The learning curve slightly affected our results. PMID:26816505

  12. Can symmetry transitions of complex fields enable 3-d control of fluid vorticity?

    SciTech Connect

    Martin, James E.; Solis, Kyle Jameson

    2015-08-01

    Methods of inducing vigorous noncontact fluid flow are important to technologies involving heat and mass transfer and fluid mixing, since they eliminate the need for moving parts, pipes and seals, all of which compromise system reliability. Unfortunately, traditional noncontact flow methods are few, and have limitations of their own. We have discovered two classes of fields that can induce fluid vorticity without requiring either gravity or a thermal gradient. The first class we call Symmetry-Breaking Rational Fields. These are triaxial fields comprised of three orthogonal components, two ac and one dc. The second class is Rational Triad Fields, which differ in that all three components are alternating. In this report we quantify the induced vorticity for a wide variety of fields and consider symmetry transitions between these field types. These transitions give rise to orbiting vorticity vectors, a technology for non-contact, non-stationary fluid mixing.

  13. Research on conflict detection algorithm in 3D visualization environment of urban rail transit line

    NASA Astrophysics Data System (ADS)

    Wang, Li; Xiong, Jing; You, Kuokuo

    2017-03-01

    In this paper, a method of collision detection is introduced, and the theory of three-dimensional modeling of underground buildings and urban rail lines is realized by rapidly extracting the buildings that are in conflict with the track area in the 3D visualization environment. According to the characteristics of the buildings, CSG and B-rep are used to model the buildings based on CSG and B-rep. On the basis of studying the modeling characteristics, this paper proposes to use the AABB level bounding volume method to detect the first conflict and improve the detection efficiency, and then use the triangular rapid intersection detection algorithm to detect the conflict, and finally determine whether the building collides with the track area. Through the algorithm of this paper, we can quickly extract buildings colliding with the influence area of the track line, so as to help the line design, choose the best route and calculate the cost of land acquisition in the three-dimensional visualization environment.

  14. Transition from Ignition to Flame Growth under External Radiation in Three Dimensions (TIGER-3D)

    NASA Technical Reports Server (NTRS)

    Kashiwagi, Takashi; Nakamura, Yuji; Olson, Sandra L.; Mell, William

    2004-01-01

    This study focuses on localized ignition by external radiant flux and subsequent flame growth over thin polymeric materials (plastic and paper) in microgravity. Two transition stages were observed. The first transition stage covers the period from the onset of ignition to the formation of stabilized flame near the ignited area. This is followed by the second transition of the flame growth stage from the initial stabilized flame to sustained fire growth away from the ignited area. For the first stage, ignition experiments of thin PMMA sheets were conducted using a CO2 laser as an external source in the 10 s drop tower. The results of front side surface ignition and of backside surface ignition were observed. The effects of imposed flow velocity, sample thickness, and ambient oxygen concentration on ignition are obtained. Numerical study was conducted to investigate to understand and predict ignition behavior observed in the experiments. For the second stage, numerical study is being conducted to describe the effects of gravity on heat release rate of a PMMA sheet. The gravity level was varied from zero to normal gravity. The preliminary results show that the maximum heat release occurs at around 0.02 g.

  15. 3d-transition metal induced enhancement of molecular hydrogen adsorption on Mg(0001) surface: An Ab-initio study

    NASA Astrophysics Data System (ADS)

    Banerjee, Paramita; Das, G. P.

    2016-05-01

    In our effort to do first principles design of suitable materials for hydrogen storage, we have explored the interaction characteristics of a hydrogen molecule with pure as well as a 3d-transition metal (TM) atom doped Mg(0001) surface using density functional theory (DFT) based approach. Doping of a 3d-TM atom by creating a vacancy on the top most layer of Mg(0001) surface, enhances the molecular hydrogen adsorption efficiency of this surface by ~ 6 times. The TM atom gains some charge from the defected site of the Mg(0001) surface, becomes anionic and adsorbs the hydrogen molecule via Anti Kubas-type interaction. The interaction energy of this H2 molecule, including van der Waals dispersion correction, turns out to be ~ 0.4 eV, which falls in the right energy window between physisorption and chemisorption. On full coverage of this 3d-TM atom doped Mg(0001) surface with hydrogen molecules, the gravimetric density of hydrogen has been estimated to be ~ 5.6 wt %, thereby satisfying the criteria set by the department of energy (DOE) for efficient hydrogen storage.

  16. Liquid-Liquid phase transition in a single component system

    NASA Astrophysics Data System (ADS)

    Franzese, Giancarlo; Skibinsky, Anna; Buldyrev, Sergey; Stanley, H. Eugene

    2001-06-01

    Recent experimental results indicate that phosphorus, a single-component system, can have a high-density liquid (HDL) and a low-density liquid (LDL) phase. A first-order LDL-HDL transition line ending in a critical point is consistent with experimental data and Molecular Dynamics (MD) simulations for a variety of single-component systems such as water, silica and carbon, but a coherent and general interpretation of the LDL-HDL transition is lacking. By means of MD, we show that the LDL-HDL transition can be directly related to an interaction potential with an attractive part and with not one but `two' preferred short-range repulsive distances. This kind of interaction is common to other single-component materials in the liquid state, in particular liquid metals. For the fisrt time, we show that the LDL-HDL transition can occur in systems with no density anomaly, opening an experimental challenge to uncover a liquid-liquid transition in systems like liquid metals, regardless of the presence of the density anomaly.

  17. Development of a cryo-FIB technique for the 3D structural characterization of liquid samples

    NASA Astrophysics Data System (ADS)

    Tsuchiya, M.; Iwahori, T.; Morikawa, A.; Sato, T.; Nagakubo, Y.

    2015-10-01

    The observation of three-dimensional distributions in some liquids or colloids is important, for example in cosmetics, functional paints and a catalyst. Furthermore, there is increasing demand to microscopically investigate the structures inside a liquid colloid, such as the interface of a dispersoid and dispersant. In order to meet these requirements, we have developed a cryo-transfer holder which is fully compatible between FIB and TEM/STEM. The cross section of frozen emulsions and a thin film sample were made by FIB-SEM (NB5000). As a result, the dispersion state of a dispersoid was observed by sequential FIB and SEM. Furthermore a 100nm thick sample was made by FIB and observed by 200 kV STEM (HD- 2700). The dispersoid (TiO2 and Fe2O3) morphology and distribution were shown at nanometer level.

  18. Extended depth-of-focus 3D micro integral imaging display using a bifocal liquid crystal lens.

    PubMed

    Shen, Xin; Wang, Yu-Jen; Chen, Hung-Shan; Xiao, Xiao; Lin, Yi-Hsin; Javidi, Bahram

    2015-02-15

    We present a three dimensional (3D) micro integral imaging display system with extended depth of focus by using a polarized bifocal liquid crystal lens. This lens and other optical components are combined as the relay optical element. The focal length of the relay optical element can be controlled to project an elemental image array in multiple positions with various lenslet image planes, by applying different voltages to the liquid crystal lens. The depth of focus of the proposed system can therefore be extended. The feasibility of our proposed system is experimentally demonstrated. In our experiments, the depth of focus of the display system is extended from 3.82 to 109.43 mm.

  19. Cadmium selenide quantum wires and the transition from 3D to 2D confinement.

    PubMed

    Yu, Heng; Li, Jingbo; Loomis, Richard A; Gibbons, Patrick C; Wang, Lin-Wang; Buhro, William E

    2003-12-31

    Soluble CdSe quantum wires are prepared by the solution-liquid-solid mechanism, using monodisperse bismith nanoparticles to catalyze wire growth. The quantum wires have micrometer lengths, diameters in the range of 5-20 nm, and diameter distributions of +/-10-20%. Spectroscopically determined wire band gaps compare closely to those calculated by the semiemipirical pseudopotential method, confirming 2D quantum confinement. The diameter dependence of the quantum wire band gaps is compared to that of CdSe quantum dots and rods. Quantum rod band gaps are shown to be delimited by the band gaps of dots and wires of like diameter, for short and long rods, respectively. The experimental data suggest that a length of ca. 30 nm is required for the third dimension of quantum confinement to fully vanish in CdSe rods. That length is about six times the bulk CdSe exciton Bohr radius.

  20. Generic mechanism for generating a liquid-liquid phase transition

    NASA Astrophysics Data System (ADS)

    Franzese, Giancarlo; Malescio, Gianpietro; Skibinsky, Anna; Buldyrev, Sergey V.; Stanley, H. Eugene

    2001-02-01

    Recent experimental results indicate that phosphorus-a single-component system-can have a high-density liquid (HDL) and a low-density liquid (LDL) phase. A first-order transition between two liquids of different densities is consistent with experimental data for a variety of materials, including single-component systems such as water, silica and carbon. Molecular dynamics simulations of very specific models for supercooled water, liquid carbon and supercooled silica predict a LDL-HDL critical point, but a coherent and general interpretation of the LDL-HDL transition is lacking. Here we show that the presence of a LDL and a HDL can be directly related to an interaction potential with an attractive part and two characteristic short-range repulsive distances. This kind of interaction is common to other single-component materials in the liquid state (in particular, liquid metals), and such potentials are often used to describe systems that exhibit a density anomaly. However, our results show that the LDL and HDL phases can occur in systems with no density anomaly. Our results therefore present an experimental challenge to uncover a liquid-liquid transition in systems like liquid metals, regardless of the presence of a density anomaly.

  1. Synthesis, characterization and antifungal activities of 3d-transition metal complexes of 1-acetylpiperazinyldithioc arbamate, M(acpdtc) 2

    NASA Astrophysics Data System (ADS)

    Mohammad, Ali; Varshney, Charu; Nami, Shahab A. A.

    2009-07-01

    A series of mononuclear 3d-transition metal complexes of the type M(acpdtc) 2 have been synthesized (where acpdtc = 1-acetylpiperazinyldithiocarbamate, M = Mn(II), Fe(II), Co(II), Ni(II) and Cu(II)). The ligand and its complexes have been characterized by micro analysis (CHNS), TG/DSC, FT-IR, UV-vis, 1H NMR, magnetic susceptibility and conductance measurements. On the basis IR spectroscopy a symmetrical bidentate coordination has been observed for the 1-acetylpiperazinyldithiocarbamate moiety in all the complexes. On the basis of UV-vis spectra and magnetic susceptibility measurement a square-planar geometry has been proposed for the Ni(II) and Cu(II) complexes while the other complexes have been found to acquire a distorted-tetrahedral structure. The thermogravimetric and differential scanning calorimetric profile of the ligand indicates a two-step decomposition pattern while the complexes exhibit a three-stage thermogram forming metal sulfide as the eventual end product. The molar conductivity data of 1 mM solution in DMSO of the complexes is in close accord to their non-electrolytic behaviour. The ligand and its 3d-transition metal complexes have also been tested for their antifungicidal activity by agar well diffusion method using Fusarium sp. and Sclerotina sp. The maximum activity has been observed in case of Mn(II) and Fe(II) complexes.

  2. A liquid-liquid transition can exist in monatomic transition metals with a positive melting slope

    PubMed Central

    Lee, Byeongchan; Lee, Geun Woo

    2016-01-01

    Liquid-liquid transitions under high pressure are found in many elemental materials, but the transitions are known to be associated with either sp-valent materials or f-valent rare-earth elements, in which the maximum or a negative slope in the melting line is readily suggestive of the transition. Here we find a liquid-liquid transition with a positive melting slope in transition metal Ti from structural, electronic, and thermodynamic studies using ab-initio molecular dynamics calculations, showing diffusion anomaly, but no density anomaly. The origin of the transition in liquid Ti is a pressure-induced increase of local structures containing very short bonds with directionality in electronic configurations. This behavior appears to be characteristic of the early transition metals. In contrast, the late transition metal liquid Ni does not show the L-L transition with pressure. This result suggests that the possibility of the L-L transition decreases from early to late transition metals as electronic structures of late transition metals barely have a Jahn-Teller effect and bond directionality. Our results generalize that a phase transition in disordered materials is found with any valence band regardless of the sign of the melting slope, but related to the symmetry of electronic structures of constituent elements. PMID:27762334

  3. A liquid-liquid transition can exist in monatomic transition metals with a positive melting slope

    NASA Astrophysics Data System (ADS)

    Lee, Byeongchan; Lee, Geun Woo

    2016-10-01

    Liquid-liquid transitions under high pressure are found in many elemental materials, but the transitions are known to be associated with either sp-valent materials or f-valent rare-earth elements, in which the maximum or a negative slope in the melting line is readily suggestive of the transition. Here we find a liquid-liquid transition with a positive melting slope in transition metal Ti from structural, electronic, and thermodynamic studies using ab-initio molecular dynamics calculations, showing diffusion anomaly, but no density anomaly. The origin of the transition in liquid Ti is a pressure-induced increase of local structures containing very short bonds with directionality in electronic configurations. This behavior appears to be characteristic of the early transition metals. In contrast, the late transition metal liquid Ni does not show the L-L transition with pressure. This result suggests that the possibility of the L-L transition decreases from early to late transition metals as electronic structures of late transition metals barely have a Jahn-Teller effect and bond directionality. Our results generalize that a phase transition in disordered materials is found with any valence band regardless of the sign of the melting slope, but related to the symmetry of electronic structures of constituent elements.

  4. Linear and nonlinear instability and ligament dynamics in 3D laminar two-layer liquid/liquid flows

    NASA Astrophysics Data System (ADS)

    Ó Náraigh, Lennon; Valluri, Prashant; Scott, David; Bethune, Iain; Spelt, Peter

    2013-11-01

    We consider the linear and nonlinear stability of two-phase density-matched but viscosity contrasted fluids subject to laminar Poiseuille flow in a channel, paying particular attention to the formation of three-dimensional waves. The Orr-Sommerfeld-Squire analysis is used along with DNS of the 3D two-phase Navier-Stokes equations using our newly launched TPLS Solver (http://edin.ac/10cRKzS). For the parameter regimes considered, we demonstrate the existence of two distinct mechanisms whereby 3D waves enter the system, and dominate at late time. There exists a direct route, whereby 3D waves are amplified by the standard linear mechanism; for certain parameter classes, such waves grow at a rate less than but comparable to that of most-dangerous two-dimensional mode. Additionally, there is a weakly nonlinear route, whereby a purely spanwise wave couples to a streamwise mode and grows exponentially. We demonstrate these mechanisms in isolation and in concert. Consideration is also given to the ultimate state of these waves: persistent three-dimensional nonlinear waves are stretched and distorted by the base flow, thereby producing regimes of ligaments, ``sheets,'' or ``interfacial turbulence.'' HECToR RAP/dCSE Project e174, HPC-Europa 2.

  5. Quantum transport in 3D Weyl semimetals: Is there a metal-insulator transition?

    NASA Astrophysics Data System (ADS)

    Ziegler, Klaus

    2016-12-01

    We calculate the transport properties of three-dimensional Weyl fermions in a disordered environment. The resulting conductivity depends only on the Fermi energy and the scattering rate. First we study the conductivity at the spectral node for a fixed scattering rate and obtain a continuous transition from an insulator at weak disorder to a metal at stronger disorder. Within the self-consistent Born approximation the scattering rate depends on the Fermi energy. Then it is crucial that the limits of the conductivity for a vanishing Fermi energy and a vanishing scattering rate do not commute. As a result, there is also metallic behavior in the phase with vanishing scattering rate and only a quantum critical point remains as an insulating phase. The latter turns out to be a critical fixed point in terms of a renormalization-group flow.

  6. Giant perpendicular magnetocrystalline anisotropy of 3d transition-metal thin films on MgO

    SciTech Connect

    Nakamura, Kohji Ikeura, Yushi; Akiyama, Toru; Ito, Tomonori

    2015-05-07

    Magnetocrystalline anisotropy (MCA) of the Fe-based transition-metal thin films was investigated by means of first principles full-potential linearized augmented plane wave method. A giant perpendicular MCA (PMCA), up to 3 meV, was confirmed in a 7-layer Fe-Ni film/MgO(001), where an Fe{sub 2}/Ni/Fe/Ni/Fe{sub 2} atomic-layer alignment with a bcc-like-layer stacking and the Fe/MgO interfaces play key roles for leading to the large PMCA. Importantly, we find that the PMCA overcomes enough over the magnetic dipole-dipole anisotropy that favors the in-plane magnetization even when the film thickness increases.

  7. Flow transition with 2-D roughness elements in a 3-D channel

    NASA Technical Reports Server (NTRS)

    Liu, Zhining; Liu, Chaoquin; Mccormick, Stephen F.

    1993-01-01

    We develop a new numerical approach to study the spatially evolving instability of the streamwise dominant flow in the presence of roughness elements. The difficulty in handling the flow over the boundary surface with general geometry is removed by using a new conservative form of the governing equations and an analytical mapping. The numerical scheme uses second-order backward Euler in time, fourth-order central differences in all three spatial directions, and boundary-fitted staggered grids. A three-dimensional channel with multiple two-dimensional-type roughness elements is employed as the test case. Fourier analysis is used to decompose different Fourier modes of the disturbance. The results show that surface roughness leads to transition at lower Reynolds number than for smooth channels.

  8. Design of a 3D Digital Liquid Crystal Particle Thermometry and Velocimetry (3DDLCPT/V) System

    NASA Astrophysics Data System (ADS)

    Grothe, Rob; Rixon, Greg; Dabiri, Dana

    2007-11-01

    A novel 3D Digital Liquid Crystal Particle Thermometry and Velocimetry (3DDLCPT/V) system has been designed and fabricated. By combining 3D Defocusing Particle Image Velocimetry (3DDPIV) and Digital Particle Image Thermometry (DPIT) into one system, this technique provides simultaneous temperature and velocity data using temperature-sensitive liquid crystal particles (LCP) as flow sensors. A custom water-filled prism corrects for astigmatism caused by off-axis imaging. New optics equations are derived to account for multi-surface refractions. This redesign also maximizes the use of the CCD area to more efficiently image the volume of interest. Six CCD cameras comprise the imaging system, with three allocated for velocity measurements and three for temperature measurements. The cameras are optically aligned to sub-pixel accuracy using a precision grid and high-resolution translation stages. Two high-intensity custom-designed xenon flashlamps provide illumination. Temperature calibration of the LCP is then performed. These results and proof-of-concept experiments will be discussed in detail.

  9. Solid-liquid phase transition in argon

    NASA Technical Reports Server (NTRS)

    Tsang, T.; Tang, H. T.

    1978-01-01

    Starting from the Lennard-Jones interatomic potential, a modified cell theory has been used to describe the solid-liquid phase transition in argon. The cell-size variations may be evaluated by a self-consistent condition. With the inclusion of cell-size variations, the transition temperature, the solid and liquid densities, and the liquid-phase radial-distribution functions have been calculated. These ab initio results are in satisfactory agreement with molecular-dynamics calculations as well as experimental data on argon.

  10. Density Functional Theory of Open-Shell Systems. The 3d-Series Transition-Metal Atoms and Their Cations.

    PubMed

    Luo, Sijie; Averkiev, Boris; Yang, Ke R; Xu, Xuefei; Truhlar, Donald G

    2014-01-14

    The 3d-series transition metals (also called the fourth-period transition metals), Sc to Zn, are very important in industry and biology, but they provide unique challenges to computing the electronic structure of their compounds. In order to successfully describe the compounds by theory, one must be able to describe their components, in particular the constituent atoms and cations. In order to understand the ingredients required for successful computations with density functional theory, it is useful to examine the performance of various exchange-correlation functionals; we do this here for 4s(N)3d(N') transition-metal atoms and their cations. We analyze the results using three ways to compute the energy of the open-shell states: the direct variational method, the weighted-averaged broken symmetry (WABS) method, and a new broken-symmetry method called the reinterpreted broken symmetry (RBS) method. We find the RBS method to be comparable in accuracy with the WABS method. By examining the overall accuracy in treating 18 multiplicity-changing excitations and 10 ionization potentials with the RBS method, 10 functionals are found to have a mean-unsigned error of <5 kcal/mol, with ωB97X-D topping the list. For local density functionals, which are more practical for extended systems, the M06-L functional is the most accurate. And by combining the results with our previous studies of p-block and 4d-series elements as well as databases for alkyl bond dissociation, main-group atomization energies, and π-π noncovalent interactions, we find five functionals, namely, PW6B95, MPW1B95, M08-SO, SOGGA11-X, and MPWB1K, to be highly recommended. We also studied the performance of PW86 and C09 exchange functionals, which have drawn wide interest in recent studies due to their claimed ability to reproduce Hartree-Fock exchange at long distance. By combining them with four correlation functionals, we find the performance of the resulting functionals disappointing both for 3d

  11. Heterobimetallic coordination polymers involving 3d metal complexes and heavier transition metals cyanometallates

    SciTech Connect

    Peresypkina, Eugenia V.; Samsonenko, Denis G.; Vostrikova, Kira E.

    2015-04-15

    The results of the first steps in the design of coordination polymers based on penta- and heptacyanometallates of heavier d transitions metals are presented. The 2D structure of the coordination polymers: [(Mn(acacen)){sub 2}Ru(NO)(CN){sub 5}]{sub n} and two complexes composed of different cyanorhenates, [Ni(cyclam)]{sub 2}[ReO(OH)(CN){sub 4}](ClO{sub 4}){sub 2}(H{sub 2}O){sub 1.25} and [Cu(cyclam)]{sub 2}[Re(CN){sub 7}](H{sub 2}O){sub 12}, was confirmed by single crystal XRD study, the rhenium oxidation state having been proved by the magnetic measurements. An amorphism of [M(cyclam)]{sub 3}[Re(CN){sub 7}]{sub 2} (M=Ni, Cu) polymers does not allow to define strictly their dimensionality and to model anisotropic magnetic behavior of the compounds. However, with high probability a honey-comb like layer structure could be expected for [M(cyclam)]{sub 3}[Re(CN){sub 7}]{sub 2} complexes, studied in this work, because such an arrangement is the most common among the bimetallic assemblies of hexa- and octacyanometallates with a ratio [M(cyclam)]/[M(CN){sub n}]=3/2. For the first time was prepared and fully characterized a precursor (n-Bu{sub 4}N){sub 2}[Ru(NO)(CN){sub 5}], soluble in organic media. - Graphical abstract: The very first results in the design of 2D coordination polymers based on penta- and heptacyanometallates of 4d and5d transitions metals are presented. - Highlights: • Design of coordination polymers based on penta- and heptacyanometallates. • New Ru and Re cyanide based heterobimetallic coordination complexes. • Hydrolysis and ox/red processes involving [Re(CN){sub 7}]{sup 3+} during crystallization. • High magnetic anisotropy of [M(cyclam)]{sub 3}[Re(CN){sub 7}]{sub 2}(H{sub 2}O){sub n}, M=Cu, Ni, complexes.

  12. Towards autonomous locomotion: CPG-based control of smooth 3D slithering gait transition of a snake-like robot.

    PubMed

    Bing, Zhenshan; Cheng, Long; Chen, Guang; Röhrbein, Florian; Huang, Kai; Knoll, Alois

    2017-04-04

    Snake-like robots with 3D locomotion ability have significant advantages of adaptive travelling in diverse complex terrain over traditional legged or wheeled mobile robots. Despite numerous developed gaits, these snake-like robots suffer from unsmooth gait transitions by changing the locomotion speed, direction, and body shape, which would potentially cause undesired movement and abnormal torque. Hence, there exists a knowledge gap for snake-like robots to achieve autonomous locomotion. To address this problem, this paper presents the smooth slithering gait transition control based on a lightweight central pattern generator (CPG) model for snake-like robots. First, based on the convergence behavior of the gradient system, a lightweight CPG model with fast computing time was designed and compared with other widely adopted CPG models. Then, by reshaping the body into a more stable geometry, the slithering gait was modified, and studied based on the proposed CPG model, including the gait transition of locomotion speed, moving direction, and body shape. In contrast to sinusoid-based method, extensive simulations and prototype experiments finally demonstrated that smooth slithering gait transition can be effectively achieved using the proposed CPG-based control method without generating undesired locomotion and abnormal torque.

  13. Plasma Roughness for Transition Control in a 3-D Supersonic Boundary Layer

    NASA Astrophysics Data System (ADS)

    Schuele, Chan-Yong; Matlis, Eric; Corke, Thomas; Wilkinson, Stephen

    2011-11-01

    The design and use of patterned ``plasma roughness'' for control of transition to turbulence of the boundary layer with a supersonic free-stream is presented. The plasma roughness consisted of an azimuthal array of 20 nm thick electrodes that were equally spaced around the cone tip, just upstream of Branch I for cross-flow instability growth. The electrodes were part of a DBD arrangement that produced an azimuthally periodic stationary body force that acted on the flow. The azimuthal spacing of the electrodes was designed to either enhance the most amplified stationary mode growth (m = 45 in this case), or to excite a sub-critical mode number (m = 68) that was designed to suppress the most amplified mode. The experiment was performed on a 14° right-circular cone placed at a 4 .3° angle of attack in the NASA LaRC SLDT. Measurements consisted of azimuthal profiles of the total pressure just above the cone surface. These documented the mean flow distortion produced by the growing stationary cross-flow modes. Comparisons were made with and without the plasma roughness, as well as against passive patterned roughness with the same azimuthal mode numbers. The results indicated that the stationary cross-flow modes were receptive to the patterned plasma roughness, and that Retrans was increased. Supported under NASA Cooperative Agreement NNX08AB22A

  14. Tunable electronic and magnetic properties in stanene by 3d transition metal atoms absorption

    NASA Astrophysics Data System (ADS)

    Xing, Dan-Xu; Ren, Ceng-Ceng; Zhang, Shu-Feng; Feng, Yong; Chen, Xin-Lian; Zhang, Chang-Wen; Wang, Pei-Ji

    2017-03-01

    The electronic and magnetic properties of transition metal (TM) atoms (V, Cr, Mn, Fe, Co, Ni) adsorption on stanene are investigated by first-principles calculations. The results indicate that the TM atoms prefer to be relaxed on a H site on stanene except V atom which lies on the valley site. Fe-absorbed stanene is a spin gapless semiconductor with up-spin electron and down-spin hole carriers allowing the coexistence of charge current and the pure spin current. Co-absorbed stanene lies in the half metal phase. The V-, Cr-, Mn-, and Cu-absorbed stanene turn the stanene into metal, while Ni- and Zn-absorbed stanene open a narrow band gap. For V-, Cr-, Mn-, Fe-, and Co-absorbed stanene, the magnetic moment of the TM will survive while the Ni-, Cu-, and Zn-absorbed stanene will be non-magnetic material. These findings may have great potential in the design of new electrically controllable spintronic devices.

  15. Modeling liquid-liquid phase transitions and quasicrystal formation

    NASA Astrophysics Data System (ADS)

    Skibinsky, Anna

    In this thesis, studies which concern two different subjects related to phase transitions in fluids and crystalline solids are presented. Condensed matter formation, structure, and phase transitions are modeled using molecular dynamics simulations of simple discontinuous potentials with attractive and repulsive interactions. Novel phase diagrams are proposed for quasicrystals, crystals, and liquids. In the first part of the thesis, the formation of a quasicrystal in a two dimensional monodisperse system is investigated using molecular dynamics simulations of hard sphere particles interacting via a two-dimensional square-well potential. It is found that for certain values of the square-well parameters more than one stable crystalline phase can form. By quenching the liquid phase at a very low temperature, an amorphous phase is obtained. When this the amorphous phase is heated, a quasicrystalline structure with five-fold symmetry forms. From estimations of the Helmholtz potentials of the stable crystalline phases and of the quasicrystal, it is concluded that within a specific temperature range, the observed quasicrystal phase can be the stable phase. The second part of the thesis concerns a study of the liquid-liquid phase transition for a single-component system in three dimensions, interacting via an isotropic potential with a repulsive soft-core shoulder at short distance and an attractive well at an intermediate distance. The potential is similar to potentials used to describe such liquid systems as colloids, protein solutions, or liquid metals. It is shown that the phase diagram for such a potential can have two lines of first-order fluid-fluid phase transitions: one separating a gas and a low-density liquid (LDL), and another between the LDL and a high-density liquid (HDL). Both phase transition lines end in a critical point, a gas-LDL critical point and, depending on the potential parameters, either a gas-HDL critical point or a LDL-HDL critical point. A

  16. Along-axis transition between narrow and wide rifts: Insights from 3D numerical experiments

    NASA Astrophysics Data System (ADS)

    Koptev, Alexander; Calais, Eric; Burov, Evgueni; Leroy, Sylvie; Gerya, Taras

    2016-04-01

    Based on performed high-resolution rheologically consistent three-dimensional thermo-mechanical numerical models, we show that there is a significant difference in the influence of the rheological profile on rifting style in the case of dominant active (plume-activated) rifting compared to dominant passive (far-field tectonic stresses) rifting. Narrow rifting, conventionally attributed to cold strong lithosphere in passive rifting mode, may develop in weak hot ultra-stretched lithosphere during active rifting, after plume impingement on a tectonically pre-stressed lithosphere. In that case, initially ultra-wide small-amplitude rift patterns focus, in a few Myr, in large-scale faults that form a narrow rift. Also, wide rifting may develop during ultra-slow spreading of strong lithosphere, and "switch" to the narrow rifting upon plume impingement. For further understanding the mechanisms behind the interactions between the mantle plume and far-field stresses in case of realistic horizontally heterogeneous lithosphere, we have tested our models on the case of the central East African Rift system (EARS). The EARS south of the Ethiopian Rift Valley bifurcates in two branches (eastern, magma-rich and western, magma-poor) surrounding the strong Tanzanian craton. Broad zones of low seismic velocity observed throughout the upper mantle beneath the central part of the EARS are consistent with the spreading of a deep mantle plume. The extensional features and topographic expression of the Eastern rift varies significantly north-southward: in northern Kenya the area of deformation is very wide (some 150-250 km in E-W direction), to the south the rift narrows to 60-70 km, yet further to the south this localized deformation widens again. Here we investigate this transition between localized and wide rifting using thermo-mechanical numerical modeling that couples, in a dynamic sense, the rise of the upper mantle material with the deformation of the African lithosphere below the

  17. Modal liquid crystal devices in optical tweezing: 3D control and oscillating potential wells.

    PubMed

    Hands, Philip J W; Tatarkova, Svetlana A; Kirby, Andrew K; Love, Gordon D

    2006-05-15

    We investigate the use of liquid crystal (LC) adaptive optics elements to provide full 3 dimensional particle control in an optical tweezer. These devices are suitable for single controllable traps, and so are less versatile than many of the competing technologies which can be used to control multiple particles. However, they have the advantages of simplicity and light efficiency. Furthermore, compared to binary holographic optical traps they have increased positional accuracy. The transmissive LC devices could be retro-fitted to an existing microscope system. An adaptive modal LC lens is used to vary the z-focal position over a range of up to 100 mum and an adaptive LC beam-steering device is used to deflect the beam (and trapped particle) in the x-y plane within an available radius of 10 mum. Furthermore, by modifying the polarisation of the incident light, these LC components also offer the opportunity for the creation of dual optical traps of controllable depth and separation.

  18. Modal liquid crystal devices in optical tweezing: 3D control and oscillating potential wells

    NASA Astrophysics Data System (ADS)

    Hands, Philip J. W.; Tatarkova, Svetlana A.; Kirby, Andrew K.; Love, Gordon D.

    2006-05-01

    We investigate the use of liquid crystal (LC) adaptive optics elements to provide full 3 dimensional particle control in an optical tweezer. These devices are suitable for single controllable traps, and so are less versatile than many of the competing technologies which can be used to control multiple particles. However, they have the advantages of simplicity and light efficiency. Furthermore, compared to binary holographic optical traps they have increased positional accuracy. The transmissive LC devices could be retro-fitted to an existing microscope system. An adaptive modal LC lens is used to vary the z-focal position over a range of up to 100 μm and an adaptive LC beam-steering device is used to deflect the beam (and trapped particle) in the x-y plane within an available radius of 10 μm. Furthermore, by modifying the polarisation of the incident light, these LC components also offer the opportunity for the creation of dual optical traps of controllable depth and separation.

  19. Multigrid mapping and box relaxation for simulation of the whole process of flow transition in 3-D boundary layers

    SciTech Connect

    Liu, C.; Liu, Z.

    1994-12-31

    A new multilevel technology was developed in this study which provides a successful numerical simulation for the whole process of flow transition in 3-D flat plate boundary layers, including linear growth, secondary instability, breakdown, and transition on a relatively coarse grid with low CPU cost. A fourth-order finite difference scheme on stretched and staggered grids, a fully implicit time-marching technique, a semi-coarsening multigrid based on the so-called approximate line-box relaxation, and a buffer domain for the outflow boundary conditions were all employed for high-order accuracy, good stability, and fast convergence. A new fine-coarse-fine grid mapping technique was developed to catch the large eddies and represent main roles of small eddies to keep the code running after the laminar flow breaks down. The computational results are in good agreement with linear stability theory, secondary instability theory, and some experiments. The computation also reproduced the K-type and C-type transition observed by laboratory experiments. The CPU cost for a typical case is around 2-9 CRAY-YMP hours.

  20. Defect energetics and magnetic properties of 3 d-transition-metal-doped topological crystalline insulator SnTe

    NASA Astrophysics Data System (ADS)

    Wang, Na; Wang, JianFeng; Si, Chen; Gu, Bing-Lin; Duan, WenHui

    2016-08-01

    The introduction of magnetism in SnTe-class topological crystalline insulators is a challenging subject with great importance in the quantum device applications. Based on the first-principles calculations, we have studied the defect energetics and magnetic properties of 3 d transition-metal (TM)-doped SnTe. We find that the doped TM atoms prefer to stay in the neutral states and have comparatively high formation energies, suggesting that the uniform TMdoping in SnTe with a higher concentration will be difficult unless clustering. In the dilute doping regime, all the magnetic TMatoms are in the high-spin states, indicating that the spin splitting energy of 3 d TM is stronger than the crystal splitting energy of the SnTe ligand. Importantly, Mn-doped SnTe has relatively low defect formation energy, largest local magnetic moment, and no defect levels in the bulk gap, suggesting that Mn is a promising magnetic dopant to realize the magnetic order for the theoretically-proposed large-Chern-number quantum anomalous Hall effect (QAHE) in SnTe.

  1. Branching ratio and L2 + L3 intensities of 3d-transition metals in phthalocyanines and the amine complexes

    PubMed

    Koshino; Kurata; Isoda; Kobayashi

    2000-08-01

    L(2,3) inner-shell excitation spectra were obtained by electron energy-loss spectroscopy (EELS) for the divalent first transition series metals in phthalocyanine complexes (MPc) such as titanium oxide phthalocyanine (TiOPc), fluoro-chromium phthalocyanine (CrFPc), manganese phthalocyanine (MnPc), iron phthalocyanine (FePc), cobalt phthalocyanine (CoPc), nickel phthalocyanine (NiPc) and copper phthalocyanine (CuPc). It was found that the value of normalized total intensity of I(L2 + L3) was nearly proportional to the formal electron vacancies of each 3d-state, and the values of the branching ratio, I(L3)/I((L2 + L3), represented a high-spin-state rather than low-spin-state for MnPc, FePc and NiPc. EELS was also applied to charge-transfer complexes of FePc with an amine such as pyridine or gamma-picoline. It was concluded that their I(L2 + L3) intensity of Fe showed the decrease in vacancies of 3d-states on the formation of the charge-transfer complex with these amines, which suggests some electron transfer from the amine to Fe in phthalocyanine. The EELS study provides beneficial information for investigating the electronic states of the specific metal sites in organic materials.

  2. Exploration of the potential of liquid scintillators for real-time 3D dosimetry of intensity modulated proton beams

    PubMed Central

    Beddar, Sam; Archambault, Louis; Sahoo, Narayan; Poenisch, Falk; Chen, George T.; Gillin, Michael T.; Mohan, Radhe

    2009-01-01

    In this study, the authors investigated the feasibility of using a 3D liquid scintillator (LS) detector system for the verification and characterization of proton beams in real time for intensity and energy-modulated proton therapy. A plastic tank filled with liquid scintillator was irradiated with pristine proton Bragg peaks. Scintillation light produced during the irradiation was measured with a CCD camera. Acquisition rates of 20 and 10 frames per second (fps) were used to image consecutive frame sequences. These measurements were then compared to ion chamber measurements and Monte Carlo simulations. The light distribution measured from the images acquired at rates of 20 and 10 fps have standard deviations of 1.1% and 0.7%, respectively, in the plateau region of the Bragg curve. Differences were seen between the raw LS signal and the ion chamber due to the quenching effects of the LS and due to the optical properties of the imaging system. The authors showed that this effect can be accounted for and corrected by Monte Carlo simulations. The liquid scintillator detector system has a good potential for performing fast proton beam verification and characterization. PMID:19544791

  3. Effects of oxygen vacancy on 3d transition-metal doped anatase TiO2: First principles calculations

    NASA Astrophysics Data System (ADS)

    Zhao, Ya Fei; Li, Can; Lu, Song; Yan, Li Jin; Gong, Yin Yan; Niu, Leng Yuan; Liu, Xin Juan

    2016-03-01

    In this work, systematic study of the formation energy, crystalline and electronic structures of 3d transition metal (Sc, V, Cr, Mn, Fe, Co and Ni) doped anatase TiO2 specimens with and without oxygen vacancy has been carried out by the first principles calculations. The impurity states located at the band gaps enhance the visible light absorption, and the oxygen vacancy result in the EF move into the CB for some doped systems, which induce the Ti3+ ions and promote the separation of photogenerated carriers. Doping and oxygen vacancy can change the hybrid strength and MP value of TMsbnd O bonding which has the approximately linearly with the band gap.

  4. Spin splitting and reemergence of charge compensation in monolayer WTe2 by 3d transition-metal adsorption.

    PubMed

    Song, Yan; Wang, Xiaocha; Mi, Wenbo

    2017-03-15

    The semimetallic WTe2 has sparked intense interest owing to the non-saturating magnetoresistance, pressure-driven superconductivity and possession of type-II Weyl fermions. The unexpected and fascinating quantum properties are thought to be closely related to its delicate Fermi surface and a special electron-hole-pocket structure. However, in the single-layer limit, the electron-hole-pocket structure is missing owing to the lack of interlayer interaction. Herewith, we demonstrate that 3d transition-metal adsorption is an effective method to modify the electronic properties of monolayer WTe2 by density functional theory. Spin-splitting and spin-degenerate bands are realized in Ti-, V-, Cr-, Mn-, Fe-, and Co- and Sc-, Ni-, Cu-, and Zn-adsorbed systems, respectively. Especially, the reemergence of the electron-hole pockets appears in the Ni-adsorbed system. The calculated results are robust against inclusion of spin-orbit coupling and Coulomb interaction.

  5. The K x-ray line structures of the 3d-transition metals in warm dense plasma

    NASA Astrophysics Data System (ADS)

    Szymańska, E.; Syrocki, Ł.; Słabkowska, K.; Polasik, M.; Rzadkiewicz, J.

    2016-09-01

    The shapes and positions of the Kα1 and Kα2 x-ray lines for 3d-transition metals can vary substantially as electrons are stripped from the outer-shells. This paper shows the detailed line shapes for nickel and zinc, obtained by calculations with a multiconfiguration Dirac-Fock method that includes Breit interaction and quantum electrodynamics corrections. The line shapes can be useful in interpreting hot, dense plasmas with energetic electrons for which the K x-ray lines are optically thin, as may be produced by pulsed power machines such as the plasma-filled rod pinch diode or the plasma focus, or in short-pulsed high power laser plasmas.

  6. Relative stability of normal vs. inverse spinel for 3d transition metal oxides as lithium intercalation cathodes.

    PubMed

    Bhattacharya, Jishnu; Wolverton, C

    2013-05-07

    Spinel oxides represent an important class of cathode materials for Li-ion batteries. Two major variants of the spinel crystal structure are normal and inverse. The relative stability of normal and inverse ordering at different stages of lithiation has important consequences in lithium diffusivity, voltage, capacity retention and battery life. In this paper, we investigate the relative structural stability of normal and inverse structures of the 3d transition metal oxide spinels with first-principles DFT calculations. We have considered ternary spinel oxides LixM2O4 with M = Ti, V, Cr, Mn, Fe, Co and Ni in both lithiated (x = 1) and delithiated (x = 0) conditions. We find that for all lithiated spinels, the normal structure is preferred regardless of the metal. We observe that the normal structure for all these oxides has a lower size mismatch between octahedral cations compared to the inverse structure. With delithiation, many of the oxides undergo a change in stability with vanadium in particular, showing a tendency to occupy tetrahedral sites. We find that in the delithiated oxide, only vanadium ions can access a +5 oxidation state which prefers tetrahedral coordination. We have also calculated the average voltage of lithiation for these spinels. The calculated voltages agree well with the previously measured and calculated values, wherever available. For the yet to be characterized spinels, our calculation provides voltage values which can motivate further experimental attention. Lastly, we observe that all the normal spinel oxides of the 3d transition metal series have a driving force for a transformation to the non-spinel structure upon delithiation.

  7. Metal-insulator transition in 3d transition-metal oxides with ABO 3 and A 2BO 4 type structures

    NASA Astrophysics Data System (ADS)

    Eisaki, H.; Ido, T.; Magoshi, K.; Mochizuki, M.; Yamatsu, H.; Ito, T.; Uchida, S.

    1991-12-01

    3d transition-metal oxides with perovskite and K 2NiF 4 crystal structures, (La,Sr)VO 3, (La,Sr)FeO 3, (La,Sr)CoO 3, LaNiO 3 and (La,Sr) 2NiO 4 systems are investigated focusing on the effect of carrier doping performed by the A-site ion substitution. Both (La,Sr)VO 3 and (La,Sr)CoO 3 systems show an insulator to metal transition by Sr substitution, however, the magnetic behavior differs drastically. The mid-infrared structure induced by Sr substitution is observed in the optical spectra of (La,Sr) 2NiO 4 system. Relation between the behavior of metal-insulator transition and the variation of the electronic and/or spin structure in these systems is discussed in comparison with the high-T c copper oxides.

  8. Optical stability of 3d transition metal ions doped-cadmium borate glasses towards γ-rays interaction

    NASA Astrophysics Data System (ADS)

    Marzouk, M.; ElBatal, H.; Eisa, W.

    2016-07-01

    This work reports the preparation of glasses of binary cadmium borate with the basic composition (mol% 45 CdO 55 B2O3) and samples of the same composition containing 0.2 wt% dopants of 3d transition metal (TM) oxides (TiO2 → CuO). The glasses have been investigated by combined optical and Fourier Transform infrared spectroscopic measurements before and after being subjected to gamma irradiation with a dose of 8 Mrad (8 × 104 Gy). Optical absorption of the undoped glass before irradiation reveals strong charge transfer UV absorption which is related to the presence of unavoidable contaminated trace iron impurities (mainly Fe3+) within the raw materials used for the preparation of the base cadmium borate glass. The optical spectra of the 3d TM ions exhibit characteristic bands which are related the stable oxidation state of the 3d TM ions within the host glass. Gamma irradiation produces some limited variations in the optical spectra due to the stability of the host glass containing high percent 45 mol% of heavy metal oxide (CdO) which causes some shielding effects towards irradiation. From the absorption edge data, the values of the optical band gap Eopt and Urbach energy (∆E) have been calculated. The values of the optical energy gap are found to be dependent on the glass composition. Infrared absorption spectral measurements reveal characteristic absorption bands due to both triangular and tetrahedral borate groups with the BO3 units vibrations more intense than BO4 units due to the known limit value for the change of BO3 to BO4 groups. The introduction of 3d TM ions with the doping level (0.2 wt%) causes no changes in the number or position of the IR bands because of the presence of TM ions in modifying sites in the glass network. It is observed that gamma irradiation causes some limited changes in the FT-IR spectral bands due to the stability of the host heavy cadmium borate glass.

  9. Impact of surface roughness on liquid-liquid transition.

    PubMed

    Murata, Ken-Ichiro; Tanaka, Hajime

    2017-02-01

    Liquid-liquid transition (LLT) in single-component liquids is one of the most mysterious phenomena in condensed matter. So far, this problem has attracted attention mainly from the fundamental viewpoint. We report the first experimental study on an impact of surface nanostructuring on LLT by using a surface treatment called rubbing, which is the key technology for the production of liquid crystal displays. We find that this rubbing treatment has a significant impact on the kinetics of LLT of an isotropic molecular liquid, triphenyl phosphite. For a liquid confined between rubbed surfaces, surface-induced barrierless formation of the liquid II phase is observed even in a metastable state, where there should be a barrier for nucleation of the liquid II phase in bulk. Thus, surface rubbing of substrates not only changes the ordering behavior but also significantly accelerates the kinetics. This spatiotemporal pattern modulation of LLT can be explained by a wedge-filling transition and the resulting drastic reduction of the nucleation barrier. However, this effect completely disappears in the unstable (spinodal) regime, indicating the absence of the activation barrier even for bulk LLT. This confirms the presence of nucleation-growth- and spinodal decomposition-type LLT, supporting the conclusion that LLT is truly a first-order transition with criticality. Our finding also opens up a new way to control the kinetics of LLT of a liquid confined in a solid cell by structuring its surface on a mesoscopic length scale, which may contribute to making LLT useful for microfluidics and other industrial applications.

  10. Impact of surface roughness on liquid-liquid transition

    PubMed Central

    Murata, Ken-ichiro; Tanaka, Hajime

    2017-01-01

    Liquid-liquid transition (LLT) in single-component liquids is one of the most mysterious phenomena in condensed matter. So far, this problem has attracted attention mainly from the fundamental viewpoint. We report the first experimental study on an impact of surface nanostructuring on LLT by using a surface treatment called rubbing, which is the key technology for the production of liquid crystal displays. We find that this rubbing treatment has a significant impact on the kinetics of LLT of an isotropic molecular liquid, triphenyl phosphite. For a liquid confined between rubbed surfaces, surface-induced barrierless formation of the liquid II phase is observed even in a metastable state, where there should be a barrier for nucleation of the liquid II phase in bulk. Thus, surface rubbing of substrates not only changes the ordering behavior but also significantly accelerates the kinetics. This spatiotemporal pattern modulation of LLT can be explained by a wedge-filling transition and the resulting drastic reduction of the nucleation barrier. However, this effect completely disappears in the unstable (spinodal) regime, indicating the absence of the activation barrier even for bulk LLT. This confirms the presence of nucleation-growth– and spinodal decomposition–type LLT, supporting the conclusion that LLT is truly a first-order transition with criticality. Our finding also opens up a new way to control the kinetics of LLT of a liquid confined in a solid cell by structuring its surface on a mesoscopic length scale, which may contribute to making LLT useful for microfluidics and other industrial applications. PMID:28232957

  11. Orientational transitions in antiferromagnetic liquid crystals

    NASA Astrophysics Data System (ADS)

    Zakhlevnykh, A. N.; Petrov, D. A.

    2016-09-01

    The orientational phases in an antiferromagnetic liquid crystal (ferronematic) based on the nematic liquid crystal with the negative anisotropy of diamagnetic susceptibility are studied in the framework of the continuum theory. The ferronematic was assumed to be compensated; i.e., in zero field, impurity ferroparticles with the magnetic moments directed parallel and antiparallel to the director are equiprobably distributed in it. It is established that under the action of a magnetic field the ferronematic undergoes orientational transitions compensated (antiferromagnetic) phase-non-uniform phase-saturation (ferrimagnetic) phase. The analytical expressions for threshold fields of the transitions as functions of material parameters are obtained. It is shown that with increasing magnetic impurity segregation parameter, the threshold fields of the transitions significantly decrease. The bifurcation diagram of the ferronematic orientational phases is built in terms of the energy of anchoring of magnetic particles with the liquid-crystal matrix and magnetic field. It is established that the Freedericksz transition is the second-order phase transition, while the transition to the saturation state can be second- or first-order. In the latter case, the suspension exhibits orientational bistability. The orientational and magnetooptical properties of the ferronematic in different applied magnetic fields are studied.

  12. Analysis of [3',3'-d(2)]-nicotine and [3',3'-d(2)]-cotinine by capillary liquid chromatography-electrospray tandem mass spectrometry.

    PubMed

    Murphy, Sharon E; Villalta, Peter; Ho, Sing-Wei; von Weymarn, Linda B

    2007-09-15

    A selective and sensitive LC/MS/MS assay was developed for the quantification of d(2)-nicotine and d(2)-cotinine in plasma of current and past smokers administered d(2)-nicotine. After solid phase extraction and liquid-liquid extraction, HPLC separation was achieved on a capillary hydrophilic interaction chromatography phase column. The analytes were monitored by tandem mass spectrometry with electrospray positive ionization. Linear calibration curves were generated for d(2)-nicotine (0.03-6.0 ng/ml plasma) and d(2)-cotinine (0.15-25 ng/ml plasma). The lower limits of quantitation were 0.15 ng/ml and 0.25 ng/ml for d(2)-nicotine and d(2)-cotinine, respectively. The coefficient of variation was 3.7% for d(2)-nicotine and 2.5% for d(2)-cotinine. The method was applied to two ongoing studies of d(2)-nicotine metabolism in prior and current smokers. Preliminary analysis of a subset of subjects from these studies detected a significantly lower rate of nicotine conversion to cotinine by past smokers compared to current smokers.

  13. Experiments performed with bubbly flow in vertical pipes at different flow conditions covering the transition region: simulation by coupling Eulerian, Lagrangian and 3D random walks models

    NASA Astrophysics Data System (ADS)

    Muñoz-Cobo, José; Chiva, Sergio; El Aziz Essa, Mohamed; Mendes, Santos

    2012-08-01

    Two phase flow experiments with different superficial velocities of gas and water were performed in a vertical upward isothermal cocurrent air-water flow column with conditions ranging from bubbly flow, with very low void fraction, to transition flow with some cap and slug bubbles and void fractions around 25%. The superficial velocities of the liquid and the gas phases were varied from 0.5 to 3 m/s and from 0 to 0.6 m/s, respectively. Also to check the effect of changing the surface tension on the previous experiments small amounts of 1-butanol were added to the water. These amounts range from 9 to 75 ppm and change the surface tension. This study is interesting because in real cases the surface tension of the water diminishes with temperature, and with this kind of experiments we can study indirectly the effect of changing the temperature on the void fraction distribution. The following axial and radial distributions were measured in all these experiments: void fraction, interfacial area concentration, interfacial velocity, Sauter mean diameter and turbulence intensity. The range of values of the gas superficial velocities in these experiments covered the range from bubbly flow to the transition to cap/slug flow. Also with transition flow conditions we distinguish two groups of bubbles in the experiments, the small spherical bubbles and the cap/slug bubbles. Special interest was devoted to the transition region from bubbly to cap/slug flow; the goal was to understand the physical phenomena that take place during this transition A set of numerical simulations of some of these experiments for bubbly flow conditions has been performed by coupling a Lagrangian code, that tracks the three dimensional motion of the individual bubbles in cylindrical coordinates inside the field of the carrier liquid, to an Eulerian model that computes the magnitudes of continuous phase and to a 3D random walk model that takes on account the fluctuation in the velocity field of the

  14. Liquid-liquid transition in a strong bulk metallic glass-forming liquid.

    PubMed

    Wei, Shuai; Yang, Fan; Bednarcik, Jozef; Kaban, Ivan; Shuleshova, Olga; Meyer, Andreas; Busch, Ralf

    2013-01-01

    Polymorphic phase transitions are common in crystalline solids. Recent studies suggest that phase transitions may also exist between two liquid forms with different entropy and structure. Such a liquid-liquid transition has been investigated in various substances including water, Al2O3-Y2O3 and network glass formers. However, the nature of liquid-liquid transition is debated due to experimental difficulties in avoiding crystallization and/or measuring at high temperatures/pressures. Here we report the thermodynamic and structural evidence of a temperature-induced weak first-order liquid-liquid transition in a bulk metallic glass-forming system Zr(41.2)Ti(13.8)Cu(12.5)Ni10Be(22.5) characterized by non- (or weak) directional bonds. Our experimental results suggest that the local structural changes during the transition induce the drastic viscosity changes without a detectable density anomaly. These changes are correlated with a heat capacity maximum in the liquid. Our findings support the hypothesis that the 'strong' kinetics (low fragility) of a liquid may arise from an underlying lambda transition above its glass transition.

  15. Verification of proton range, position, and intensity in IMPT with a 3D liquid scintillator detector system

    PubMed Central

    Archambault, L.; Poenisch, F.; Sahoo, N.; Robertson, D.; Lee, A.; Gillin, M. T.; Mohan, R.; Beddar, S.

    2012-01-01

    Purpose: Intensity-modulated proton therapy (IMPT) using spot scanned proton beams relies on the delivery of a large number of beamlets to shape the dose distribution in a highly conformal manner. The authors have developed a 3D system based on liquid scintillator to measure the spatial location, intensity, and depth of penetration (energy) of the proton beamlets in near real-time. Methods: The detector system consists of a 20 × 20 × 20 cc liquid scintillator (LS) material in a light tight enclosure connected to a CCD camera. This camera has a field of view of 25.7 by 19.3 cm and a pixel size of 0.4 mm. While the LS is irradiated, the camera continuously acquires images of the light distribution produced inside the LS. Irradiations were made with proton pencil beams produced with a spot-scanning nozzle. Pencil beams with nominal ranges in water between 9.5 and 17.6 cm were scanned to irradiate an area of 10 × 10 cm square on the surface of the LS phantom. Image frames were acquired at 50 ms per frame. Results: The signal to noise ratio of a typical Bragg peak was about 170. Proton range measured from the light distribution produced in the LS was accurate to within 0.3 mm on average. The largest deviation seen between the nominal and measured range was 0.6 mm. Lateral position of the measured pencil beam was accurate to within 0.4 mm on average. The largest deviation seen between the nominal and measured lateral position was 0.8 mm; however, the accuracy of this measurement could be improved by correcting light scattering artifacts. Intensity of single proton spots were measured with precision ranging from 3 % for the smallest spot intensity (0.005 MU) to 0.5 % for the largest spot (0.04 MU). Conclusions: Our LS detector system has been shown to be capable of fast, submillimeter spatial localization of proton spots delivered in a 3D volume. This system could be used for beam range, intensity and position verification in IMPT. PMID:22380355

  16. The Quantum Hall Liquid to Insulator Transitions.

    NASA Astrophysics Data System (ADS)

    Shahar, Dan

    Among the stable phases known to exist in a two dimensional electronic system (2DES), the metallic phase is conspicuously missing. Nonetheless, metallic behavior characterized by finite conductivity as the temperature Tto 0, can be observed at local, isolated points. These are the critical points of quantum phase transitions separating the various stable phases. Although these phase transitions occur at T = 0 and are completely governed by quantum mechanical rules, the theoretical understanding of them is mainly in a critical phenomena framework, that is largely analogous to that used to describe traditional, thermodynamic, phase transitions. The purpose of this dissertation is to report on the identification and characterization of a new family of quantum transitions, between the quantum Hall effect and an insulating phase. In these transitions, the system is driven between a quantum Hall liquid and an insulating phase by changing the externally applied magnetic field (B), or the electronic density, n. We conducted a comprehensive, systematic experiment that virtually encompasses the full range of sample quality available to date. In all, 70 samples were prepared and studied, many at very low T ( >20 mK) and high B (<15.5 T). We studied systematically the transport near the transitions both, in the Ohmic, and non-Ohmic, high current, regimes. For each transition studied a clear, temperature independent, transition B field that separates the QHE liquid state and the insulating phase can be unambiguously determined. We find that despite the large disparity in the properties of our samples, the transport behavior near the transition points is virtually indistinguishable from sample to sample. In particular, the resistivity value at the transition point is found to be universal, and close to the quantum unit of resistance, h/e^2. Also, the behavior of the systems upon approaching the transitions obeys scaling rules with the same critical exponents for all the

  17. Insights into bonding interactions and excitation energies of 3d-4f mixed lanthanide transition metal macrocyclic complexes.

    PubMed

    Rabanal-León, Walter A; Murillo-López, Juliana A; Arratia-Pérez, Ramiro

    2016-12-07

    In this contribution, a computational study of equatorial bound tetranuclear macrocycle (butylene linked) [LnZn(HOM(Bu))](3+) (Ln = La(3+), Ce(3+)) complexes was carried out. Here, the electronic structure, bonding interaction and excitation energies were studied within the relativistic density functional theory framework. From the electronic structure analysis, the frontier molecular orbitals (FMOs) were strongly localized in the d-orbitals of the Zn centers and the f-orbitals of the lanthanide ions. Besides, the inner MOs were found to exhibit a π-character from the organic part of the macrocyclic chain. EDA-NOCV was used as a tool for evaluating the bonding interaction, taking the trinuclear metallomacrocycle (ZnHOM(Bu)) and the lanthanide center as fragments. This analysis showed that the interaction between these fragments was slightly covalent; with this covalency being the result of a charge transfer from the metallomacrocyclic ring to the lanthanide. This phenomenon was observed in the deformation density channels obtained from the EDA-NOCV study; in which π- and σ-charge transfer was observed. Finally, the TD-DFT study of the excitation energies evidenced three sets of bands: the first set with the highest intensity represented the ligand to metal charge transfer bands; the second set could be attributed to the 3d-4f electronic transitions between the metal centers; and the third set represented the f-f bands found for the open-shell cerium complex. This class of complexes accomplishes the "antenna effect" principle, which states that highly absorptive transition-metal (TM) complexes can be used to enhance the luminescence of poorly emissive systems, and are introduced in this study as self-sensitizer bimetallic d-f systems with potential applications in near infra-red (NIR) technologies.

  18. The role of 3D microenvironmental organization in MCF-7 epithelial–mesenchymal transition after 7 culture days

    SciTech Connect

    Foroni, Laura; Vasuri, Francesco; Valente, Sabrina; Gualandi, Chiara; Focarete, Maria Letizia; Caprara, Giacomo; Scandola, Mariastella; D'Errico-Grigioni, Antonia; Pasquinelli, Gianandrea

    2013-06-10

    We present a multi-technique study on in vitro epithelial–mesenchymal transition (EMT) in human MCF-7 cells cultured on electrospun scaffolds of poly(L-lactic acid) (PLA), with random and aligned fiber orientations. Our aim is to investigate the morphological and genetic characteristics induced by extracellular matrix in tumor cells cultured in different 3D environments, and at different time points. Cell vitality was assessed with AlamarBlue at days 1, 3, 5 and 7. Scanning electron microscopy was performed at culture days 3 and 7. Immunohistochemistry (for E-cadherin, β-catenin, cytokeratins, nucleophosmin, tubulin, Ki-67 and vimentin), immunofluorescence (for F-actin) western blot (for E-cadherin, β-catenin and vimentin) and transmission electron microscopy were carried out at day 7. An EMT gene array followed by PCR analysis confirmed the regulation of selected genes. At day 7, scanning electron microscopy on aligned-PLA revealed spindle-shaped cells gathered in buds and ribbon-like structures, with a higher nucleolar/nuclear ratio and a loss in E-cadherin and β-catenin at immunohistochemistry and western blot. An up-regulation of SMAD2, TGF-β2, TFPI2 and SOX10 was found in aligned-PLA compared to random-PLA cultured cells. The topography of the extracellular matrix has a role in tumor EMT, and a more aggressive phenotype characterizes MCF-7 cells cultured on aligned-PLA scaffold. -- Highlights: • After 7 culture days an aligned-PLA scaffold induces a spindle shape to MCF-7 cells. • Despite these changes, the aligned MCF-7 cells keep an epithelial phenotype. • The extracellular environment alone influences the E-cadherin/β-catenin axis. • The extracellular environment can promote the epithelial–mesenchymal transition.

  19. Vibrational density of states and thermodynamics at the nanoscale: the 3D-2D transition in gold nanostructures.

    PubMed

    Carles, R; Benzo, P; Pécassou, B; Bonafos, C

    2016-12-16

    Surface enhanced Raman scattering (SERS) is generally and widely used to enhance the vibrational fingerprint of molecules located at the vicinity of noble metal nanoparticles. In this work, SERS is originally used to enhance the own vibrational density of states (VDOS) of nude and isolated gold nanoparticles. This offers the opportunity of analyzing finite size effects on the lattice dynamics which remains unattainable with conventional techniques based on neutron or x-ray inelastic scattering. By reducing the size down to few nanometers, the role of surface atoms versus volume atoms become dominant, and the "text-book" 3D-2D transition on the dynamical behavior is experimentally emphasized. "Anomalies" that have been predicted by a large panel of simulations at the atomic scale, are really observed, like the enhancement of the VDOS at low frequencies or the occurrence of localized modes at frequencies beyond the cut-off in bulk. Consequences on the thermodynamic properties at the nanoscale, like the reduction of the Debye temperature or the excess of the specific heat, have been evaluated. Finally the high sensitivity of reminiscent bulk-like phonons on the arrangements at the atomic scale is used to access the morphology and internal disorder of the nanoparticles.

  20. Vibrational density of states and thermodynamics at the nanoscale: the 3D-2D transition in gold nanostructures

    NASA Astrophysics Data System (ADS)

    Carles, R.; Benzo, P.; Pécassou, B.; Bonafos, C.

    2016-12-01

    Surface enhanced Raman scattering (SERS) is generally and widely used to enhance the vibrational fingerprint of molecules located at the vicinity of noble metal nanoparticles. In this work, SERS is originally used to enhance the own vibrational density of states (VDOS) of nude and isolated gold nanoparticles. This offers the opportunity of analyzing finite size effects on the lattice dynamics which remains unattainable with conventional techniques based on neutron or x-ray inelastic scattering. By reducing the size down to few nanometers, the role of surface atoms versus volume atoms become dominant, and the “text-book” 3D-2D transition on the dynamical behavior is experimentally emphasized. “Anomalies” that have been predicted by a large panel of simulations at the atomic scale, are really observed, like the enhancement of the VDOS at low frequencies or the occurrence of localized modes at frequencies beyond the cut-off in bulk. Consequences on the thermodynamic properties at the nanoscale, like the reduction of the Debye temperature or the excess of the specific heat, have been evaluated. Finally the high sensitivity of reminiscent bulk-like phonons on the arrangements at the atomic scale is used to access the morphology and internal disorder of the nanoparticles.

  1. 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.

  2. Vibrational density of states and thermodynamics at the nanoscale: the 3D-2D transition in gold nanostructures

    PubMed Central

    Carles, R.; Benzo, P.; Pécassou, B.; Bonafos, C.

    2016-01-01

    Surface enhanced Raman scattering (SERS) is generally and widely used to enhance the vibrational fingerprint of molecules located at the vicinity of noble metal nanoparticles. In this work, SERS is originally used to enhance the own vibrational density of states (VDOS) of nude and isolated gold nanoparticles. This offers the opportunity of analyzing finite size effects on the lattice dynamics which remains unattainable with conventional techniques based on neutron or x-ray inelastic scattering. By reducing the size down to few nanometers, the role of surface atoms versus volume atoms become dominant, and the “text-book” 3D-2D transition on the dynamical behavior is experimentally emphasized. “Anomalies” that have been predicted by a large panel of simulations at the atomic scale, are really observed, like the enhancement of the VDOS at low frequencies or the occurrence of localized modes at frequencies beyond the cut-off in bulk. Consequences on the thermodynamic properties at the nanoscale, like the reduction of the Debye temperature or the excess of the specific heat, have been evaluated. Finally the high sensitivity of reminiscent bulk-like phonons on the arrangements at the atomic scale is used to access the morphology and internal disorder of the nanoparticles. PMID:27982080

  3. 3D spin-flop transition in enhanced 2D layered structure single crystalline TlCo2Se2

    NASA Astrophysics Data System (ADS)

    Jin, Z.; Xia, Z.-C.; Wei, M.; Yang, J.-H.; Chen, B.; Huang, S.; Shang, C.; Wu, H.; Zhang, X.-X.; Huang, J.-W.; Ouyang, Z.-W.

    2016-10-01

    The enhanced 2D layered structure single crystalline TlCo2Se2 has been successfully fabricated, which exhibits field-induced 3D spin-flop phase transitions. In the case of the magnetic field parallel to the c-axis (B//c), the applied magnetic field induces the evolution of the noncollinear helical magnetic coupling into a ferromagnetic (FM) state with all the magnetization of the Co ion parallel to the c-axis. A striking variation of the field-induced strain within the ab-plane is noticed in the magnetic field region of 20-30 T. In the case of the magnetic field perpendicular to the c-axis (B  ⊥  c), the inter-layer helical antiferromagnetic (AFM) coupling may transform to an initial canted AFM coupling, and then part of it transforms to an intermediate metamagnetic phase with the alignment of two-up-one-down Co magnetic moments and finally to an ultimate FM coupling in higher magnetic fields. The robust noncollinear AFM magnetic coupling is completely destroyed above 30 T. In combination with the measurements of magnetization, magnetoresistance and field-induced strain, a complete magnetic phase diagram of the TlCo2Se2 single crystal has been depicted, demonstrating complex magnetic structures even though the crystal geometry itself gives no indication of the magnetic frustration.

  4. First-principles study of nitric oxide oxidation on Pt(111) versus Pt overlayer on 3d transition metals

    SciTech Connect

    Arevalo, Ryan Lacdao; Escaño, Mary Clare Sison; Kasai, Hideaki

    2015-03-15

    Catalytic oxidation of NO to NO{sub 2} is a significant research interest for improving the quality of air through exhaust gas purification systems. In this paper, the authors studied this reaction on pure Pt and Pt overlayer on 3d transition metals using kinetic Monte Carlo simulations coupled with density functional theory based first principles calculations. The authors found that on the Pt(111) surface, NO oxidation proceeds via the Eley–Rideal mechanism, with O{sub 2} dissociative adsorption as the rate-determining step. The oxidation path via the Langmuir–Hinshelwood mechanism is very slow and does not significantly contribute to the overall reaction. However, in the Pt overlayer systems, the oxidation of NO on the surface is more thermodynamically and kinetically favorable compared to pure Pt. These findings are attributed to the weaker binding of O and NO on the Pt overlayer systems and the binding configuration of NO{sub 2} that promotes easier N-O bond formation. These results present insights for designing affordable and efficient catalysts for NO oxidation.

  5. Highly effective surface-enhanced fluorescence substrates with roughened 3D flowerlike silver nanostructures fabricated in liquid crystalline phase

    NASA Astrophysics Data System (ADS)

    Zhang, Ying; Yang, Chengliang; Xiang, Xiangjun; Zhang, Peiguang; Peng, Zenghui; Cao, Zhaoliang; Mu, Quanquan; Xuan, Li

    2017-04-01

    Highly effective surface-enhanced fluorescence substrates with roughened 3D flowerlike silver nanostructures were fabricated by electrodeposition in liquid crystalline template which is simple and controllable. Due to the localized surface plasmon resonance of silver nanostructures, the substrates were used as surface enhanced fluorescence substrates. The morphology and optical properties of the substrates were studied. The fluorescence experiments of the Rhodamine 6G on the substrates for different growth times were carried out and the best enhancement factor of 181 was achieved. Eight substrates with the same growth conditions were used to study the reproducibility of the substrate which shows that the fluctuations are within 9%. This substrate was used in organic distributed feedback lasers and the amplified spontaneous emission of poly(2-methoxy-5-(2‧-ethyl-hexyloxy)-p-phenylenevinylene) was enhanced dramatically which means the reduced threshold and improved slope efficiency. Such easily fabricated flower-like silver nanostructure substrates with strong surface enhanced fluorescence effect and good reproducibility are good candidate for potential applications in optical imaging, biotechnology and material detections.

  6. Performance of density functional theory for 3d transition metal-containing complexes: utilization of the correlation consistent basis sets.

    PubMed

    Tekarli, Sammer M; Drummond, Michael L; Williams, T Gavin; Cundari, Thomas R; Wilson, Angela K

    2009-07-30

    The performance of 44 density functionals used in conjunction with the correlation consistent basis sets (cc-pVnZ where n = T and Q) has been assessed for the gas-phase enthalpies of formation at 298.15 K of 3d transition metal (TM) containing systems. Nineteen molecules were examined: ScS, VO, VO(2), Cr(CO)(6), MnS, MnCl(2), Mn(CO)(5)Cl, FeCl(3), Fe(CO)(5), CoH(CO)(4), NiCl(2), Ni(CO)(4), CuH, CuF, CuCl, ZnH, ZnO, ZnCl, and Zn(CH(3))(2). Of the functionals examined, the functionals that resulted in the smallest mean absolute deviation (MAD, in parentheses, kcal mol(-1)) from experiment were B97-1 (6.9), PBE1KCIS (8.1), TPSS1KCIS (9.6), B97-2 (9.7), and B98 (10.7). All five of these functionals include some degree of Hartree-Fock (HF) exchange. The impact of increasing the basis set from cc-pVTZ to cc-pVQZ was found to be slight for the generalized gradient approximation (GGA) and meta-GGA (MGGA) functionals studied, indicating basis set saturation at the triple-zeta level. By contrast, for most of the generalized gradient exchange (GGE), hybrid GGA (HGGA), and hybrid meta-GGA (HMGGA) functionals considered, improvements in the average MAD of 2-3 kcal mol(-1) were seen upon progressing to a quadruple-zeta level basis set. Overall, it was found that the functionals that include Hartree-Fock exchange performed best overall, but those with greater than 40% HF exchange exhibit significantly poor performance for the prediction of enthalpies of formation for 3d TM complexes. Carbonyl-containing complexes, a mainstay in organometallic TM chemistry, are demonstrated to be exceedingly difficult to describe accurately with all but 2 of the 44 functionals considered. The most accurate functional, for both CO-containing and CO-free compounds, is B97-1/cc-pVQZ, which is shown to be capable of yielding results within 1 kcal mol(-1) of high-level ab initio composite methodologies.

  7. Structural Transitions at Ionic Liquid Interfaces.

    PubMed

    Rotenberg, Benjamin; Salanne, Mathieu

    2015-12-17

    Recent advances in experimental and computational techniques have allowed for an accurate description of the adsorption of ionic liquids on metallic electrodes. It is now well-established that they adopt a multilayered structure and that the composition of the layers changes with the potential of the electrode. In some cases, potential-driven ordering transitions in the first adsorbed layer have been observed in experiments probing the interface on the molecular scale or by molecular simulations. This perspective gives an overview of the current understanding of such transitions and of their potential impact on the physical and (electro)chemical processes at the interface. In particular, peaks in the differential capacitance, slow dynamics at the interface, and changes in the reactivity have been reported in electrochemical studies. Interfaces between ionic liquids and metallic electrodes are also highly relevant for their friction properties, the voltage-dependence of which opens the way to exciting applications.

  8. Co-culture of 3D tumor spheroids with fibroblasts as a model for epithelial–mesenchymal transition in vitro

    SciTech Connect

    Kim, Sun-Ah; Lee, Eun Kyung; Kuh, Hyo-Jeong

    2015-07-15

    Epithelial–mesenchymal transition (EMT) acts as a facilitator of metastatic dissemination in the invasive margin of malignant tumors where active tumor–stromal crosstalks take place. Co-cultures of cancer cells with cancer-associated fibroblasts (CAFs) are often used as in vitro models of EMT. We established a tumor–fibroblast proximity co-culture using HT-29 tumor spheroids (TSs) with CCD-18co fibroblasts. When co-cultured with TSs, CCD-18co appeared activated, and proliferative activity as well as cell migration increased. Expression of fibronectin increased whereas laminin and type I collagen decreased in TSs co-cultured with fibroblasts compared to TSs alone, closely resembling the margin of in vivo xenograft tissue. Active TGFβ1 in culture media significantly increased in TS co-cultures but not in 2D co-cultures of cancer cells–fibroblasts, indicating that 3D context-associated factors from TSs may be crucial to crosstalks between cancer cells and fibroblasts. We also observed in TSs co-cultured with fibroblasts increased expression of α-SMA, EGFR and CTGF; reduced expression of membranous β-catenin and E-cadherin, together suggesting an EMT-like changes similar to a marginal region of xenograft tissue in vivo. Overall, our in vitro TS–fibroblast proximity co-culture mimics the EMT-state of the invasive margin of in vivo tumors in early metastasis. - Highlights: • An adjacent co-culture of tumor spheroids and fibroblasts is presented as EMT model. • Activation of fibroblasts and increased cell migration were shown in co-culture. • Expression of EMT-related factors in co-culture was similar to that in tumor tissue. • Crosstalk between spheroids and fibroblasts was demonstrated by secretome analysis.

  9. Synthesizing 2D and 3D Selenidostannates in Ionic Liquids: The Synergistic Structure-Directing Effects of Ionic Liquids and Metal-Amine Complexes.

    PubMed

    Du, Cheng-Feng; Shen, Nan-Nan; Li, Jian-Rong; Hao, Min-Ting; Wang, Zi; Huang, Xiao-Ying

    2016-05-20

    Presented are the ionothermal syntheses, characterizations, and properties of a series of two- and three-dimensional selenidostannate compounds synergistically directed by metal-amine complex (MAC) cations and ionic liquids (ILs) of [Bmmim]Cl (Bmmim=1-butyl-2,3-dimethylimidazolium). Four selenidostannates, namely, 2D-(Bmmim)3 [Ni(en)3 ]2 [Sn9 Se21 ]Cl (1, en=ethylenediamine), 2D-(Bmmim)8 [Ni2 (teta)2 (μ-teta)]Sn18 Se42 (2, teta=triethylenetetramine), 2D-(Bmmim)4 [Ni(tepa)Cl]2 [Ni(tepa)Sn12 Se28 ] (3, tepa=tetraethylenepentamine), and 3D-(Bmmim)2 [Ni(1,2-pda)3 ]Sn8 Se18 (4, 1,2-pda=1,2-diaminopropane), were obtained. Single-crystal X-ray diffraction analyses revealed that compounds 1 and 2 possess a lamellar anionic [Sn3 Se7 ]n (2n-) structure comprising distinct eight-membered ring units, whereas 3 features a MAC-decorated anionic [Ni(tepa)Sn12 Se28 ]n (6n-) layered structure. In contrast to 1-3, compound 4 exhibits a 3D open framework of anionic [Sn4 Se9 ]n (2n-) . The structural variation from 1 to 4 clearly indicates that on the basis of the synergistic structure-directing ability of the MACs and ILs, variation of the organic polyamine ligand has a significant impact on the formation of selenidostannates.

  10. Polymorphism in glassy silicon: Inherited from liquid-liquid phase transition in supercooled liquid

    NASA Astrophysics Data System (ADS)

    Zhang, Shiliang; Wang, Li-Min; Zhang, Xinyu; Qi, Li; Zhang, Suhong; Ma, Mingzhen; Liu, Riping

    2015-02-01

    Combining molecular dynamics (MD) simulation and Voronoi polyhedral analyses, we discussed the microstructure evolution in liquid and glassy silicon during cooling by focusing on the fraction of various clusters. Liquid-liquid phase transition (LLPT) is detected in supercooled liquid silicon However, freezing the high-density liquid (HDL) to the glassy state is not achieved as the quenching rate goes up to 1014 K/s. The polyamorphism in glassy silicon is found to be mainly associated with low-density liquid (LDL).

  11. Chirality effect on nearly half-metallic properties in systematic endo-doping of 3d transition metals of narrow carbon nanotubes

    NASA Astrophysics Data System (ADS)

    Malehmir, M.; Khoshnevisan, B.

    2016-10-01

    Spin polarized density functional calculations were employed to study chirality effect on electronic and magnetic properties of 3d transition metals (TMs) endo-doped co-diameter (∼7 Å) narrow (5,5) and (9,0) single walled carbon nanotubes (CNTs). Various magnetizations up to ∼6μB was obtained for different 3dTM-CNT systems (recall that the magnetization of fcc structure cobalt is ∼1.6μB). In addition nearly half-metallic magnetic behavior has been observed for the most of considered systems. These results would be useful for spintronic and nano-magnetic technology.

  12. Phase transitions in liquid crystal + aerosil gels

    NASA Astrophysics Data System (ADS)

    Ramazanoglu, Mehmet Kerim

    Liquid Crystals (LCs) are found in many different phases, the most well-known, basic ones being Isotropic (I), Nematic (N), and Smectic-A (SmA). LCs show a rich variety of phase transitions between these phases. This makes them very interesting materials in which to study the basics of phase transitions and related topics. In the low symmetry phases, LCs show both positional and directional orders. X-ray scattering is an important tool to study these phase transitions as it probes the instantaneous positional correlations in these phases. Random forces have a nontrivial effect on ordering in nature, and the problem of phase transitions in the presence of a random field is a current and not well-understood topic. It has been found that aerosils posses a quenched randomness in the mixture of LC+aerosil samples, forming a gel random network which destroys long-range order (LRO) in the SmA phase. This can be modeled as a random field problem. In the N to SmA phase transition in 4O.8 LC (butyloxybenzlidene octylaniline), orientational order (N ) is modified by a 1-D density wave describing 2-D fluid layer spacing structure (SmA). Likewise the I to Sm A phase transition in 10CB LC (decylcyanobiphenyl), a transitional ordered phase develops without going through an orientational ordered phase. To study these phase transitions with aerosil dispersion carries the opportunity to probe the effect of induced quenched random disorder on phase transitions, which are 2nd order in the first case and 1st order in the second case. A two-component line-shape analysis is developed to define the phases in all temperature ranges. It consists of the thermal and the static structure factors. The reentered nematic (RN) phase of the [6:8]OCB+aerosil gels ([6:8]OCB is a mixture of hexyloxycyanobiphenyl and octyloxcyanobiphenyl) is another interesting case in which to study the quenched random disorder effects. The weak SmA phase of [6:8]OCB+aerosil gels is followed by a RN phase at low

  13. Extended depth-of-field 3D endoscopy with synthetic aperture integral imaging using an electrically tunable focal-length liquid-crystal lens.

    PubMed

    Wang, Yu-Jen; Shen, Xin; Lin, Yi-Hsin; Javidi, Bahram

    2015-08-01

    Conventional synthetic-aperture integral imaging uses a lens array to sense the three-dimensional (3D) object or scene that can then be reconstructed digitally or optically. However, integral imaging generally suffers from a fixed and limited range of depth of field (DOF). In this Letter, we experimentally demonstrate a 3D integral-imaging endoscopy with tunable DOF by using a single large-aperture focal-length-tunable liquid crystal (LC) lens. The proposed system can provide high spatial resolution and an extended DOF in synthetic-aperture integral imaging 3D endoscope. In our experiments, the image plane in the integral imaging pickup process can be tuned from 18 to 38 mm continuously using a large-aperture LC lens, and the total DOF is extended from 12 to 51 mm. To the best of our knowledge, this is the first report on synthetic aperture integral imaging 3D endoscopy with a large-aperture LC lens that can provide high spatial resolution 3D imaging with an extend DOF.

  14. 3D printing of soft and wet systems benefit from hard-to-soft transition of transparent shape memory gels (presentation video)

    NASA Astrophysics Data System (ADS)

    Furukawa, Hidemitsu; Gong, Jin; Makino, Masato; Kabir, Md. Hasnat

    2014-04-01

    Recently we successfully developed novel transparent shape memory gels. The SMG memorize their original shapes during the gelation process. In the room temperature, the SMG are elastic and show plasticity (yielding) under deformation. However when heated above about 50˚C, the SMG induce hard-to-soft transition and go back to their original shapes automatically. We focus on new soft and wet systems made of the SMG by 3-D printing technology.

  15. Laser gain on 3p-3d and 3s-3p transitions and X-ray line ratios for the nitrogen isoelectronic sequence

    NASA Technical Reports Server (NTRS)

    Feldman, U.; Seely, J. F.; Bhatia, A. K.

    1989-01-01

    Results are presented on calculations of the 72 levels belonging to the 2s(2)2p(3), 2s2p(4), 2p(5), 2s(2)2p(2)3s, 2s(2)2p(2)3p, and 2s(2)2p(2)3d configurations of the N I isoelectronic sequence for the ions Ar XII, Ti XVI, Fe XX, Zn XXIV, and Kr XXX, for electron densities up to 10 to the 24th/cu cm. It was found that large population inversions and gain occur between levels in the 2s(2)2p(2)3p configuration and levels in the 2s(2)2p(2)3d configuration that cannot decay to the ground configuration by an electric dipole transition. For increasing electron densities, the intensities of the X-ray transitions from the 2s(2)2p(2)3p configuration to the ground configuration decrease relative to the transitions from the 2s(2)2p(2)3s and 2s(2)2p(2)3d configurations to the ground configuration. The density dependence of these X-ray line ratios is presented.

  16. Transition pathways between solid and liquid state in suspensions.

    PubMed

    Heymann, Lutz; Aksel, Nuri

    2007-02-01

    Suspensions containing rigid monodisperse spherical particles in a Newtonian carrier liquid are investigated experimentally, providing evidence for solid and liquid states in a transient shear rate from rest. Between these two states a transition takes place; the transition pathways from solid to liquid and from liquid to solid being different. The dynamics of the transition are shown, with the material in this regime reacting as a highly nonlinear system. This involves inverting the input to output and vice versa and comparing them. A key feature of the transition regime is a material instability caused by the collapse of the particle network structure.

  17. Liquid-liquid transition in ST2 water

    NASA Astrophysics Data System (ADS)

    Liu, Yang; Palmer, Jeremy C.; Panagiotopoulos, Athanassios Z.; Debenedetti, Pablo G.

    2012-12-01

    We use the weighted histogram analysis method [S. Kumar, D. Bouzida, R. H. Swendsen, P. A. Kollman, and J. M. Rosenberg, J. Comput. Chem. 13, 1011 (1992), 10.1002/jcc.540130812] to calculate the free energy surface of the ST2 model of water as a function of density and bond-orientational order. We perform our calculations at deeply supercooled conditions (T = 228.6 K, P = 2.2 kbar; T = 235 K, P = 2.2 kbar) and focus our attention on the region of bond-orientational order that is relevant to disordered phases. We find a first-order transition between a low-density liquid (LDL, ρ ≈ 0.9 g/cc) and a high-density liquid (HDL, ρ ≈ 1.15 g/cc), confirming our earlier sampling of the free energy surface of this model as a function of density [Y. Liu, A. Z. Panagiotopoulos, and P. G. Debenedetti, J. Chem. Phys. 131, 104508 (2009), 10.1063/1.3229892]. We demonstrate the disappearance of the LDL basin at high pressure and of the HDL basin at low pressure, in agreement with independent simulations of the system's equation of state. Consistency between directly computed and reweighted free energies, as well as between free energy surfaces computed using different thermodynamic starting conditions, confirms proper equilibrium sampling. Diffusion and structural relaxation calculations demonstrate that equilibration of the LDL phase, which exhibits slow dynamics, is attained in the course of the simulations. Repeated flipping between the LDL and HDL phases in the course of long molecular dynamics runs provides further evidence of a phase transition. We use the Ewald summation with vacuum boundary conditions to calculate long-ranged Coulombic interactions and show that conducting boundary conditions lead to unphysical behavior at low temperatures.

  18. Use of L-edge X-ray absorption spectroscopy to characterize multiple valence states of 3 d transition metals; a new probe for mineralogical and geochemical research

    NASA Astrophysics Data System (ADS)

    Cressey, G.; Henderson, C. M. B.; van der Laan, G.

    1993-07-01

    2 p ( L 2,3) X-ray absorption spectra are presented for a range of minerals to demonstrate the usefulness of L-edge spectroscopy as a symmetry- and valenceselective probe. 2 p XAS provides a sensitive fingerprint of the electronic states of 3 d transition metals and can be applied to phases containing mixtures of such elements. Calculated spectra for 3 d n → 2 p 5 3 d n+1 transitions provide a basis for the interpretation of the measured spectra. Thus, in principle, multiple valence states of a particular 3 d metal can be precisely characterized from a single L-edge spectrum. Examples of vanadium L-edge spectra are presented for a range of minerals; these complex spectra hold information concerning the presence of vanadium in multiple valence states. The Cu L-edge spectrum of sulvanite (Cu3 VS4) indicates the presence of both Cu+ and Cu2+; the V L-edge spectrum of the same sample shows that both V2+ and V5+ are present. Spectral simulations representing mixtures of Fe d 5 and Fe d 6 states are used to quantify Fe3+/ ∑Fe in a spinel, a glass, and an amphibole, all of which contain Fe as a major component. To illustrate the sensitivity of 2 p XAS in a dilute system, the Fe L-edge spectrum of amethyst ( α-SiO2: Fe) has been recorded; this spectrum shows that ˜68% of the Fe in amethyst is Fe2+, and ˜32% is Fe3+. Although previous studies on amethyst using other spectroscopic methods cite evidence for Fe4+, there is no indication in the L-edge spectrum for Fe4+ in amethyst. Comparison of theoretical and experimental spectra not only allows the valence states of 3 d ions to be recognised, but also provides site-symmetry information and crystal field parameters for each ion site.

  19. The reversibility and first-order nature of liquid–liquid transition in a molecular liquid

    PubMed Central

    Kobayashi, Mika; Tanaka, Hajime

    2016-01-01

    Liquid–liquid transition is an intriguing phenomenon in which a liquid transforms into another liquid via the first-order transition. For molecular liquids, however, it always takes place in a supercooled liquid state metastable against crystallization, which has led to a number of serious debates concerning its origin: liquid–liquid transition versus unusual nano-crystal formation. Thus, there have so far been no single example free from such debates, to the best of our knowledge. Here we show experimental evidence that the transition is truly liquid–liquid transition and not nano-crystallization for a molecular liquid, triphenyl phosphite. We kinetically isolate the reverse liquid-liquid transition from glass transition and crystallization with a high heating rate of flash differential scanning calorimetry, and prove the reversibility and first-order nature of liquid–liquid transition. Our finding not only deepens our physical understanding of liquid–liquid transition but may also initiate a phase of its research from both fundamental and applications viewpoints. PMID:27841349

  20. Liquid-liquid phase transitions and water-like anomalies in liquids

    NASA Astrophysics Data System (ADS)

    Lascaris, Erik

    In this thesis we employ computer simulations and statistical physics to understand the origin of liquid-liquid phase transitions and their relationship with anomalies typical of liquid water. Compared with other liquids, water has many anomalies. For example the density anomaly: when water is cooled below 4 °C the density decreases rather than increases. This and other anomalies have also been found to occur in a few other one-component liquids, sometimes in conjunction with the existence of a liquid-liquid phase transition (LLPT) between a low-density liquid (LDL) and a high-density liquid (HDL). Using simple models we explain how these anomalies arise from the presence of two competing length scales. As a specific example we investigate the cut ramp potential, where we show the importance of "competition" in this context, and how one length scale can sometimes be zero. When there is a clear energetic preference for either LDL or HDL for all pressures and temperatures, then there is insufficient competition between the two liquid structures and no anomalies occur. From the simple models it also follows that anomalies can occur without the presence of a LLPT and vice versa. It remains therefore unclear if water has a LLPT that ends in a liquid-liquid critical point (LLCP), a hypothesis that was first proposed based on simulations of the ST2 water model. We confirm the existence of a LLCP in this model using finite size scaling and the Challa-Landau-Binder parameter, and show that the LLPT is not a liquid-crystal transition, as has recently been suggested. Previous research has indicated the possible existence of a LLCP in liquid silica. We perform a detailed analysis of two different silica models (WAC and BKS) at temperatures much lower than was previously simulated. Within the accessible temperature range we find no LLCP in either model, although in the case of WAC potential it is closely approached. We compare our results with those obtained for other

  1. Metastable liquid-liquid transition in a molecular model of water.

    PubMed

    Palmer, Jeremy C; Martelli, Fausto; Liu, Yang; Car, Roberto; Panagiotopoulos, Athanassios Z; Debenedetti, Pablo G

    2014-06-19

    Liquid water's isothermal compressibility and isobaric heat capacity, and the magnitude of its thermal expansion coefficient, increase sharply on cooling below the equilibrium freezing point. Many experimental, theoretical and computational studies have sought to understand the molecular origin and implications of this anomalous behaviour. Of the different theoretical scenarios put forward, one posits the existence of a first-order phase transition that involves two forms of liquid water and terminates at a critical point located at deeply supercooled conditions. Some experimental evidence is consistent with this hypothesis, but no definitive proof of a liquid-liquid transition in water has been obtained to date: rapid ice crystallization has so far prevented decisive measurements on deeply supercooled water, although this challenge has been overcome recently. Computer simulations are therefore crucial for exploring water's structure and behaviour in this regime, and have shown that some water models exhibit liquid-liquid transitions and others do not. However, recent work has argued that the liquid-liquid transition has been mistakenly interpreted, and is in fact a liquid-crystal transition in all atomistic models of water. Here we show, by studying the liquid-liquid transition in the ST2 model of water with the use of six advanced sampling methods to compute the free-energy surface, that two metastable liquid phases and a stable crystal phase exist at the same deeply supercooled thermodynamic condition, and that the transition between the two liquids satisfies the thermodynamic criteria of a first-order transition. We follow the rearrangement of water's coordination shell and topological ring structure along a thermodynamically reversible path from the low-density liquid to cubic ice. We also show that the system fluctuates freely between the two liquid phases rather than crystallizing. These findings provide unambiguous evidence for a liquid-liquid transition in

  2. Metastable liquid-liquid transition in a molecular model of water

    NASA Astrophysics Data System (ADS)

    Palmer, Jeremy C.; Martelli, Fausto; Liu, Yang; Car, Roberto; Panagiotopoulos, Athanassios Z.; Debenedetti, Pablo G.

    2014-06-01

    Liquid water's isothermal compressibility and isobaric heat capacity, and the magnitude of its thermal expansion coefficient, increase sharply on cooling below the equilibrium freezing point. Many experimental, theoretical and computational studies have sought to understand the molecular origin and implications of this anomalous behaviour. Of the different theoretical scenarios put forward, one posits the existence of a first-order phase transition that involves two forms of liquid water and terminates at a critical point located at deeply supercooled conditions. Some experimental evidence is consistent with this hypothesis, but no definitive proof of a liquid-liquid transition in water has been obtained to date: rapid ice crystallization has so far prevented decisive measurements on deeply supercooled water, although this challenge has been overcome recently. Computer simulations are therefore crucial for exploring water's structure and behaviour in this regime, and have shown that some water models exhibit liquid-liquid transitions and others do not. However, recent work has argued that the liquid-liquid transition has been mistakenly interpreted, and is in fact a liquid-crystal transition in all atomistic models of water. Here we show, by studying the liquid-liquid transition in the ST2 model of water with the use of six advanced sampling methods to compute the free-energy surface, that two metastable liquid phases and a stable crystal phase exist at the same deeply supercooled thermodynamic condition, and that the transition between the two liquids satisfies the thermodynamic criteria of a first-order transition. We follow the rearrangement of water's coordination shell and topological ring structure along a thermodynamically reversible path from the low-density liquid to cubic ice. We also show that the system fluctuates freely between the two liquid phases rather than crystallizing. These findings provide unambiguous evidence for a liquid-liquid transition in

  3. First-order insulator-to-metal Mott transition in the paramagnetic 3D system GaTa4Se8.

    PubMed

    Camjayi, A; Acha, C; Weht, R; Rodríguez, M G; Corraze, B; Janod, E; Cario, L; Rozenberg, M J

    2014-08-22

    The nature of the Mott transition in the absence of any symmetry breaking remains a matter of debate. We study the correlation-driven insulator-to-metal transition in the prototypical 3D Mott system GaTa(4)Se(8), as a function of temperature and applied pressure. We report novel experiments on single crystals, which demonstrate that the transition is of first order and follows from the coexistence of two states, one insulating and one metallic, that we toggle with a small bias current. We provide support for our findings by contrasting the experimental data with calculations that combine local density approximation with dynamical mean-field theory, which are in very good agreement.

  4. Thermodynamic precursors, liquid-liquid transitions, dynamic and topological anomalies in densified liquid germania

    SciTech Connect

    Pacaud, F.; Micoulaut, M.

    2015-08-14

    The thermodynamic, dynamic, structural, and rigidity properties of densified liquid germania (GeO{sub 2}) have been investigated using classical molecular dynamics simulation. We construct from a thermodynamic framework an analytical equation of state for the liquid allowing the possible detection of thermodynamic precursors (extrema of the derivatives of the free energy), which usually indicate the possibility of a liquid-liquid transition. It is found that for the present germania system, such precursors and the possible underlying liquid-liquid transition are hidden by the slowing down of the dynamics with decreasing temperature. In this respect, germania behaves quite differently when compared to parent tetrahedral systems such as silica or water. We then detect a diffusivity anomaly (a maximum of diffusion with changing density/volume) that is strongly correlated with changes in coordinated species, and the softening of bond-bending (BB) topological constraints that decrease the liquid rigidity and enhance transport. The diffusivity anomaly is finally substantiated from a Rosenfeld-type scaling law linked to the pair correlation entropy, and to structural relaxation.

  5. Application of ATHLET/DYN3D coupled codes system for fast liquid metal cooled reactor steady state simulation

    NASA Astrophysics Data System (ADS)

    Ivanov, V.; Samokhin, A.; Danicheva, I.; Khrennikov, N.; Bouscuet, J.; Velkov, K.; Pasichnyk, I.

    2017-01-01

    In this paper the approaches used for developing of the BN-800 reactor test model and for validation of coupled neutron-physic and thermohydraulic calculations are described. Coupled codes ATHLET 3.0 (code for thermohydraulic calculations of reactor transients) and DYN3D (3-dimensional code of neutron kinetics) are used for calculations. The main calculation results of reactor steady state condition are provided. 3-D model used for neutron calculations was developed for start reactor BN-800 load. The homogeneous approach is used for description of reactor assemblies. Along with main simplifications, the main reactor BN-800 core zones are described (LEZ, MEZ, HEZ, MOX, blankets). The 3D neutron physics calculations were provided with 28-group library, which is based on estimated nuclear data ENDF/B-7.0. Neutron SCALE code was used for preparation of group constants. Nodalization hydraulic model has boundary conditions by coolant mass-flow rate for core inlet part, by pressure and enthalpy for core outlet part, which can be chosen depending on reactor state. Core inlet and outlet temperatures were chosen according to reactor nominal state. The coolant mass flow rate profiling through the core is based on reactor power distribution. The test thermohydraulic calculations made with using of developed model showed acceptable results in coolant mass flow rate distribution through the reactor core and in axial temperature and pressure distribution. The developed model will be upgraded in future for different transient analysis in metal-cooled fast reactors of BN type including reactivity transients (control rods withdrawal, stop of the main circulation pump, etc.).

  6. On the transition towards slow manifold in shallow-water and 3D Euler equations in a rotating frame

    NASA Technical Reports Server (NTRS)

    Mahalov, A.

    1994-01-01

    The long-time, asymptotic state of rotating homogeneous shallow-water equations is investigated. Our analysis is based on long-time averaged rotating shallow-water equations describing interactions of large-scale, horizontal, two-dimensional motions with surface inertial-gravity waves field for a shallow, uniformly rotating fluid layer. These equations are obtained in two steps: first by introducing a Poincare/Kelvin linear propagator directly into classical shallow-water equations, then by averaging. The averaged equations describe interaction of wave fields with large-scale motions on time scales long compared to the time scale 1/f(sub o) introduced by rotation (f(sub o)/2-angular velocity of background rotation). The present analysis is similar to the one presented by Waleffe (1991) for 3D Euler equations in a rotating frame. However, since three-wave interactions in rotating shallow-water equations are forbidden, the final equations describing the asymptotic state are simplified considerably. Special emphasis is given to a new conservation law found in the asymptotic state and decoupling of the dynamics of the divergence free part of the velocity field. The possible rising of a decoupled dynamics in the asymptotic state is also investigated for homogeneous turbulence subjected to a background rotation. In our analysis we use long-time expansion, where the velocity field is decomposed into the 'slow manifold' part (the manifold which is unaffected by the linear 'rapid' effects of rotation or the inertial waves) and a formal 3D disturbance. We derive the physical space version of the long-time averaged equations and consider an invariant, basis-free derivation. This formulation can be used to generalize Waleffe's (1991) helical decomposition to viscous inhomogeneous flows (e.g. problems in cylindrical geometry with no-slip boundary conditions on the cylinder surface and homogeneous in the vertical direction).

  7. Application of the RNS3D Code to a Circular-Rectangular Transition Duct With and Without Inlet Swirl and Comparison with Experiments

    NASA Technical Reports Server (NTRS)

    Cavicchi, Richard H.

    1999-01-01

    Circular-rectangular transition ducts are used between engine exhausts and nozzles with rectangular cross sections that are designed for high performance aircraft. NASA Glenn Research Center has made experimental investigations of a series of circular-rectangular transition ducts to provide benchmark flow data for comparison with numerical calculations. These ducts are all designed with superellipse cross sections to facilitate grid generation. In response to this challenge, the three-dimensional RNS3D code has been applied to one of these transition ducts. This particular duct has a length-to-inlet diameter ratio of 1.5 and an exit-plane aspect ratio of 3.0. The inlet Mach number is 0.35. Two GRC experiments and the code were run for this duct without inlet swirl. One GRC experiment and the code were also run with inlet swirl. With no inlet swirl the code was successful in predicting pressures and secondary flow conditions, including a pair of counter-rotating vortices at both sidewalls of the exit plane. All these phenomena have been reported from the two GRC experiments. However, these vortices were suppressed in the one experiment when inlet swirl was used; whereas the RNS3D code still predicted them. The experiment was unable to provide data near the sidewalls, the very region where the vortices were predicted.

  8. Self-assembled dynamic 3D fingerprints in liquid-crystal coatings towards controllable friction and adhesion.

    PubMed

    Liu, Danqing; Broer, Dirk J

    2014-04-25

    Chiral-nematic polymer network coatings form a "fingerprint" texture through self-assembly. For this purpose the molecular helix of the coating is oriented parallel to the substrate. The coating has a flat surface but when actuated by light in the presence of a copolymerized azobenzene compound, 3D fingerprint structures appear in the coating. The helix forms protrusions at the positions where the molecules are aligned parallel to the surface and withdraws at the positions where the orientation is perpendicular. This process proceeds rapidly and is reversible, that is, the fingerprint-shaped protrusions disappear when the light is switched off. The texture in the on-state resembles that of a human fingerprint and is used to manipulate the gripping friction of a robotic finger. The friction coefficient drops by a factor of four to five when the fingerprint switched on because of reduced surface contacts.

  9. Polymorphism of iron at high pressure: A 3D phase-field model for displacive transitions with finite elastoplastic deformations

    NASA Astrophysics Data System (ADS)

    Vattré, A.; Denoual, C.

    2016-07-01

    A thermodynamically consistent framework for combining nonlinear elastoplasticity and multivariant phase-field theory is formulated at large strains. In accordance with the Clausius-Duhem inequality, the Helmholtz free energy and time-dependent constitutive relations give rise to displacive driving forces for pressure-induced martensitic phase transitions in materials. Inelastic forces are obtained by using a representation of the energy landscape that involves the concept of reaction pathways with respect to the point group symmetry operations of crystal lattices. On the other hand, additional elastic forces are derived for the most general case of large strains and rotations, as well as nonlinear, anisotropic, and different elastic pressure-dependent properties of phases. The phase-field formalism coupled with finite elastoplastic deformations is implemented into a three-dimensional Lagrangian finite element approach and is applied to analyze the iron body-centered cubic (α-Fe) into hexagonal close-packed (ɛ-Fe) phase transitions under high hydrostatic compression. The simulations exhibit the major role played by the plastic deformation in the morphological and microstructure evolution processes. Due to the strong long-range elastic interactions between variants without plasticity, a forward α → ɛ transition is energetically unfavorable and remains incomplete. However, plastic dissipation releases considerably the stored strain energy, leading to the α ↔ ɛ ↔α‧ (forward and reverse) polymorphic phase transformations with an unexpected selection of variants.

  10. The 3D Kasteleyn transition in dipolar spin ice: a numerical study with the conserved monopoles algorithm.

    PubMed

    Baez, M L; Borzi, R A

    2017-02-08

    We study the three-dimensional Kasteleyn transition in both nearest neighbours and dipolar spin ice models using an algorithm that conserves the number of excitations. We first limit the interactions range to nearest neighbours to test the method in the presence of a field applied along [Formula: see text], and then focus on the dipolar spin ice model. The effect of dipolar interactions, which is known to be greatly self screened at zero field, is particularly strong near full polarization. It shifts the Kasteleyn transition to lower temperatures, which decreases  ≈0.4 K for the parameters corresponding to the best known spin ice materials, [Formula: see text] and [Formula: see text]. This shift implies effective dipolar fields as big as 0.05 T opposing the applied field, and thus favouring the creation of 'strings' of reversed spins. We compare the reduction in the transition temperature with results in previous experiments, and study the phenomenon quantitatively using a simple molecular field approach. Finally, we relate the presence of the effective residual field to the appearance of string-ordered phases at low fields and temperatures, and we check numerically that for fields applied along [Formula: see text] there are only three different stable phases at zero temperature.

  11. The 3D Kasteleyn transition in dipolar spin ice: a numerical study with the conserved monopoles algorithm

    NASA Astrophysics Data System (ADS)

    Baez, M. L.; Borzi, R. A.

    2017-02-01

    We study the three-dimensional Kasteleyn transition in both nearest neighbours and dipolar spin ice models using an algorithm that conserves the number of excitations. We first limit the interactions range to nearest neighbours to test the method in the presence of a field applied along ≤ft[1 0 0\\right] , and then focus on the dipolar spin ice model. The effect of dipolar interactions, which is known to be greatly self screened at zero field, is particularly strong near full polarization. It shifts the Kasteleyn transition to lower temperatures, which decreases  ≈0.4 K for the parameters corresponding to the best known spin ice materials, \\text{D}{{\\text{y}}2}\\text{T}{{\\text{i}}2}{{\\text{O}}7} and \\text{H}{{\\text{o}}2}\\text{T}{{\\text{i}}2}{{\\text{O}}7} . This shift implies effective dipolar fields as big as 0.05 T opposing the applied field, and thus favouring the creation of ‘strings’ of reversed spins. We compare the reduction in the transition temperature with results in previous experiments, and study the phenomenon quantitatively using a simple molecular field approach. Finally, we relate the presence of the effective residual field to the appearance of string-ordered phases at low fields and temperatures, and we check numerically that for fields applied along ≤ft[1 0 0\\right] there are only three different stable phases at zero temperature.

  12. Liquid-liquid transition without macroscopic phase separation in a water-glycerol mixture

    NASA Astrophysics Data System (ADS)

    Murata, Ken-Ichiro; Tanaka, Hajime

    2012-05-01

    The existence of more than two liquid states in a single-component substance and the ensuing liquid-liquid transitions (LLTs) has attracted considerable attention because of its counterintuitive nature and its importance in the fundamental understanding of the liquid state. Here we report direct experimental evidence for a genuine (isocompositional) LLT without macroscopic phase separation in an aqueous solution of glycerol. We show that liquid I transforms into liquid II by way of two types of kinetics: nucleation and growth, and spinodal decomposition. Although liquid II is metastable against crystallization, we could access both its static and dynamical properties experimentally. We find that liquids I and II differ in density, refractive index, structure, hydrogen bonding state, glass transition temperature and fragility, and that the transition between the two liquids is mainly driven by the local structuring of water rather than of glycerol, suggesting a link to a plausible LLT inpure water.

  13. Granular Solid-liquid Transition: Experiment and Simulation

    NASA Astrophysics Data System (ADS)

    Fei, M.; Xu, X.; Sun, Q.

    2015-12-01

    Granular media are amorphous materials, which differs from traditional solid or liquid. In different circumstance, granular behavior varies from solid-like to liquid-like, and the transitions between these regimes are always related to many complex natural progresses such as the failure of soil foundation and the occurrence of landslide and debris flow. The mechanic of elastic instability during the transition from solid-like to liquid-like regime, and the quantitative description of irreversible deformation during flow are the key problems to interpret these transition phenomena. In this work, we developed a continuum model with elastic stable condition and irreversible flow rule of granular material based on a thermal dynamical model, the Two-Granular-Temperature model (TGT). Since infinitesimal elastic deformation in solid-like regime and significant plastic large deformation in liquid-like regime can coexist in the granular solid-liquid transition process, the material point method (MPM) was used to build an effective numerical model. Collapse of rectangular granular pile contains both the transition from granular solid to granular liquid and the inverse process, thus in this work we carried out collapse experiment with clay particles, and simulated the experiment with our continuum model and an open-source DEM model YADE to study the transition processes. Results between experiment and simulations were compared and good agreements on collapse shape and velocity profiles were achieved, and the new model proposed in this work seems to work well on the description of granular solid-liquid transition.

  14. Capillary forces exerted by liquid drops caught between crossed cylinders. A 3-D meniscus problem with free contact line

    NASA Technical Reports Server (NTRS)

    Patzek, T. W.; Scriven, L. E.

    1982-01-01

    The Young-Laplace equation is solved for three-dimensional menisci between crossed cylinders, with either the contact line fixed or the contact angle prescribed, by means of the Galerkin/finite element method. Shapes are computed, and with them the practically important quantities: drop volume, wetted area, capillary pressure force, surface tension force, and the total force exerted by the drop on each cylinder. The results show that total capillary force between cylinders increases with decreasing contact angle, i.e. with better wetting. Capillary force is also increases with decreasing drop volume, approaching an asymptotic limit. However, the wetted area on each cylinder decreases with decreasing drop volume, which raises the question of the optimum drop volume to strive for, when permanent bonding is sought from solidified liquid. For then the strength of the bond is likely to depend upon the area of contact, which is the wetted area when the bonding agent was introduced in liquid form.

  15. Origin of enhanced visible-light photocatalytic activity of transition-metal (Fe, Cr and Co)-doped CeO2: effect of 3 d orbital splitting

    NASA Astrophysics Data System (ADS)

    Yang, Ke; Li, Dong-Feng; Huang, Wei-Qing; Xu, Liang; Huang, Gui-Fang; Wen, Shuangchun

    2017-01-01

    Enhanced visible-light photocatalytic activity of transition-metal-doped ceria (CeO2) nanomaterials has experimentally been demonstrated, whereas there are very few reports mentioning the mechanism of this behavior. Here, we use first-principles calculations to explore the origin of enhanced photocatalytic performance of CeO2 doped with transition metal impurities (Fe, Cr and Co). When a transition metal atom substitutes a Ce atom into CeO2, t 2g and e g levels of 3 d orbits appear in the middle of band gap owing to the effect of cubic ligand field, and the former is higher than latter. Interestingly, t 2g subset of FeCe (CoCe and CrCe)-Vo-CeO2 splits into two parts: one merges into the conduction band, the other as well as e g will remain in the gap, because O vacancy defect adjacent to transition metal atom will break the symmetry of cubic ligand field. These e g and t 2g levels in the band gap are beneficial for absorbing visible-light and enhancing quantum efficiency because of forbidden transition, which is one key factor for enhanced visible-light photocatalytic activity. The band gap narrowing also leads to a redshift of optical absorbance and high photoactivity. These findings can rationalize the available experimental results and provide some new insights for designing CeO2-based photocatalysts with high photocatalytic performance.

  16. 3D numerical modeling of the lateral transition between viscous overthrusting and folding with application to the Helvetic nappe system

    NASA Astrophysics Data System (ADS)

    Spitz, Richard; Schmalholz, Stefan; Kaus, Boris

    2016-04-01

    The Helvetic nappe system of the European Alps is generally described as a complex of fold and thrust belts. While the overall geology of the system has been studied in detail, the understanding of the tectonic development and mechanical interconnection between overthrusting and folding is still incomplete. One clue comes from the mechanical stratigraphy and the corresponding lateral transition from overthrusting to folding, which is characteristic for the Helvetic nappe system. We employ a three-dimensional numerical model with linear and non-linear viscous rheology to investigate the control of the lateral variation in the thickness of a weak detachment horizon on the transition from folding to overthrusting during continental shortening. The model configuration is based on published work based on 2D numerical simulations. The simulations are conducted with the three-dimensional staggered-grid finite difference code LaMEM (Lithosphere and Mantle Evolution Model), which allows for coupled nonlinear thermo-mechanical modeling of lithospheric deformation with visco-elasto-plastic rheology and computation on massive parallel machines. Our model configuration consists of a stiff viscous layer, with a pre-existing weak zone, resting within a weaker viscous matrix. The reference viscosity ratio μL/μM (for the same strain rate) between the layer and matrix ranges from 10 to 200. The simulations were run with several distinct initial geometries by altering the thickness of the detachment horizon below the stiff layer across the configurations. Shortening with a constant bulk rate is induced by the prescription of a horizontal velocity on one side of the model. The first results of our simulations highlight the general importance of the initial geometry on the lateral transition from overthrusting to folding. Additionally, models with a stepwise lateral variation of the detachment horizon indicate a fold development orthogonal to the main compressional axis.

  17. A 729 nm laser with ultra-narrow linewidth for probing 4S 1/2-3D 5/2 clock transition of 40Ca +

    NASA Astrophysics Data System (ADS)

    Guan, Hua; Liu, Qu; Huang, Yao; Guo, Bin; Qu, Wancheng; Cao, Jian; Huang, Guilong; Huang, Xueren; Gao, Kelin

    2011-01-01

    A Coherent Inc. Ti:sapphire laser MBR-110 is locked to a temperature-controlled high finesse Fabry-Perot cavity supported on an isolated platform. The linewidth is measured by locking the laser to another similar super-cavity at the same time and the heterodyne beatnote between two laser beams that locked to different cavities determines the linewidth. The result shows that the laser's linewidth is suppressed to be 41 Hz. The long-term drift is measured with a femtosecond comb and determined to be ~ 0.1 Hz/s. This laser is used to probe the 4S 1/2-3D 5/2 clock transition of a single 40Ca + ion. The Zeeman components of the clock transition with a linewidth of 160 Hz have been observed.

  18. 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

  19. 3D Global PIC simulation of Alfvenic transition layers at the cusp outer boundary during IMF rotations from north to south

    NASA Astrophysics Data System (ADS)

    Cai, D. S.; Lembege, B.; Esmaeili, A.; Nishikawa, K.

    2013-12-01

    Statistical experimental observations of the cusp boundaries from CLUSTER mission made by Lavraud et al. (2005) have clearly evidenced the presence of a transition layer inside the magnetosheath near the outer boundary of the cusp. This layer characterized by Log(MA)~ 1 allows a transition from super-Alfvenic to sub-Alfvenic bulk flow from the exterior to the interior side of the outer cusp and has been mainly observed experimentally under northward interplanetary magnetic field (IMF). The role of this layer is important in order to understand the flow variations (and later the entry and precipitation of particles) when penetrating the outer boundary of the cusp. In order to analyze this layer, a large 3D PIC simulation of the global solar wind-terrestrial magnetosphere interaction have been performed, and the attention has been focused on the cusp region and its nearby surrounding during IMF rotation from north to south. Present results retrieve quite well the presence of this layer within the meridian plane for exactly northward IMF, but its location differs in the sense that it is located slightly below the X reconnection region associated to the nearby magnetopause (above the outer boundary of the cusp). In order to clarify this question, an extensive study has been performed as follows: (i) a 3D mapping of this transition layer in order to analyze more precisely the thickness, the location and the spatial extension of this layer on the magnetosphere flanks for a fixed Northward IMF configuration; (ii) a parametric study in order to analyze the impact of the IMF rotation from north to south on the persistence and the main features of this transition layer. The locations of this transition layer slightly radially expand and shrink during the IMF rotation and the thickness of the layer increases during the rotation. We show how these transition layers render the flow from super to sub Alfvenic and allow the particles enter into the magnetic cusp region. Alfven

  20. The putative liquid-liquid transition is a liquid-solid transition in atomistic models of water. II

    SciTech Connect

    Limmer, David T.; Chandler, David

    2013-06-07

    This paper extends our earlier studies of free energy functions of density and crystalline order parameters for models of supercooled water, which allows us to examine the possibility of two distinct metastable liquid phases [D. T. Limmer and D. Chandler, J. Chem. Phys.135, 134503 (2011) and preprint http://arxiv.org/abs/arXiv:1107.0337 (2011)]. Low-temperature reversible free energy surfaces of several different atomistic models are computed: mW water, TIP4P/2005 water, Stillinger-Weber silicon, and ST2 water, the last of these comparing three different treatments of long-ranged forces. In each case, we show that there is one stable or metastable liquid phase, and there is an ice-like crystal phase. The time scales for crystallization in these systems far exceed those of structural relaxation in the supercooled metastable liquid. We show how this wide separation in time scales produces an illusion of a low-temperature liquid-liquid transition. The phenomenon suggesting metastability of two distinct liquid phases is actually coarsening of the ordered ice-like phase, which we elucidate using both analytical theory and computer simulation. For the latter, we describe robust methods for computing reversible free energy surfaces, and we consider effects of electrostatic boundary conditions. We show that sensible alterations of models and boundary conditions produce no qualitative changes in low-temperature phase behaviors of these systems, only marginal changes in equations of state. On the other hand, we show that altering sampling time scales can produce large and qualitative non-equilibrium effects. Recent reports of evidence of a liquid-liquid critical point in computer simulations of supercooled water are considered in this light.

  1. PIV Measurement of Transient 3-D (Liquid and Gas Phases) Flow Structures Created by a Spreading Flame over 1-Propanol

    NASA Technical Reports Server (NTRS)

    Hassan, M. I.; Kuwana, K.; Saito, K.

    2001-01-01

    In the past, we measured three-D flow structure in the liquid and gas phases that were created by a spreading flame over liquid fuels. In that effort, we employed several different techniques including our original laser sheet particle tracking (LSPT) technique, which is capable of measuring transient 2-D flow structures. Recently we obtained a state-of-the-art integrated particle image velocimetry (IPIV), whose function is similar to LSPT, but it has an integrated data recording and processing system. To evaluate the accuracy of our IPIV system, we conducted a series of flame spread tests using the same experimental apparatus that we used in our previous flame spread studies and obtained a series of 2-D flow profiles corresponding to our previous LSPT measurements. We confirmed that both LSPT and IPIV techniques produced similar data, but IPIV data contains more detailed flow structures than LSPT data. Here we present some of newly obtained IPIV flow structure data, and discuss the role of gravity in the flame-induced flow structures. Note that the application of IPIV to our flame spread problems is not straightforward, and it required several preliminary tests for its accuracy including this IPIV comparison to LSPT.

  2. Pore-scale modeling of Capillary Penetration of Wetting Liquid into 3D Fibrous Media: A Critical Examination of Equivalent Capillary Concept

    NASA Astrophysics Data System (ADS)

    Palakurthi, Nikhil Kumar; Ghia, Urmila; Comer, Ken

    2013-11-01

    Capillary penetration of liquid through fibrous porous media is important in many applications such as printing, drug delivery patches, sanitary wipes, and performance fabrics. Historically, capillary transport (with a distinct liquid propagating front) in porous media is modeled using capillary-bundle theory. However, it is not clear if the capillary model (Washburn equation) describes the fluid transport in porous media accurately, as it assumes uniformity of pore sizes in the porous medium. The present work investigates the limitations of the applicability of the capillary model by studying liquid penetration through virtual fibrous media with uniform and non-uniform pore-sizes. For the non-uniform-pore fibrous medium, the effective capillary radius of the fibrous medium was estimated from the pore-size distribution curve. Liquid penetration into the 3D virtual fibrous medium at micro-scale was simulated using OpenFOAM, and the numerical results were compared with the Washburn-equation capillary-model predictions. Preliminary results show that the Washburn equation over-predicts the height rise in the early stages (purely inertial and visco-inertial stages) of capillary transport.

  3. Glass phase and other multiple liquid-to-liquid transitions resulting from two-liquid phase competition

    NASA Astrophysics Data System (ADS)

    Tournier, Robert F.

    2016-11-01

    Melt supercooling leads to glass formation. Liquid-to-liquid phase transitions are observed depending on thermal paths. Viscosity, density and surface tension thermal dependences measured at heating and subsequent cooling show hysteresis below a branching temperature and result from the competition of two-liquid phases separated by an enthalpy difference depending on temperature. The nucleation classical equation of these phases is completed by this enthalpy saving existing at all temperatures. The glass phase thermodynamic parameters and their thermal variation have already been determined in such a two-liquid model. They are used at high temperatures to predict liquid-to-liquid transitions in some metallic glass-forming melts.

  4. Monitoring the formation of carbide crystal phases during the thermal decomposition of 3d transition metal dicarboxylate complexes

    SciTech Connect

    Huba, ZJ; Carpenter, EE

    2014-06-06

    Single molecule precursors can help to simplify the synthesis of complex alloys by minimizing the amount of necessary starting reagents. However, single molecule precursors are time consuming to prepare with very few being commercially available. In this study, a simple precipitation method is used to prepare Fe, Co, and Ni fumarate and succinate complexes. These complexes were then thermally decomposed in an inert atmosphere to test their efficiency as single molecule precursors for the formation of metal carbide phases. Elevated temperature X-ray diffraction was used to identify the crystal phases produced upon decomposition of the metal dicarboxylate complexes. Thermogravimetric analysis coupled with an infrared detector was used to identify the developed gaseous decomposition products. All complexes tested showed a reduction from the starting M2+ oxidation state to the M oxidation state, upon decomposition. Also, each complex tested showed CO2 and H2O as gaseous decomposition products. Nickel succinate, iron succinate, and iron fumarate complexes were found to form carbide phases upon decomposition. This proves that transition metal dicarboxylate salts can be employed as efficient single molecule precursors for the formation of metal carbide crystal phases.

  5. Phenotypic transition maps of 3D breast acini obtained by imaging-guided agent-based modeling

    SciTech Connect

    Tang, Jonathan; Enderling, Heiko; Becker-Weimann, Sabine; Pham, Christopher; Polyzos, Aris; Chen, Chen-Yi; Costes, Sylvain V

    2011-02-18

    We introduce an agent-based model of epithelial cell morphogenesis to explore the complex interplay between apoptosis, proliferation, and polarization. By varying the activity levels of these mechanisms we derived phenotypic transition maps of normal and aberrant morphogenesis. These maps identify homeostatic ranges and morphologic stability conditions. The agent-based model was parameterized and validated using novel high-content image analysis of mammary acini morphogenesis in vitro with focus on time-dependent cell densities, proliferation and death rates, as well as acini morphologies. Model simulations reveal apoptosis being necessary and sufficient for initiating lumen formation, but cell polarization being the pivotal mechanism for maintaining physiological epithelium morphology and acini sphericity. Furthermore, simulations highlight that acinus growth arrest in normal acini can be achieved by controlling the fraction of proliferating cells. Interestingly, our simulations reveal a synergism between polarization and apoptosis in enhancing growth arrest. After validating the model with experimental data from a normal human breast line (MCF10A), the system was challenged to predict the growth of MCF10A where AKT-1 was overexpressed, leading to reduced apoptosis. As previously reported, this led to non growth-arrested acini, with very large sizes and partially filled lumen. However, surprisingly, image analysis revealed a much lower nuclear density than observed for normal acini. The growth kinetics indicates that these acini grew faster than the cells comprising it. The in silico model could not replicate this behavior, contradicting the classic paradigm that ductal carcinoma in situ is only the result of high proliferation and low apoptosis. Our simulations suggest that overexpression of AKT-1 must also perturb cell-cell and cell-ECM communication, reminding us that extracellular context can dictate cellular behavior.

  6. Computer simulations of liquid silica: Equation of state and liquid-liquid phase transition

    NASA Astrophysics Data System (ADS)

    Saika-Voivod, Ivan; Sciortino, Francesco; Poole, Peter H.

    2001-01-01

    We conduct extensive molecular dynamics computer simulations of two models for liquid silica [the model of Woodcock, Angell and Cheeseman, J. Phys. Chem. 65, 1565 (1976); and that of van Beest, Kramer, and van Santen, Phys. Rev. Lett. 64, 1955 (1990)] to determine their thermodynamic properties at low temperature T across a wide density range. We find for both models a wide range of states in which isochores of the potential energy U are a linear function of T3/5, as recently proposed for simple liquids [Rosenfeld and P. Tarazona, Mol. Phys. 95, 141 (1998)]. We exploit this behavior to fit an accurate equation of state to our thermodynamic data. Extrapolation of this equation of state to low T predicts the occurrence of a liquid-liquid phase transition for both models. We conduct simulations in the region of the predicted phase transition, and confirm its existence by direct observation of phase separating droplets of atoms with distinct local density and coordination environments.

  7. Theoretical study of inverted sandwich type complexes of 4d transition metal elements: interesting similarities to and differences from 3d transition metal complexes.

    PubMed

    Kurokawa, Yusaku I; Nakao, Yoshihide; Sakaki, Shigeyoshi

    2012-03-08

    Inverted sandwich type complexes (ISTCs) of 4d metals, (μ-η(6):η(6)-C(6)H(6))[M(DDP)](2) (DDPH = 2-{(2,6-diisopropylphenyl)amino}-4-{(2,6-diisopropylphenyl)imino}pent-2-ene; M = Y, Zr, Nb, Mo, and Tc), were investigated with density functional theory (DFT) and MRMP2 methods, where a model ligand AIP (AIPH = (Z)-1-amino-3-imino-prop-1-ene) was mainly employed. When going to Nb (group V) from Y (group III) in the periodic table, the spin multiplicity of the ground state increases in the order singlet, triplet, and quintet for M = Y, Zr, and Nb, respectively, like 3d ISTCs reported recently. This is interpreted with orbital diagram and number of d electrons. However, the spin multiplicity decreases to either singlet or triplet in ISTC of Mo (group VI) and to triplet in ISTC of Tc (group VII), where MRMP2 method is employed because the DFT method is not useful here. These spin multiplicities are much lower than the septet of ISTC of Cr and the nonet of that of Mn. When going from 3d to 4d, the position providing the maximum spin multiplicity shifts to group V from group VII. These differences arise from the size of the 4d orbital. Because of the larger size of the 4d orbital, the energy splitting between two d(δ) orbitals of M(AIP) and that between the d(δ) and d(π) orbitals are larger in the 4d complex than in the 3d complex. Thus, when occupation on the d(δ) orbital starts, the low spin state becomes ground state, which occurs at group VI. Hence, the ISTC of Nb (group V) exhibits the maximum spin multiplicity.

  8. Liquid Crystalline Assembly of Coil-Rod-Coil Molecules with Lateral Methyl Groups into 3-D Hexagonal and Tetragonal Assemblies

    PubMed Central

    Wang, Zhuoshi; Lan, Yu; Zhong, Keli; Liang, Yongri; Chen, Tie; Jin, Long Yi

    2014-01-01

    In this paper, we report the synthesis and self-assembly behavior of coil-rod-coil molecules, consisting of three biphenyls linked through a vinylene unit as a conjugated rod segment and poly(ethylene oxide) (PEO) with a degree of polymerization (DP) of 7, 12 and 17, incorporating lateral methyl groups between the rod and coil segments as the coil segment. Self-organized investigation of these molecules by means of differential scanning calorimetry (DSC), thermal polarized optical microscopy (POM) and X-ray diffraction (XRD) reveals that the lateral methyl groups attached to the surface of rod and coil segments, dramatically influence the self-assembling behavior in the liquid-crystalline mesophase. Molecule 1 with a relatively short PEO coil length (DP = 7) self-assembles into rectangular and oblique 2-dimensional columnar assemblies, whereas molecules 2 and 3 with DP of 12 and 17 respectively, spontaneously self-organize into unusual 3-dimensional hexagonal close-packed or body-centered tetragonal assemblies. PMID:24699045

  9. The liquid to vapor phase transition in excited nuclei

    SciTech Connect

    Elliott, J.B.; Moretto, L.G.; Phair, L.; Wozniak, G.J.; Beaulieu, L.; Breuer, H.; Korteling, R.G.; Kwiatkowski, K.; Lefort, T.; Pienkowski, L.; Ruangma, A.; Viola, V.E.; Yennello, S.J.

    2001-05-08

    For many years it has been speculated that excited nuclei would undergo a liquid to vapor phase transition. For even longer, it has been known that clusterization in a vapor carries direct information on the liquid-vapor equilibrium according to Fisher's droplet model. Now the thermal component of the 8 GeV/c pion + 197 Au multifragmentation data of the ISiS Collaboration is shown to follow the scaling predicted by Fisher's model, thus providing the strongest evidence yet of the liquid to vapor phase transition.

  10. Modeling STM tips by single absorbed atoms on W(100) films: 3d, 4d and 5d transition metal atoms

    NASA Astrophysics Data System (ADS)

    Hofer, Werner; Redinger, Josef; Kresse, Georg; Podloucky, Raimund

    2000-03-01

    In order to provide comprehensive data on the electronic structure of realistic STM-tips we have calculated W(100) films with single 3d, 4d and 5d transition metal apex atoms by first principles molecular dynamics and full potential methods. Molecular dynamics using ultrasoft pseudopotentials (VASP) has been used to determine the relaxation of the surface layers. The electronic structure of the relaxed film has been calculated by a first principles full potential method with two-dimensional boundary conditions (FLEUR), which seems most suitable to reproduce subtle surface effects. The results suggest that the chemical nature of the tip apex determines to a high degree achievable corrugations and that correct results for the current and corrugation values in a perturbation approach can only be obtained by including the full electronic structure of the tip.

  11. Electronic structure of the chiral helimagnet and 3d-intercalated transition metal dichalcogenide Cr1/3NbS2

    DOE PAGES

    Sirca, N.; Mo, S. -K.; Bondino, F.; ...

    2016-08-18

    The electronic structure of the chiral helimagnet Cr1/3NbS2 has been studied with core level and angle-resolved photoemission spectroscopy (ARPES). Intercalated Cr atoms are found to be effective in donating electrons to the NbS2 layers but also cause significant modifications of the electronic structure of the host NbS2 material. Specifically, the data provide evidence that a description of the electronic structure of Cr1/3NbS2 on the basis of a simple rigid band picture is untenable. The data also reveal substantial inconsistencies with the predictions of standard density functional theory. In conclusion, the relevance of these results to the attainment of a correctmore » description of the electronic structure of chiral helimagnets, magnetic thin films/multilayers, and transition metal dichalcogenides intercalated with 3d magnetic elements is discussed.« less

  12. Electronic structure of the chiral helimagnet and 3d-intercalated transition metal dichalcogenide Cr1/3NbS2

    SciTech Connect

    Sirca, N.; Mo, S. -K.; Bondino, F.; Pis, I.; Nappini, S.; Vilmercati, P.; Yi, Jieyu; Gai, Zheng; Snijders, Paul C.; Das, P. K.; Vobornik, I.; Ghimire, N. J.; Koehler, Michael R.; Sopkota, D.; Parker, David S.; Mandrus, D. G.; Mannella, Norman

    2016-08-18

    The electronic structure of the chiral helimagnet Cr1/3NbS2 has been studied with core level and angle-resolved photoemission spectroscopy (ARPES). Intercalated Cr atoms are found to be effective in donating electrons to the NbS2 layers but also cause significant modifications of the electronic structure of the host NbS2 material. Specifically, the data provide evidence that a description of the electronic structure of Cr1/3NbS2 on the basis of a simple rigid band picture is untenable. The data also reveal substantial inconsistencies with the predictions of standard density functional theory. In conclusion, the relevance of these results to the attainment of a correct description of the electronic structure of chiral helimagnets, magnetic thin films/multilayers, and transition metal dichalcogenides intercalated with 3d magnetic elements is discussed.

  13. Adsorption of alkali, alkaline-earth, simple and 3d transition metal, and nonmetal atoms on monolayer MoS{sub 2}

    SciTech Connect

    Li, X. D.; Fang, Y. M.; Wu, S. Q. E-mail: wsq@xmu.edu.cn; Zhu, Z. Z. E-mail: wsq@xmu.edu.cn

    2015-05-15

    Single adsorption of different atoms on pristine two-dimensional monolayer MoS{sub 2} have been systematically investigated by using density functional calculations with van der Waals correction. The adatoms cover alkali metals, alkaline earth metals, main group metal, 3d-transition metals, coinage metal and nonmetal atoms. Depending on the adatom type, metallic, semimetallic or semiconducting behavior can be found in direct bandgap monolayer MoS{sub 2}. Additionally, local or long-range magnetic moments of two-dimensional MoS{sub 2} sheet can also attained through the adsorption. The detailed atomic-scale knowledge of single adsorption on MoS{sub 2} monolayer is important not only for the sake of a theoretical understanding, but also device level deposition technological application.

  14. Kagome-type isostructural 3D-transition metal fluorosulfates with spin 3/2 and 1: synthesis, structure and characterization.

    PubMed

    Marri, Subba R; Kumar, Jitendra; Panyarat, Kitt; Horike, Satoshi; Behera, J N

    2016-11-28

    Two isostructural transition metal fluorosulfates based on Co and Ni metal ions with the molecular composition of [H3O][M(SO4)F] (where M = Co((II)) for 1 and Ni((II)) for 2) were synthesized under solvothermal conditions and structurally characterized by single crystal X-ray analysis. The materials were further characterized by complementary techniques like TGA, FTIR and PXRD. The 3D-crystal lattice consists of a kagome-type entity where sulfate groups replaced one of the metal nodes when compared with true kagome structures. Magnetic studies of the complexes were also performed which showed that the interactions at the metal center are antiferromagnetic in nature. The proton conductivity increases with the increase in humidity and was found to be 7.9 × 10(-6) S cm(-1) for 2 at RH = 98%.

  15. Photoemission spectra and density functional theory calculations of 3d transition metal-aqua complexes (Ti-Cu) in aqueous solution.

    PubMed

    Yepes, Diana; Seidel, Robert; Winter, Bernd; Blumberger, Jochen; Jaque, Pablo

    2014-06-19

    Photoelectron spectroscopy measurements and density functional calculations are combined to determine the lowest electron binding energies of first-row transition-metal aqua ions, titanium through copper, with 3d(1) through 3d(9) electronic configurations, in their most common oxidation states. Vertical ionization energies are found to oscillate considerably between 6.76 and 9.65 eV for the dications and between 7.05 and 10.28 eV for the respective trivalent cations. The metal cations are modeled as [M(H2O)n](q+) clusters (q = 2, 3, and 4; n = 6 and 18) surrounded by continuum solvent. The performance of 10 exchange-correlation functionals, two GGAs, three MGGAs, two HGGAs and three HMGGAs, combined with the MDF10(ECP)/6-31+G(d,p) basis set is assessed for 11 M-O bond distances, 10 vertical ionization energies, 6 adiabatic ionization energies, and the associated reorganization free energies. We find that for divalent cations the HGGA and HMGGA functionals in combination with the 18 water model show the best agreement with experimental vertical ionization energies and geometries; for trivalent ions, the MGGA functionals perform best. The corresponding reorganization free energies (λo) of the oxidized ions are significantly underestimated with all DFT functionals and cluster models. This indicates that the structural reorganization of the solvation shell upon ionization is not adequately accounted for by the simple solvation models used, emphasizing the importance of extended sampling of thermally accessible solvation structures for an accurate computation of this quantity. The photoelectron spectroscopy measurements reported herein provide a comprehensive set of transition-metal redox energetic quantities for future electronic structure benchmarks.

  16. 3D interconnected ionic nano-channels formed in polymer films: self-organization and polymerization of thermotropic bicontinuous cubic liquid crystals.

    PubMed

    Ichikawa, Takahiro; Yoshio, Masafumi; Hamasaki, Atsushi; Kagimoto, Junko; Ohno, Hiroyuki; Kato, Takashi

    2011-02-23

    Thermotropic bicontinuous cubic (Cub(bi)) liquid-crystalline (LC) compounds based on a polymerizable ammonium moiety complexed with a lithium salt have been designed to obtain lithium ion-conductive all solid polymeric films having 3D interconnected ionic channels. The monomer shows a Cub(bi) phase from -5 to 19 °C on heating. The complexes retain the ability to form the Cub(bi) LC phase. They also form hexagonal columnar (Col(h)) LC phases at temperatures higher than those of the Cub(bi) phases. The complex of the monomer and LiBF(4) at the molar ratio of 4:1 exhibits the Cub(bi) and Col(h) phases between -6 to 19 °C and 19 to 56 °C, respectively, on heating. The Cub(bi) LC structure formed by the complex has been successfully preserved by in situ photopolymerization through UV irradiation in the presence of a photoinitiator. The resultant nanostructured film is optically transparent and free-standing. The X-ray analysis of the film confirms the preservation of the self-assembled nanostructure. The polymer film with the Cub(bi) LC nanostructure exhibits higher ionic conductivities than the polymer films obtained by photopolymerization of the complex in the Col(h) and isotropic phases. It is found that the 3D interconnected ionic channels derived from the Cub(bi) phase function as efficient ion-conductive pathways.

  17. Enhanced enrichment of prostate cancer stem-like cells with miniaturized 3D culture in liquid core-hydrogel shell microcapsules

    PubMed Central

    Yu, Jianhua; Lu, Xiongbin; Zynger, Debra L.; He, Xiaoming

    2015-01-01

    Cancer stem-like cells (CSCs) are rare subpopulations of cancer cells that are reported to be responsible for cancer resistance and metastasis associated with conventional cancer therapies. Therefore, effective enrichment/culture of CSCs is of importance to both the understanding and treatment of cancer. However, it usually takes approximately 10 days for the widely used conventional approach to enrich CSCs through the formation of CSC-containing aggregates. Here we report the time can be shortened to 2 days while obtaining prostate CSC-containing aggregates with better quality based on the expression of surface receptor markers, dye exclusion, gene and protein expression, and in vivo tumorigenicity. This is achieved by encapsulating and culturing human prostate cancer cells in the miniaturized 3D liquid core of microcapsules with an alginate hydrogel shell. The miniaturized 3D culture in core–shell microcapsules is an effective strategy for enriching/culturing CSCs in vitro to facilitate cancer research and therapy development. PMID:24952981

  18. Role of surfactant during microemulsion photopolymerization for the creation of three-dimensional (3D) liquid crystal elastomer microsphere spatial cell scaffolds

    NASA Astrophysics Data System (ADS)

    Hegmann, Elda; Bera, Tanmay; Malcuit, Christopher; Clements, Robert

    2016-06-01

    Three-dimensional (3D) cell scaffolds based on connected nematic liquid crystal elastomer microsphere architectures support the attachment and proliferation of C2C12 myoblasts, neuroblastomas (SHSY5Y) and human dermal fibroblasts (hDF). The microsphere spatial cell scaffolds were prepared by an oil-in-water microemulsion photopolymerization of reactive nematic mesogens in the presence of various surfactants, and the as-prepared scaffold constructs are composed of smooth surface microspheres with diameter ranging from 10 to 30 μm. We here investigate how the nature and type of surfactant used during the microemulsion photopolymerization impacts both the size and size distribution of the resulting microspheres as well as their surface morphology, i.e. the surface roughness.

  19. Adiabatic nucleation in the liquid-vapor phase transition

    NASA Astrophysics Data System (ADS)

    de Sá, Elon M.; Meyer, Erich; Soares, Vitorvani

    2001-05-01

    The fundamental difference between classical (isothermal) nucleation theory (CNT) and adiabatic nucleation theory (ANT) is discussed. CNT uses the concept of isothermal heterophase fluctuations, while ANT depends on common fluctuations of the thermodynamic variables. Applications to the nonequilibrium liquid to vapor transition are shown. However, we cannot yet calculate nucleation frequencies. At present, we can only indicate at what temperatures and pressures copious homogeneous nucleation is expected in the liquid to vapor phase transition. It is also explained why a similar general indication cannot be made for the inverse vapor to liquid transition. Simultaneously, the validity of Peng-Robinson's equation of state [D.-Y. Peng and D. B. Robinson, Ind. Eng. Chem. Fundam. 15, 59 (1976)] is confirmed for highly supersaturated liquids.

  20. Analysis of structural correlations in a model binary 3D liquid through the eigenvalues and eigenvectors of the atomic stress tensors.

    PubMed

    Levashov, V A

    2016-03-07

    It is possible to associate with every atom or molecule in a liquid its own atomic stress tensor. These atomic stress tensors can be used to describe liquids' structures and to investigate the connection between structural and dynamic properties. In particular, atomic stresses allow to address atomic scale correlations relevant to the Green-Kubo expression for viscosity. Previously correlations between the atomic stresses of different atoms were studied using the Cartesian representation of the stress tensors or the representation based on spherical harmonics. In this paper we address structural correlations in a 3D model binary liquid using the eigenvalues and eigenvectors of the atomic stress tensors. This approach allows to interpret correlations relevant to the Green-Kubo expression for viscosity in a simple geometric way. On decrease of temperature the changes in the relevant stress correlation function between different atoms are significantly more pronounced than the changes in the pair density function. We demonstrate that this behaviour originates from the orientational correlations between the eigenvectors of the atomic stress tensors. We also found correlations between the eigenvalues of the same atomic stress tensor. For the studied system, with purely repulsive interactions between the particles, the eigenvalues of every atomic stress tensor are positive and they can be ordered: λ1 ≥ λ2 ≥ λ3 ≥ 0. We found that, for the particles of a given type, the probability distributions of the ratios (λ2/λ1) and (λ3/λ2) are essentially identical to each other in the liquids state. We also found that λ2 tends to be equal to the geometric average of λ1 and λ3. In our view, correlations between the eigenvalues may represent "the Poisson ratio effect" at the atomic scale.

  1. Study of morphology effects on magnetic interactions and band gap variations for 3d late transition metal bi-doped ZnO nanostructures by hybrid DFT calculations

    SciTech Connect

    Datta, Soumendu Baral, Sayan; Mookerjee, Abhijit; Kaphle, Gopi Chandra

    2015-08-28

    Using density functional theory (DFT) based electronic structure calculations, the effects of morphology of semiconducting nanostructures on the magnetic interaction between two magnetic dopant atoms as well as a possibility of tuning band gaps have been studied in the case of the bi-doped (ZnO){sub 24} nanostructures with the impurity dopant atoms of the 3d late transition metals—Mn, Fe, Co, Ni, and Cu. To explore the morphology effect, three different structures of the host (ZnO){sub 24} nano-system, having different degrees of spatial confinement, have been considered: a two dimensional nanosheet, a one dimensional nanotube, and a finite cage-shaped nanocluster. The present study employs hybrid density functional theory to accurately describe the electronic structure of all the systems. It is shown here that the magnetic coupling between the two dopant atoms remains mostly anti-ferromagnetic in the course of changing the morphology from the sheet geometry to the cage-shaped geometry of the host systems, except for the case of energetically most stable bi-Mn doping, which shows a transition from ferromagnetic to anti-ferromagnetic coupling with decreasing aspect ratio of the host system. The effect of the shape change, however, has a significant effect on the overall band gap variations of both the pristine as well as all the bi-doped systems, irrespective of the nature of the dopant atoms and provides a means for easy tunability of their optoelectronic properties.

  2. Accurate electronic and chemical properties of 3d transition metal oxides using a calculated linear response U and a DFT + U(V) method.

    PubMed

    Xu, Zhongnan; Joshi, Yogesh V; Raman, Sumathy; Kitchin, John R

    2015-04-14

    We validate the usage of the calculated, linear response Hubbard U for evaluating accurate electronic and chemical properties of bulk 3d transition metal oxides. We find calculated values of U lead to improved band gaps. For the evaluation of accurate reaction energies, we first identify and eliminate contributions to the reaction energies of bulk systems due only to changes in U and construct a thermodynamic cycle that references the total energies of unique U systems to a common point using a DFT + U(V) method, which we recast from a recently introduced DFT + U(R) method for molecular systems. We then introduce a semi-empirical method based on weighted DFT/DFT + U cohesive energies to calculate bulk oxidation energies of transition metal oxides using density functional theory and linear response calculated U values. We validate this method by calculating 14 reactions energies involving V, Cr, Mn, Fe, and Co oxides. We find up to an 85% reduction of the mean average error (MAE) compared to energies calculated with the Perdew-Burke-Ernzerhof functional. When our method is compared with DFT + U with empirically derived U values and the HSE06 hybrid functional, we find up to 65% and 39% reductions in the MAE, respectively.

  3. Accurate electronic and chemical properties of 3d transition metal oxides using a calculated linear response U and a DFT + U(V) method

    SciTech Connect

    Xu, Zhongnan; Kitchin, John R.; Joshi, Yogesh V.; Raman, Sumathy

    2015-04-14

    We validate the usage of the calculated, linear response Hubbard U for evaluating accurate electronic and chemical properties of bulk 3d transition metal oxides. We find calculated values of U lead to improved band gaps. For the evaluation of accurate reaction energies, we first identify and eliminate contributions to the reaction energies of bulk systems due only to changes in U and construct a thermodynamic cycle that references the total energies of unique U systems to a common point using a DFT + U(V ) method, which we recast from a recently introduced DFT + U(R) method for molecular systems. We then introduce a semi-empirical method based on weighted DFT/DFT + U cohesive energies to calculate bulk oxidation energies of transition metal oxides using density functional theory and linear response calculated U values. We validate this method by calculating 14 reactions energies involving V, Cr, Mn, Fe, and Co oxides. We find up to an 85% reduction of the mean average error (MAE) compared to energies calculated with the Perdew-Burke-Ernzerhof functional. When our method is compared with DFT + U with empirically derived U values and the HSE06 hybrid functional, we find up to 65% and 39% reductions in the MAE, respectively.

  4. Antiferromagnetic spin chain behavior and a transition to 3D magnetic order in Cu(D,L-alanine)2: Roles of H-bonds

    NASA Astrophysics Data System (ADS)

    Calvo, Rafael; Sartoris, Rosana P.; Calvo, Hernán L.; Chagas, Edson F.; Rapp, Raul E.

    2016-05-01

    We study the spin chain behavior, a transition to 3D magnetic order and the magnitudes of the exchange interactions for the metal-amino acid complex Cu(D,L-alanine)2•H2O, a model compound to investigate exchange couplings supported by chemical paths characteristic of biomolecules. Thermal and magnetic data were obtained as a function of temperature (T) and magnetic field (B0). The magnetic contribution to the specific heat, measured between 0.48 and 30 K, displays above 1.8 K a 1D spin-chain behavior that can be fitted with an intrachain antiferromagnetic (AFM) exchange coupling constant 2J0=(-2.12±0.08) cm-1 (defined as ℋex(i,i+1) = -2J0SiṡSi+1), between neighbor coppers at 4.49 Å along chains connected by non-covalent and H-bonds. We also observe a narrow specific heat peak at 0.89 K indicating a phase transition to a 3D magnetically ordered phase. Magnetization curves at fixed T = 2, 4 and 7 K with B0 between 0 and 9 T, and at T between 2 and 300 K with several fixed values of B0 were globally fitted by an intrachain AFM exchange coupling constant 2J0=(-2.27±0.02) cm-1 and g = 2.091±0.005. Interchain interactions J1 between coppers in neighbor chains connected through long chemical paths with total length of 9.51 Å cannot be estimated from magnetization curves. However, observation of the phase transition in the specific heat data allows estimating the range 0.1≤|2J1|≤0.4 cm-1, covering the predictions of various approximations. We analyze the magnitudes of 2J0 and 2J1 in terms of the structure of the corresponding chemical paths. The main contribution in supporting the intrachain interaction is assigned to H-bonds while the interchain interactions are supported by paths containing H-bonds and carboxylate bridges, with the role of the H-bonds being predominant. We compare the obtained intrachain coupling with studies of compounds showing similar behavior and discuss the validity of the approximations allowing to calculate the interchain

  5. 3D image of Brittle/Ductile transition in active volcanic area and its implication on seismicity: The Campi Flegrei caldera case study

    NASA Astrophysics Data System (ADS)

    Castaldo, Raffaele; Luca, D'auria; Susi, Pepe; Giuseppe, Solaro; Pietro, Tizzani

    2015-04-01

    The thermo-rheology of the rocks is a crucial aspect to understand the mechanical behavior of the crust in young and tectonically active area. As a consequence, several studies have been performed since last decades in order to understand the role of thermic state in the evolution of volcanic environments. In this context, we analyze the upper crust rheology of the Campi Flegrei active caldera (Southern Italy). Our target is the evaluation of the 3D geometry of the Brittle-Ductile transition beneath the resurgent caldera, by integrating the available geological, geochemical, and geophysical data. We first performed a numerical thermal model by using the a priori geological and geophysical information; than we employ the retrieved isothermal distribution to image the rheological stratification of the shallow crust beneath caldera. In particular, considering both the thermal proprieties and the mechanical heterogeneities of the upper crust, we performed, in a Finite Element environment, a 3D conductive time dependent thermal model through an numerical of solution of the Fourier equation. The dataset consist in temperature measurements recorded in several deep wells. More specifically, the geothermal gradients were measured in seven deep geothermal boreholes, located in three main distinct areas: Mofete, Licola, and San Vito. In addition, we take into account also the heat flow density map at the caldera surface calculated by considering the thermal measurements carried out in 30 shallow water wells. We estimate the isothermal distribution of the crust calibrating two model parameters: the heat production [W], associated to the magma injection episodes in the last 60 kyears within the magma chamber and the heat flow coefficient [W/m2*K] at the external surface. In particular, the optimization procedure has been performed using an exhaustive grid search, to minimize the differences between model and experimental measurements. The achieved results allowed us to

  6. HERITAGE: the concept of a giant flux neutron reflectometer for the exploration of 3-d structure of free-liquid and solid interfaces in thin films

    NASA Astrophysics Data System (ADS)

    Mattauch, S.; Ioffe, A.; Lott, D.; Bottyán, L.; Daillant, J.; Markó, M.; Menelle, A.; Sajti, S.; Veres, T.

    2017-01-01

    The instrumental concept of HERITAGE - a reflectometer with a horizontal sample geometry - well fitted to the long pulse structure of a neutron source is presented. It is constitutes a new class of reflectometers achieving the unprecedentedly high flux for classical specular reflectometry combined with off-specular reflectometry and grazing incidence small-angle scattering (GISANS), thus resulting in a complete 3-d exploration of lateral and in depth structures in thin films. This is achieved by specially designed neutron guides. In the horizontal direction (perpendicular to the scattering plane) the guide's elliptic shape focusses the neutrons onto the sample. In the vertical direction a multichannel geometry provides a smooth divergence distribution at the sample position while accepting the entire beam from a compact high-brilliance flat moderator. The modular collimation setup of HERITAGE provides extremely high flexibility in respect to sample geometries and environments, including the possibility to study virtually all types of solid and liquid interfaces, statically or kinetically. The use of multiple beam illumination allows for reflectivity and GISANS measurements at liquid interfaces both from above and below without a need to move the sample. This concept assures the delivery of the maximum possible and usable flux to the sample in both reflectivity and GISANS measurement regimes. The presented design outperforms the flux of all present-day and already for the ESS planned reflectometers and GISANS setups in flux and in measuring time for standard samples.

  7. The glass-liquid transition of water on hydrophobic surfaces.

    PubMed

    Souda, Ryutaro

    2008-09-28

    Interactions of thin water films with surfaces of graphite and vitrified room-temperature ionic liquid [1-butyl-3-methylimidazolium hexafluorophosphate ([bmim][PF(6)])] were investigated using time-of-flight secondary ion mass spectrometry as a function of temperature and annealing time to elucidate the glass-liquid transition of water at the molecular level. Surface diffusion of water occurs at temperatures higher than 120 K, thereby forming three-dimensional clusters (a two-dimensional layer) on the [bmim][PF(6)] (graphite) surface. The hydrophobic effect of the surface decreases with increasing coverage of water; the bulklike properties evolve up to 40 ML, as evidenced by the occurrence of film dewetting at around the conventional glass transition temperature (140 K). Results also showed that aging is necessary for the water monolayer (a 40 ML water film) to dewet the graphite ([bmim][PF(6)]) surface. The occurrence of aging is explainable by the successive evolution of two distinct liquids during the glass-liquid transition: low density liquid is followed by supercooled liquid water. The water monolayer on graphite is characterized by the preferred orientation of unpaired OH groups toward the surface; this structure is arrested during the aging time despite the occurrence of surface diffusion. However, the water monolayer formed on the [bmim][PF(6)] surface agglomerates immediately after the commencement of surface diffusion. The structure of low density liquid tends to be arrested by the attractive interaction with the neighbors.

  8. Application of liquid dynamics theory to the glass transition.

    PubMed

    Wallace, D C

    1999-12-01

    In monatomic liquid dynamics theory, the system moves among a large number of intersecting nearly harmonic valleys in the many-particle potential energy surface. The same potential surface underlies the motion of atoms in the supercooled liquid. As temperature is decreased below the melting temperature, the motion among the potential valleys will begin to freeze out, and the system will pass out of equilibrium. It is therefore necessary to develop a nonequilibrium theory, based on the Hamiltonian motion. The motion is separated into two distinct parts, and idealized as follows: (a) the vibrational motion within a single valley is assumed to be purely harmonic, and remaining in equilibrium; and (b) the transit motion, which carries the system from one valley to another, is assumed to be instantaneous, and energy and momentum conserving. This idealized system is capable of exhibiting a glass transition behavior. An elementary model, incorporating the idealized motion, is the independent atom model, originally developed to treat self diffusion in monatomic liquids. For supercooled liquids, in the independent atom model, the vanishing of self diffusion at a finite temperature implies the same property for the transit probability. The vanishing of the transit probability at a finite temperature supports the view that transits are not merely thermally activated, but are controlled by phase-space correlations. For supercooled liquid sodium, the transit probability has Vogel-Tamann-Fulcher temperature dependence. The independent atom model is shown to be capable of exhibiting all the essential glass transition properties, including rate dependence of the glass transition temperature, and both exponential and nonexponential relaxation.

  9. Nature of the first-order liquid-liquid phase transition in supercooled silicon

    NASA Astrophysics Data System (ADS)

    Zhao, G.; Yu, Y. J.; Tan, X. M.

    2015-08-01

    The first-order liquid-liquid phase transition in supercooled Si is revisited by long-time first-principle molecular dynamics simulations. As the focus of the present paper, its nature is revealed by analyzing the inherent structures of low-density liquid (LDL) and high-density liquid (HDL). Our results show that it is a transition between a sp3-hybridization LDL and a white-tin-like HDL. This uncovers the origin of the semimetal-metal transition accompanying it and also proves that HDL is the metastable extension of high temperature equilibrium liquid into the supercooled regime. The pressure-temperature diagram of supercooled Si thus can be regarded in some respects as shifted reflection of its crystalline phase diagram.

  10. Using the Flow-3D General Moving Object Model to Simulate Coupled Liquid Slosh - Container Dynamics on the SPHERES Slosh Experiment: Aboard the International Space Station

    NASA Technical Reports Server (NTRS)

    Schulman, Richard; Kirk, Daniel; Marsell, Brandon; Roth, Jacob; Schallhorn, Paul

    2013-01-01

    The SPHERES Slosh Experiment (SSE) is a free floating experimental platform developed for the acquisition of long duration liquid slosh data aboard the International Space Station (ISS). The data sets collected will be used to benchmark numerical models to aid in the design of rocket and spacecraft propulsion systems. Utilizing two SPHERES Satellites, the experiment will be moved through different maneuvers designed to induce liquid slosh in the experiment's internal tank. The SSE has a total of twenty-four thrusters to move the experiment. In order to design slosh generating maneuvers, a parametric study with three maneuvers types was conducted using the General Moving Object (GMO) model in Flow-30. The three types of maneuvers are a translation maneuver, a rotation maneuver and a combined rotation translation maneuver. The effectiveness of each maneuver to generate slosh is determined by the deviation of the experiment's trajectory as compared to a dry mass trajectory. To fully capture the effect of liquid re-distribution on experiment trajectory, each thruster is modeled as an independent force point in the Flow-3D simulation. This is accomplished by modifying the total number of independent forces in the GMO model from the standard five to twenty-four. Results demonstrate that the most effective slosh generating maneuvers for all motions occurs when SSE thrusters are producing the highest changes in SSE acceleration. The results also demonstrate that several centimeters of trajectory deviation between the dry and slosh cases occur during the maneuvers; while these deviations seem small, they are measureable by SSE instrumentation.

  11. A universal reduced glass transition temperature for liquids

    NASA Technical Reports Server (NTRS)

    Fedors, R. F.

    1979-01-01

    Data on the dependence of the glass transition temperature on the molecular structure for low-molecular-weight liquids are analyzed in order to determine whether Boyer's reduced glass transition temperature (1952) is a universal constant as proposed. It is shown that the Boyer ratio varies widely depending on the chemical nature of the molecule. It is pointed out that a characteristic temperature ratio, defined by the ratio of the sum of the melting temperature and the boiling temperature to the sum of the glass transition temperature and the boiling temperature, is a universal constant independent of the molecular structure of the liquid. The average value of the ratio obtained from data for 65 liquids is 1.15.

  12. Synthesis of functionalized 3D porous graphene using both ionic liquid and SiO2 spheres as "spacers" for high-performance application in supercapacitors.

    PubMed

    Li, Tingting; Li, Na; Liu, Jiawei; Cai, Kai; Foda, Mohamed F; Lei, Xiaomin; Han, Heyou

    2015-01-14

    In this work, a high-capacity supercapacitor material based on functionalized three-dimensional (3D) porous graphene was fabricated by low temperature hydrothermal treatment of graphene oxide (GO) using both ionic liquid (IL) and SiO2 spheres as "spacers". In the synthesis, the introduction of dual "spacers" effectively enlarged the interspace between graphene sheets and suppressed their re-stacking. In addition, the IL also acted as a structure-directing agent playing a crucial role in inducing the formation of unique 3D architectures. Consequently, fast electron/ion transport channels were successfully constructed and numerous oxygen-containing groups on graphene sheets were effectively reserved, which had unique advantages in decreasing ion diffusion resistance and providing additional pseudocapacitance. As expected, the obtained material exhibited superior specific capacitance and rate capability compared to single "spacer" designed electrodes and simultaneously maintained excellent cycling stability. In particular, there was nearly no loss of its initial capacitance after 3000 cycles. In addition, we further assembled a symmetric two-electrode device using the material, which showed outstanding flexibility and low equivalent series resistance (ESR). More importantly, it was capable of yielding a maximum power density of about 13.3 kW kg(-1) with an energy density of about 7.0 W h kg(-1) at a voltage of 1.0 V in 1 M H2SO4 electrolyte. All these impressive results demonstrate that the material obtained by this approach is greatly promising for application in high-performance supercapacitors.

  13. Liquid-liquid transition in supercooled water suggested by microsecond simulations.

    PubMed

    Li, Yaping; Li, Jicun; Wang, Feng

    2013-07-23

    The putative liquid-liquid phase transition in supercooled water has been used to explain many anomalous behaviors of water. However, no direct experimental verification of such a phase transition has been accomplished, and theoretical studies from different simulations contradict each other. We investigated the putative liquid-liquid phase transition using the Water potential from Adaptive Force Matching for Ice and Liquid (WAIL). The simulation reveals a first-order phase transition in the supercooled regime with the critical point at ~207 K and 50 MPa. Normal water is high-density liquid (HDL). Low-density liquid (LDL) emerges at lower temperatures. The LDL phase has a density only slightly larger than that of the ice-Ih and shows more long-range order than HDL. However, the transformation from LDL to HDL is spontaneous across the first-order phase transition line, suggesting the LDL configuration is not poorly formed nanocrystalline ice. It has been demonstrated in the past that the WAIL potential provides reliable predictions of water properties such as melting temperature and temperature of maximum density. Compared with other simple water potentials, WAIL is not biased by fitting to experimental properties, and simulation with this potential reflects the prediction of a high-quality first-principle potential energy surface.

  14. Intrinsic response of polymer liquid crystals in photochemical phase transition

    SciTech Connect

    Ikeda, Tomiki; Sasaki, Takeo; Kim, Haengboo )

    1991-01-24

    Time-resolved measurements were performed on the photochemically induced isothermal phase transition of polymer liquid crystals (PLC) with mesogenic side chains of phenyl benzoate (PAPB3) and cyanobiphenyl (PACB3) under conditions wherein the photochemical reaction of the doped photoresponsive molecule (4-butyl-4-{prime}-methoxyazobenzene, BMAB) was completed within {approximately} 10 ns, and the subsequent phase transition of the matrix PLC from nematic (N) to isotropic (I) state was followed by time-resolved measurements of the birefringence of the system. Formation of a sufficient amount of the cis isomer of BMAB with a single pulse of a laser lowered the N-I phase transition temperature of the mixture, inducing the N-I phase transition of PLCs isothermally in a time range of {approximately} 200 ms. This time range is comparable to that of low molecular weight liquid crystals, indicating that suppression in mobility of mesogens in PLCs does not affect significantly the thermodynamically controlled process.

  15. The liquid-liquid phase transition in silicon revealed by snapshots of valence electrons.

    PubMed

    Beye, Martin; Sorgenfrei, Florian; Schlotter, William F; Wurth, Wilfried; Föhlisch, Alexander

    2010-09-28

    The basis for the anomalies of water is still mysterious. Quite generally tetrahedrally coordinated systems, also silicon, show similar thermodynamic behavior but lack--like water--a thorough explanation. Proposed models--controversially discussed--explain the anomalies as a remainder of a first-order phase transition between high and low density liquid phases, buried deeply in the "no man's land"--a part of the supercooled liquid region where rapid crystallization prohibits any experimental access. Other explanations doubt the existence of the phase transition and its first-order nature. Here, we provide experimental evidence for the first-order-phase transition in silicon. With ultrashort optical pulses of femtosecond duration we instantaneously heat the electronic system of silicon while the atomic structure as defined by the much heavier nuclear system remains initially unchanged. Only on a picosecond time scale the energy is transferred into the atomic lattice providing the energy to drive the phase transitions. With femtosecond X-ray pulses from FLASH, the free-electron laser at Hamburg, we follow the evolution of the valence electronic structure during this process. As the relevant phases are easily distinguishable in their electronic structure, we track how silicon melts into the low-density-liquid phase while a second phase transition into the high-density-liquid phase only occurs after the latent heat for the first-order phase transition has been transferred to the atomic structure. Proving the existence of the liquid-liquid phase transition in silicon, the hypothesized liquid-liquid scenario for water is strongly supported.

  16. Glass–liquid transition of water at high pressure

    PubMed Central

    Andersson, Ove

    2011-01-01

    The knowledge of the existence of liquid water under extreme conditions and its concomitant properties are important in many fields of science. Glassy water has previously been prepared by hyperquenching micron-sized droplets of liquid water and vapor deposition on a cold substrate (ASW), and its transformation to an ultraviscous liquid form has been reported on heating. A densified amorphous solid form of water, high-density amorphous ice (HDA), has also been made by collapsing the structure of ice at pressures above 1 GPa and temperatures below approximately 140 K, but a corresponding liquid phase has not been detected. Here we report results of heat capacity Cp and thermal conductivity, in situ, measurements, which are consistent with a reversible transition from annealed HDA to ultraviscous high-density liquid water at 1 GPa and 140 K. On heating of HDA, the Cp increases abruptly by (3.4 ± 0.2) J mol-1 K-1 before crystallization starts at (153 ± 1) K. This is larger than the Cp rise at the glass to liquid transition of annealed ASW at 1 atm, which suggests the existence of liquid water under these extreme conditions. PMID:21690361

  17. An improved model for the transit entropy of monatomic liquids

    SciTech Connect

    Wallace, Duane C; Chisolm, Eric D; Bock, Nicolas

    2009-01-01

    In the original formulation of V-T theory for monatomic liquid dynamics, the transit contribution to entropy was taken to be a universal constant, calibrated to the constant-volume entropy of melting. This model suffers two deficiencies: (a) it does not account for experimental entropy differences of {+-}2% among elemental liquids, and (b) it implies a value of zero for the transit contribution to internal energy. The purpose of this paper is to correct these deficiencies. To this end, the V-T equation for entropy is fitted to an overall accuracy of {+-}0.1% to the available experimental high temperature entropy data for elemental liquids. The theory contains two nuclear motion contributions: (a) the dominant vibrational contribution S{sub vib}(T/{theta}{sub 0}), where T is temperature and {theta}{sub 0} is the vibrational characteristic temperature, and (b) the transit contribution S{sub tr}(T/{theta}{sub tr}), where {theta}{sub tr} is a scaling temperature for each liquid. The appearance of a common functional form of S{sub tr} for all the liquids studied is a property of the experimental data, when analyzed via the V-T formula. The resulting S{sub tr} implies the correct transit contribution to internal energy. The theoretical entropy of melting is derived, in a single formula applying to normal and anomalous melting alike. An ab initio calculation of {theta}{sub 0}, based on density functional theory, is reported for liquid Na and Cu. Comparison of these calculations with the above analysis of experimental entropy data provides verification of V-T theory. In view of the present results, techniques currently being applied in ab initio simulations of liquid properties can be employed to advantage in the further testing and development of V-T theory.

  18. Antiferromagnetic half metallicity in codoped chalcopyrite semiconductors Cu(Al 1 - 2 xAxBx)Se2 (A and B are 3d transition-metal atoms)

    NASA Astrophysics Data System (ADS)

    Shahjahan, M.; Oguchi, T.

    2016-06-01

    Electronic structures and magnetic properties of group I-III-VI2 chalcopyrite-type compounds Cu(Al 1 - 2 xAxBx)Se2 are calculated using the Korringa-Kohn-Rostoker Green's function method, where A (Ti, V, Cr, Mn) and B (Fe, Co, Ni) are 3d transition metal atoms, and x is atomic concentration. We found that codoping of Cr-Co and V-Ni pairs at Al site of host CuAlSe2 exhibit antiferromagnetic (AF) half metallicity with low Curie temperature (TC). The AF half metallic property is supported by nullified net magnetic moment and compensated density of states in the minority spin direction. On the other hand, codoping of Cr-Ni, Mn-Co, V-Co, and Ti-Co pairs at Al site of host CuAlSe2 manifest ferrimagnetic half metallicity with a small net magnetization and keeping antiparallel local spin moments. In Mn-Co case TC is close to room temperature. Besides, Cr-Fe, V-Fe, and Ti-Ni codoping cases lead to an instable magnetic ordering and therefore obtain a disordered local moment (spin-glass like) state.

  19. Single-Crystal to Single-Crystal Phase Transition and Segmented Thermochromic Luminescence in a Dynamic 3D Interpenetrated Ag(I) Coordination Network.

    PubMed

    Yan, Zhi-Hao; Li, Xiao-Yu; Liu, Li-Wei; Yu, Si-Qi; Wang, Xing-Po; Sun, Di

    2016-02-01

    A new 3D Ag(I)-based coordination network, [Ag2(pz)(bdc)·H2O]n (1; pz = pyrazine and H2bdc = benzene-1,3-dicarboxylic acid), was constructed by one-pot assembly and structurally established by single-crystal X-ray diffraction at different temperatures. Upon cooling from 298 to 93 K, 1 undergo an interesting single-crystal to single-crystal phase transition from orthorhombic Ibca (Z = 16) to Pccn (Z = 32) at around 148 K. Both phases show a rare 2-fold-interpenetrated 4-connected lvt network but incorporate different [Ag2(COO)2] dimeric secondary building units. It is worth mentioning that complex 1 shows red- and blue-shifted luminescences in the 290-170 and 140-80 K temperature ranges, respectively. The variable-temperature single-crystal X-ray crystallographic studies suggest that the argentophilic interactions and rigidity of the structure dominated the luminescence chromism trends at the respective temperature ranges. Upon being mechanically ground, 1 exhibits a slight mechanoluminescence red shift from 589 to 604 nm at 298 K.

  20. Magnetization of ternary alloys based on Fe0.65Ni0.35 invar with 3d transition metal additions: An ab initio study

    NASA Astrophysics Data System (ADS)

    Onoue, Masatoshi; Trimarchi, Giancarlo; Freeman, Arthur J.; Popescu, Voicu; Matsen, Marc R.

    2015-01-01

    Smart susceptors are being developed for use as tooling surfaces in molding machines that use apply electro-magnetic induction heating to mold and form plastics or metal powders into structural parts, e.g., on aerospace and automotive manufacturing lines. The optimal magnetic materials for the induction heating process should have large magnetization, high magnetic permeability, but also small thermal expansion coefficient. The Fe0.65Ni0.35 invar alloy with its negligible thermal expansion coefficient is thus a natural choice for this application. Here, we use density functional theory as implemented through the Korringa-Kohn-Rostoker method within the coherent-potential approximation, to design new alloys with the large magnetization desired for smart susceptor applications. We consider the Fe0.65-xNi0.35-yMx+y alloys derived from Fe0.65Ni0.35 invar adding a third element M = Sc, Ti, V, Cr, Mn, or Co with concentration (x + y) reaching up to 5 at. %. We find that the total magnetization depends linearly on the concentration of M. Specifically, the early 3d transition metals from Sc to Cr decrease the magnetization with respect to that of the invar alloy whereas Mn and Co increase it.

  1. Continuous transitions between composite Fermi liquid and Landau Fermi liquid: A route to fractionalized Mott insulators

    NASA Astrophysics Data System (ADS)

    Barkeshli, Maissam; McGreevy, John

    2012-08-01

    One of the most successful theories of a non-Fermi-liquid metallic state is the composite Fermi-liquid (CFL) theory of the half-filled Landau level. In this paper, we study continuous quantum phase transitions out of the CFL state and into a Landau Fermi liquid, in the limit of no disorder and fixed particle number. This transition can be induced by tuning the bandwidth of the Landau level relative to the interaction energy, for instance through an externally applied periodic potential. We find a transition to the Landau Fermi liquid through a gapless Mott insulator with a Fermi surface of neutral fermionic excitations. In the presence of spatial symmetries, we also find a direct continuous transition between the CFL and the Landau Fermi liquid. The transitions have a number of characteristic observable signatures, including the presence of two crossover temperature scales, resistivity jumps, and vanishing compressibility. When the composite fermions are paired instead, our results imply quantum critical points between various non-Abelian topological states, including the ν=1/2 Moore-Read Pfaffian [Ising × U(1) topological order], a version of the Kitaev B phase (Ising topological order), and paired electronic superconductors. To study such transitions, we use a projective construction of the CFL, which goes beyond the conventional framework of flux attachment to include a broader set of quantum fluctuations. These considerations suggest a possible route to fractionalized Mott insulators by starting with fractional quantum Hall states and tuning the Landau-level bandwidth.

  2. Effect of degree of crosslinking and polymerization of 3D printable polymer/ionic liquid composites on performance of stretchable piezoresistive sensors

    NASA Astrophysics Data System (ADS)

    Lee, Jeongwoo; Faruk Emon, Md Omar; Vatani, Morteza; Choi, Jae-Won

    2017-03-01

    Ionic liquid (IL)/polymer composites (1-ethyl-3-methyl-imidazolium tetrafluoroborate (EMIMBF4)/2-[[(butylamino)carbonyl]oxy]ethyl acrylate (BACOEA)) were fabricated to use as sensing materials for stretchable piezoresistive tactile sensors. The detectability of the IL/polymer composites was enhanced because the ionic transport properties of EMIMBF4 in the composites were improved by the synergic actions between the coordinate sites generated by the local motion of BACOEA chain segments under enough activation energy. The performance of the piezoresistive sensors was investigated with the degree of crosslinking and polymerization of the IL/polymer composites. As the compressive strain was increased, the distance between two electrodes decreased, and the motion of polymer chains and IL occurred, resulting in a decrease in the electrical resistance of the sensors. We have confirmed that the sensitivity of the sensors are affected by the degree of crosslink and polymerization of the IL/polymer composites. In addition, all of the materials (skins, sensing material, and electrode) used in this study are photo-curable, and thus the stretchable piezoresistive tactile sensors can be successfully fabricated by 3D printing.

  3. New insights in the velocity dependency of the external mass transfer coefficient in 2D and 3D porous media for liquid chromatography.

    PubMed

    Deridder, Sander; Desmet, Gert

    2012-03-02

    Numerical calculations of the mobile zone mass transfer rate in a variety of ordered 2D and 3D structures are presented. These calculations are in line with earlier theoretical and experimental findings made in the field of chemical engineering and suggest that the Sherwood-number (Sh(m)) appearing in the mobile phase mass transfer term of the general plate height expression of liquid chromatography is not correctly predicted by the Wilson-Geankoplis--or the Kataoka--or the penetration model expression that have been used up to now to in the field of LC, and that at least more research is needed before these expressions can be continued to be used with confidence. The aforementioned expressions were obtained by neglecting the effect of axial dispersion on the mass transfer process, and it seems that they therefore underestimate the true Sh(m)-number by a factor of 2-5 around the minimum of the van Deemter-curve. New correlations describing the variation of the Sh(m)-coefficient as a function of the reduced velocity for a number of other packing geometries (tetrahedral monolith, 2D pillar array) are proposed. These correlations are in agreement with earlier theoretical and experimental studies showing that at low velocities the local-driving force-based Sh(m)-value is of the order of 10-20 in a packed bed column with an external porosity on the order of 35-40%.

  4. 3D hierarchical assembly of ultrathin MnO2 nanoflakes on silicon nanowires for high performance micro-supercapacitors in Li- doped ionic liquid

    PubMed Central

    Dubal, Deepak P.; Aradilla, David; Bidan, Gérard; Gentile, Pascal; Schubert, Thomas J.S.; Wimberg, Jan; Sadki, Saïd; Gomez-Romero, Pedro

    2015-01-01

    Building of hierarchical core-shell hetero-structures is currently the subject of intensive research in the electrochemical field owing to its potential for making improved electrodes for high-performance micro-supercapacitors. Here we report a novel architecture design of hierarchical MnO2@silicon nanowires (MnO2@SiNWs) hetero-structures directly supported onto silicon wafer coupled with Li-ion doped 1-Methyl-1-propylpyrrolidinium bis(trifluromethylsulfonyl)imide (PMPyrrBTA) ionic liquids as electrolyte for micro-supercapacitors. A unique 3D mesoporous MnO2@SiNWs in Li-ion doped IL electrolyte can be cycled reversibly across a voltage of 2.2 V and exhibits a high areal capacitance of 13 mFcm−2. The high conductivity of the SiNWs arrays combined with the large surface area of ultrathin MnO2 nanoflakes are responsible for the remarkable performance of these MnO2@SiNWs hetero-structures which exhibit high energy density and excellent cycling stability. This combination of hybrid electrode and hybrid electrolyte opens up a novel avenue to design electrode materials for high-performance micro-supercapacitors. PMID:25985388

  5. Microgravity Studies of Liquid-Liquid Phase Transitions in Alumina-Yttria Melts

    NASA Technical Reports Server (NTRS)

    Guynes, Buddy (Technical Monitor); Weber, Richard; Nordine, Paul

    2004-01-01

    The scientific objective of this research is to increase the fundamental knowledge base for liquid- phase processing of technologically important oxide materials. The experimental objective is to define conditions and hardware requirements for microgravity flight experiments to test and expand the experimental hypotheses that: 1. Liquid phase transitions can occur in undercooled melts by a diffusionless process. 2. Onset of the liquid phase transition is accompanied by a large change in the temperature dependence of melt viscosity. Experiments on undercooled YAG (Y3A15012)- and rare earth oxide aluminate composition liquids demonstrated a large departure from an Arrhenian temperature dependence of viscosity. Liquid YAG is nearly inviscid at its 2240 K melting point. Glass fibers were pulled from melts undercooled by ca. 600 K indicating that the viscosity is on the order of 100 Pans (1000 Poise) at 1600 K. This value of viscosity is 500 times greater than that obtained by extrapolation of data for temperatures above the melting point of YAG. These results show that the liquids are extremely fragile and that the onset of the highly non-Arrhenian viscosity-temperature relationship occurs at a temperature considerably below the equilibrium melting point of the solid phases. Further results on undercooled alumina-yttria melts containing 23-42 mole % yttrium oxide indicate that a congruent liquid-liquid phase transition occurs in the undercooled liquids. The rates of transition are inconsistent with a diffusion-limited process. This research is directed to investigation of the scientifically interesting phenomena of polyamorphism and fragility in undercooled rare earth oxide aluminum oxide liquids. The results bear on the technologically important problem of producing high value rare earth-based optical materials.

  6. A superconductor to superfluid phase transition in liquid metallic hydrogen.

    PubMed

    Babaev, Egor; Sudbø, Asle; Ashcroft, N W

    2004-10-07

    Although hydrogen is the simplest of atoms, it does not form the simplest of solids or liquids. Quantum effects in these phases are considerable (a consequence of the light proton mass) and they have a demonstrable and often puzzling influence on many physical properties, including spatial order. To date, the structure of dense hydrogen remains experimentally elusive. Recent studies of the melting curve of hydrogen indicate that at high (but experimentally accessible) pressures, compressed hydrogen will adopt a liquid state, even at low temperatures. In reaching this phase, hydrogen is also projected to pass through an insulator-to-metal transition. This raises the possibility of new state of matter: a near ground-state liquid metal, and its ordered states in the quantum domain. Ordered quantum fluids are traditionally categorized as superconductors or superfluids; these respective systems feature dissipationless electrical currents or mass flow. Here we report a topological analysis of the projected phase of liquid metallic hydrogen, finding that it may represent a new type of ordered quantum fluid. Specifically, we show that liquid metallic hydrogen cannot be categorized exclusively as a superconductor or superfluid. We predict that, in the presence of a magnetic field, liquid metallic hydrogen will exhibit several phase transitions to ordered states, ranging from superconductors to superfluids.

  7. High-resolution 3D structural and optical analyses of hybrid or composite materials by means of scanning probe microscopy combined with the ultramicrotome technique: an example of application to engineering of liquid crystals doped with fluorescent quantum dots

    NASA Astrophysics Data System (ADS)

    Mochalov, Konstantin E.; Efimov, Anton E.; Bobrovsky, Alexey Yu.; Agapov, Igor I.; Chistyakov, Anton A.; Oleinikov, Vladimir A.; Nabiev, Igor

    2013-05-01

    Combination of nanometer-scale 3D structural analysis with optical characterization of the same material is a challenging task. Its results may be important for nanophotonics, materials science, and quality control. We have developed a new technique for complementary high-resolution structural and optical characterization followed by optical spectroscopic and microscopic measurements accompanied by reconstruction of the 3D structure in the same area of the sample. The 3D structure is reconstructed by combination of ultramicrotomic and SPM techniques allowing the study of the 3D distribution of implanted nanoparticles and their effect on the matrix structure. The combination of scanning probe nanotomography (SPN) and optical microspectroscopy makes it possible to direct estimate how the 3D structural characteristics of materials affect their macroscopic optical properties. The technique developed has been applied to the engineering of materials made from cholesteric liquid crystals and fluorescent quantum dots (QDs). These materials permit photochemical patterning and image recording through the changes in the dissymmetry factor of circular polarization of QD emission. The differences in the polarisation images and morphological characteristics of the liquid crystal matrix have proved to be correlated with the arrangement of the areas of homogeneous distribution and nonhomogeneous clustering of QDs. The reconstruction of the 3D structure of the liquid crystal matrix in the areas of homogeneous QD distribution has shown that QDs embedded into cholesteric liquid crystal matrices do not perturb their periodic planar texture. The combined optical/SPM/ultramicrotome technique will be indispensable for evaluating the effects of inorganic nanoparticles on the organisation of organic and liquid crystal matrices, biomedical materials, cells, and tissues.

  8. 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.

  9. Dynamic thermal expansivity of liquids near the glass transition.

    PubMed

    Niss, Kristine; Gundermann, Ditte; Christensen, Tage; Dyre, Jeppe C

    2012-04-01

    Based on previous works on polymers by Bauer et al. [Phys. Rev. E 61, 1755 (2000)], this paper describes a capacitative method for measuring the dynamical expansion coefficient of a viscous liquid. Data are presented for the glass-forming liquid tetramethyl tetraphenyl trisiloxane (DC704) in the ultraviscous regime. Compared to the method of Bauer et al., the dynamical range has been extended by making time-domain experiments and by making very small and fast temperature steps. The modeling of the experiment presented in this paper includes the situation in which the capacitor is not full because the liquid contracts when cooling from room temperature down to around the glass-transition temperature, which is relevant when measuring on a molecular liquid rather than a polymer.

  10. Behavior of supercooled aqueous solutions stemming from hidden liquid-liquid transition in water

    NASA Astrophysics Data System (ADS)

    Biddle, John W.; Holten, Vincent; Anisimov, Mikhail A.

    2014-08-01

    A popular hypothesis that explains the anomalies of supercooled water is the existence of a metastable liquid-liquid transition hidden below the line of homogeneous nucleation. If this transition exists and if it is terminated by a critical point, the addition of a solute should generate a line of liquid-liquid critical points emanating from the critical point of pure metastable water. We have analyzed thermodynamic consequences of this scenario. In particular, we consider the behavior of two systems, H2O-NaCl and H2O-glycerol. We find the behavior of the heat capacity in supercooled aqueous solutions of NaCl, as reported by Archer and Carter [J. Phys. Chem. B 104, 8563 (2000)], to be consistent with the presence of the metastable liquid-liquid transition. We elucidate the non-conserved nature of the order parameter (extent of "reaction" between two alternative structures of water) and the consequences of its coupling with conserved properties (density and concentration). We also show how the shape of the critical line in a solution controls the difference in concentration of the coexisting liquid phases.

  11. Behavior of supercooled aqueous solutions stemming from hidden liquid-liquid transition in water.

    PubMed

    Biddle, John W; Holten, Vincent; Anisimov, Mikhail A

    2014-08-21

    A popular hypothesis that explains the anomalies of supercooled water is the existence of a metastable liquid-liquid transition hidden below the line of homogeneous nucleation. If this transition exists and if it is terminated by a critical point, the addition of a solute should generate a line of liquid-liquid critical points emanating from the critical point of pure metastable water. We have analyzed thermodynamic consequences of this scenario. In particular, we consider the behavior of two systems, H2O-NaCl and H2O-glycerol. We find the behavior of the heat capacity in supercooled aqueous solutions of NaCl, as reported by Archer and Carter [J. Phys. Chem. B 104, 8563 (2000)], to be consistent with the presence of the metastable liquid-liquid transition. We elucidate the non-conserved nature of the order parameter (extent of "reaction" between two alternative structures of water) and the consequences of its coupling with conserved properties (density and concentration). We also show how the shape of the critical line in a solution controls the difference in concentration of the coexisting liquid phases.

  12. Structure and magnetism of a binuclear Cu(II) pyrophosphate: transition to a 3D magnetic behaviour studied by single crystal EPR.

    PubMed

    Sartoris, Rosana P; Nascimento, Otaciro R; Santana, Ricardo C; Perec, Mireille; Baggio, Ricardo F; Calvo, Rafael

    2015-03-14

    A binuclear Cu(II) compound [Cu2(bpa)2(P2O7)(H2O)2]·2.5H2O, 1, (bpa = 2,2'-bipyridylamine), with pairs of Cu(II) ions bridged by one pyrophosphate tetra-anion, was synthesized and crystallized. Its triclinic structure was determined by single-crystal X-ray diffraction. Electron paramagnetic resonance (EPR) spectra of single crystal samples of 1 were recorded for a fixed orientation of the magnetic field (B0) as a function of temperature (T) between 4.7 and 293 K, and at T = 4.7, 50 and 293 K, as a function of the orientation of B0. Below ∼8 K, the spectra are assigned to two types of mononuclear crystal defects hyperfine-coupled to one copper and two nitrogen nuclei. The g-matrices and hyperfine couplings at these T provide information about the structures of these defects. Above 10 K, the spectrum is dominated by the response of the bulk binuclear Cu(II) material, showing hyperfine interactions with two copper nuclei, collapsing to a single peak above 18 K when the units are magnetically connected, and the magnetic behaviour becomes 3D. We attribute the results above 10 K to the interplay of an AFM intrabinuclear exchange interaction J0 = -28(3) cm(-1) (defined as Hex = -J0S1·S2), and three orders of magnitude weaker exchange coupling with average magnitude |J1| ≥ 0.022 cm(-1) between Cu(II) ions in neighbouring binuclear units. The interplays between structure, exchange couplings, magnetic dimension and spin dynamics in the binuclear compound are discussed. A previously unreported situation, where the structure of the spectra arising from the anisotropic spin-spin interaction term (D) within the binuclear unit is averaged out, but the forbidden half field transition is not, is observed and explained.

  13. Characterization by combined optical and FT infrared spectra of 3d-transition metal ions doped-bismuth silicate glasses and effects of gamma irradiation.

    PubMed

    ElBatal, F H; Abdelghany, A M; ElBatal, H A

    2014-03-25

    Optical and infrared absorption spectral measurements were carried out for binary bismuth silicate glass and other derived prepared samples with the same composition and containing additional 0.2% of one of 3d transition metal oxides. The same combined spectroscopic properties were also measured after subjecting the prepared glasses to a gamma dose of 8 Mrad. The experimental optical spectra reveal strong UV-near visible absorption bands from the base and extended to all TMs-doped samples and these specific extended and strong UV-near visible absorption bands are related to the contributions of absorption from both trace iron (Fe(3+)) ions present as contaminated impurities within the raw materials and from absorption of main constituent trivalent bismuth (Bi(3+)) ions. The strong UV-near visible absorption bands are observed to suppress any further UV bands from TM ions. The studied glasses show obvious resistant to gamma irradiation and only small changes are observed upon gamma irradiation. This observed shielding behavior is related to the presence of high Bi(3+) ions with heavy mass causing the observed stability of the optical absorption. Infrared absorption spectra of the studied glasses reveal characteristic vibrational bands due to both modes from silicate network and the sharing of Bi-O linkages and the presence of TMs in the doping level (0.2%) causes no distinct changes within the number or position of the vibrational modes. The presence of high Bi2O3 content (70 mol%) appears to cause stability of the structural building units towards gamma irradiation as revealed by FTIR measurements.

  14. NFE approximation for the e/a determination for 3d-transition metal elements and their intermetallic compounds with Al and Zn

    NASA Astrophysics Data System (ADS)

    Sato, H.; Inukai, M.; Zijlstra, E. S.; Mizutani, U.

    2013-08-01

    First-principles full-potential linearized augmented plane wave (FLAPW) band calculations with subsequent FLAPW-Fourier analyses have been performed for elements from K to Cu in period 4 of the periodic table to determine the effective electrons per atom ratio (e/a). For the series of 3d-transition metals (TM), the determination of the square of the Fermi diameter ? , from which e/a is derived, has been recognized not to be straightforward because of the presence of a huge anomaly associated with the TM-d states across the Fermi level in the energy dispersion relation for electrons outside the muffin-tin sphere. The nearly free electron (NFE) approximation is newly devised to circumvent this difficulty. The centre of gravity energy ? is calculated from the energy distribution of the square of the Fourier coefficients for the FLAPW state ? . The NFE dispersion relation is constructed for the set of ? and ? in combination with the tetrahedron method. The resulting e/a values are distributed over positive numbers in the vicinity of unity for elements from Ti to Co. Instead, the e/a values for the early elements K, Ca and Sc and the late TM elements Ni and Cu were determined to be close to one, two, three, 0.50 and unity, respectively, using our previously designed local reading method. In addition, the composition dependence of e/a values for intermetallic compounds in X-TM (X = Al and Zn) alloy systems was studied to justify an appropriate choice between the local reading and NFE methods for respective elements.

  15. Estimation of liquid volume fraction using ultrasound transit time spectroscopy

    NASA Astrophysics Data System (ADS)

    Al-Qahtani, Saeed M.; Langton, Christian M.

    2016-12-01

    It has recently been proposed that the propagation of an ultrasound wave through complex structures, consisting of two-materials of differing ultrasound velocity, may be considered as an array of parallel ‘sonic rays’, the transit time of each determined by their relative proportion; being a minimum (t min) in entire higher velocity material, and a maximum (t max) in entire lower velocity material. An ultrasound transit time spectrum (UTTS) describes the proportion of sonic rays at an individual transit time. It has previously been demonstrated that the solid volume fraction of a solid:liquid composite, specifically acrylic step-wedges immersed in water, may be reliably estimated from the UTTS. The aim of this research was to investigate the hypothesis that the volume fraction of a two-component liquid mixture, of unequal ultrasound velocity, may also be estimated by UTTS. A through-transmission technique incorporating two 1 MHz ultrasound transducers within a horizontally-aligned cylindrical tube-housing was utilised, the proportion of silicone oil to water being varied from 0% to 100%. The liquid volume fraction was estimated from the UTTS at each composition, the coefficient of determination (R 2%) being 98.9  ±  0.7%. The analysis incorporated a novel signal amplitude normalisation technique to compensate for absorption within the silicone oil. It is therefore envisaged that the parallel sonic ray concept and the derived UTTS may be further applied to the quantification of liquid mixture composition assessment.

  16. Ga, Ca, and 3d transition element (Cr through Zn) partitioning among spinel-lherzolite phases from the Lanzo massif, Italy: Analytical results and crystal chemistry

    SciTech Connect

    Wogelius, R.A.; Fraser, D.G.

    1994-06-01

    Ultramafic rocks exposed in Lanzo massif, Italy is a record of mantle geochemistry, melting, sub-solidus re-equilibration. Plagioclase(+ spinel)-lherzolite samples were analyzed by Scanning Proton Microscopy, other techniques. Previous work postulated partial melting events and a two-stage sub-solidus cooling history; this paper notes Ga enrichment on spinel-clinopyroxene grain boundaries, high Ga and transition element content of spinel, and pyroxene zonation in Ca and Al. Trace element levels in olivine and orthopyroxene are also presented. Zoning trends are interpreted as due to diffusion during cooling. Olivine-clinopyroxene Cr and Ca exchange as well as clinopyroxene and spinel zonation trends indicate that the massif experienced at least two sub-solidus cooling episodes, one at 20 kbar to 1000 C and one at 8 kbar <750C. Ga levels in cores of Lanzo high-Cr spinels are high (82-66 ppM) relative to other mantle spinels (66-40 ppM), indicating enrichment. Ga content of ultramafic spinels apparently increases with Cr content; this may be due to: increased Ga solubility stemming from crystal chemical effects and/or higher Ga activities in associated silicate melts. Thus, during melting, high-Cr residual spinel may tend to buffer solid-phase Ga level. These spinels are not only rich in Ga and Cr (max 26.37 el. wt %), but also in Fe (max 21.07 el. wt %), Mn (max 3400 ppM), and Zn (max 2430 ppM). These enrichments are again due to melt extraction and partitioning into spinel structure. Low Ni (min 1050 ppM) levels are due to unsuccessful competition of Ni with Cr for octahedral structural sites caused by crystal field. Comparisons of change in partitioning vs Cr content among several 3d transition elements for spinels from Lanzo, other localities allow us to separate crystal field effects from bulk chemical effects and to show that in typical assemblages, inversion of olivine-spinel partition coefficient for Ni from <1 to >1 should occur at 11% el. wt. Cr in spinel.

  17. D2-D1 phase transition of columnar liquid crystals

    NASA Astrophysics Data System (ADS)

    Sun, Y. F.; Swift, J.

    1986-04-01

    The D2-D1 phase transition in columnar liquid crystals of the HAT series [e.g., HAT11 (triphenelene hexa-n-dodecanoate)] is discussed within the framework of Landau theory. The order parameters which describe the transition are abstracted from a tensor density function, and are associated with two irreducible representations of the symmetry group of the high-temperature D2 phase. A mechanism for a first-order transition is then suggested in accordance with both theoretical considerations and the experimental result for the D2-D1 transition. Two possible arrangements of the herringbone structure of the D1 phase are obtained, each of which gives six orientational states in the low-temperature D1 phase.

  18. Relationship between the liquid liquid phase transition and dynamic behaviour in the Jagla model

    NASA Astrophysics Data System (ADS)

    Xu, Limei; Ehrenberg, Isaac; Buldyrev, Sergey V.; Stanley, H. Eugene

    2006-09-01

    Using molecular dynamics simulations, we study a spherically symmetric 'two-scale' Jagla potential with both repulsive and attractive ramps. This potential displays a liquid-liquid phase transition with a positively sloped coexistence line ending at a critical point well above the equilibrium melting line. We study the dynamic behaviour in the vicinity of this liquid-liquid critical point. Below the critical point, we find that the dynamics in the more ordered high density liquid (HDL) are much slower then the dynamics in the less ordered low density liquid (LDL). Moreover, the behaviour of the diffusion constant and relaxation time in the HDL phase follows approximately an Arrhenius law, while in the LDL phase the slope of the Arrhenius fit increases upon cooling. Above the critical pressure, as we cool the system at constant pressure, the behaviour of the dynamics smoothly changes with temperature. It resembles the behaviour of the LDL at high temperatures and resembles the behaviour of the HDL at low temperatures. This dynamic crossover happens in the vicinity of the Widom line (the extension of the coexistence line into the one-phase region) which also has a positive slope. Our work suggests a possible general relation between a liquid-liquid phase transition and the change in dynamics.

  19. String theory, quantum phase transitions, and the emergent Fermi liquid.

    PubMed

    Cubrović, Mihailo; Zaanen, Jan; Schalm, Koenraad

    2009-07-24

    A central problem in quantum condensed matter physics is the critical theory governing the zero-temperature quantum phase transition between strongly renormalized Fermi liquids as found in heavy fermion intermetallics and possibly in high-critical temperature superconductors. We found that the mathematics of string theory is capable of describing such fermionic quantum critical states. Using the anti-de Sitter/conformal field theory correspondence to relate fermionic quantum critical fields to a gravitational problem, we computed the spectral functions of fermions in the field theory. By increasing the fermion density away from the relativistic quantum critical point, a state emerges with all the features of the Fermi liquid.

  20. Cluster Monte Carlo and numerical mean field analysis for the water liquid-liquid phase transition

    NASA Astrophysics Data System (ADS)

    Mazza, Marco G.; Stokely, Kevin; Strekalova, Elena G.; Stanley, H. Eugene; Franzese, Giancarlo

    2009-04-01

    Using Wolff's cluster Monte Carlo simulations and numerical minimization within a mean field approach, we study the low temperature phase diagram of water, adopting a cell model that reproduces the known properties of water in its fluid phases. Both methods allow us to study the thermodynamic behavior of water at temperatures, where other numerical approaches - both Monte Carlo and molecular dynamics - are seriously hampered by the large increase of the correlation times. The cluster algorithm also allows us to emphasize that the liquid-liquid phase transition corresponds to the percolation transition of tetrahedrally ordered water molecules.

  1. Comparing two tetraalkylammonium ionic liquids. II. Phase transitions

    NASA Astrophysics Data System (ADS)

    Lima, Thamires A.; Paschoal, Vitor H.; Faria, Luiz F. O.; Ribeiro, Mauro C. C.; Ferreira, Fabio F.; Costa, Fanny N.; Giles, Carlos

    2016-06-01

    Phase transitions of the ionic liquids n-butyl-trimethylammonium bis(trifluoromethanesulfonyl)imide, [N1114][NTf2], and methyl-tributylammonium bis(trifluoromethanesulfonyl)imide, [N1444][NTf2], were investigated by differential scanning calorimetry (DSC), X-ray diffraction (XRD) measurements, and Raman spectroscopy. XRD and Raman spectra were obtained as a function of temperature at atmospheric pressure, and also under high pressure at room temperature using a diamond anvil cell (DAC). [N1444][NTf2] experiences glass transition at low temperature, whereas [N1114][NTf2] crystallizes or not depending on the cooling rate. Both the ionic liquids exhibit glass transition under high pressure. XRD and low-frequency Raman spectra provide a consistent physical picture of structural ordering-disordering accompanying the thermal events of crystallization, glass transition, cold crystallization, pre-melting, and melting. Raman spectra in the high-frequency range of some specific cation and anion normal modes reveal conformational changes of the molecular structures along phase transitions.

  2. Comparing two tetraalkylammonium ionic liquids. II. Phase transitions.

    PubMed

    Lima, Thamires A; Paschoal, Vitor H; Faria, Luiz F O; Ribeiro, Mauro C C; Ferreira, Fabio F; Costa, Fanny N; Giles, Carlos

    2016-06-14

    Phase transitions of the ionic liquids n-butyl-trimethylammonium bis(trifluoromethanesulfonyl)imide, [N1114][NTf2], and methyl-tributylammonium bis(trifluoromethanesulfonyl)imide, [N1444][NTf2], were investigated by differential scanning calorimetry (DSC), X-ray diffraction (XRD) measurements, and Raman spectroscopy. XRD and Raman spectra were obtained as a function of temperature at atmospheric pressure, and also under high pressure at room temperature using a diamond anvil cell (DAC). [N1444][NTf2] experiences glass transition at low temperature, whereas [N1114][NTf2] crystallizes or not depending on the cooling rate. Both the ionic liquids exhibit glass transition under high pressure. XRD and low-frequency Raman spectra provide a consistent physical picture of structural ordering-disordering accompanying the thermal events of crystallization, glass transition, cold crystallization, pre-melting, and melting. Raman spectra in the high-frequency range of some specific cation and anion normal modes reveal conformational changes of the molecular structures along phase transitions.

  3. 3d-3d correspondence revisited

    DOE PAGES

    Chung, Hee -Joong; Dimofte, Tudor; Gukov, Sergei; ...

    2016-04-21

    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. As a result, we also consider the cutting and gluing of 3-manifolds along smooth boundaries and the role played by all flat connections in this operation.

  4. Synthesis, structure and magnetic properties of low dimensional spin systems in the 3d transition metal oxides and superconductivity in magnesium borate

    NASA Astrophysics Data System (ADS)

    Rogado, Nyrissa S.

    The major part of this thesis deals with the synthesis and magnetic characterization of low dimensional spin systems in the 3d transition metal oxides. Such systems are of interest due to the simplicity of their structures, allowing theoretical modeling of their electronic and magnetic behavior. Exotic properties are also often encountered. Studies involving layered magnetic materials based on triangle lattices, in particular, have resulted in many observations of unusual low temperature spin dynamics, and have presented new challenges for the theoretical understanding of magnetic systems. The magnetic properties of some compounds exhibiting these triangle-based lattices are described here in detail. BaNi2V2O8 is a spin-1 antiferromagnet on a honeycomb net. Susceptibility chi(T), specific heat C(T), and neutron diffraction measurements on this compound reveal the onset of antiferromagnetic (AFM) long-range ordering (LRO) close to 50 K. Diffuse diffraction peaks that are characteristic of two-dimensional (2D) short-range order are also observed up to 100 K. chi(T) of Ba(Ni1-xMgx)2V 2O8 shows the gradual disappearance of LRO with doping. Ni3V2O8, Co3V2O 8, and beta-Cu3V2O8 have spin-1, spin-3/2, and spin-1/2 magnetic lattices that are a new anisotropic variant of the Kagome net, wherein edge-sharing MO6 octahedra form the rises and rungs of a "Kagome staircase". The anisotropy largely relieves the geometric frustration, but results in rich magnetic behavior. Characterization of the magnetization of polycrystalline samples of Ni 3V2O8 and Co3V2O8 reveals that the compounds are ferrimagnetic in character. C(T) show four distinct magnetic phase transitions below 9 K for Ni3V2O 8 and two below 11 K for Co3V2O8. In the case of beta-Cu3V2O8, chi(T) and C(T) show the onset of short-range ordering at approximately 75 K, and a magnetic phase transition with the characteristics of antiferromagnetism at around 29 K. The second part of this thesis describes the bulk synthesis of

  5. Modeling texture transitions in cholesteric liquid crystal droplets

    NASA Astrophysics Data System (ADS)

    Selinger, Robin; Gimenez-Pinto, Vianney; Lu, Shin-Ying; Selinger, Jonathan; Konya, Andrew

    2012-02-01

    Cholesteric liquid crystals can be switched reversibly between planar and focal-conic textures, a property enabling their application in bistable displays, liquid crystal writing tablets, e-books, and color switching ``e-skins.'' To explore voltage-pulse induced switching in cholesteric droplets, we perform simulation studies of director dynamics in three dimensions. Electrostatics calculations are solved at each time step using an iterative relaxation method. We demonstrate that as expected, a low amplitude pulse drives the transition from planar to focal conic, while a high amplitude pulse drives the transition from focal conic back to the planar state. We use the model to explore the effects of droplet shape, aspect ratio, and anchoring conditions, with the goal of minimizing both response time and energy consumption.

  6. Electrical Freedericksz transitions in nematic liquid crystals containing ferroelectric nanoparticles

    NASA Astrophysics Data System (ADS)

    Cîrtoaje, Cristina; Petrescu, Emil; Stoian, Victor

    2015-03-01

    A new theoretical approach was elaborated to explain the contradictions reported in many papers about the electric threshold for Freedericksz transition in nematic liquid crystal (NLC) with ferroparticles additives. The free energy density of the mixture was estimated and the contributions of the interaction energy of NLC molecules with ferroparticles surface were calculated. Experimental results for 5CB-BaTiO3 mixture are given.

  7. Surface entropy of liquid transition and noble metals

    NASA Astrophysics Data System (ADS)

    Gosh, R. C.; Das, Ramprosad; Sen, Sumon C.; Bhuiyan, G. M.

    2015-07-01

    Surface entropy of liquid transition and noble metals has been investigated using an expression obtained from the hard-sphere (HS) theory of liquid. The expression is developed from the Mayer's extended surface tension formula [Journal of Non-Crystalline Solids 380 (2013) 42-47]. For interionic interaction in metals, Brettonet-Silbert (BS) pseudopotentials and embedded atom method (EAM) potentials have been used. The liquid structure is described by the variational modified hypernetted chain (VMHNC) theory. The essential ingredient of the expression is the temperature dependent effective HS diameter (or packing fraction), which is calculated from the aforementioned potentials together with the VMHNC theory. The obtained results for the surface entropy using the effective HS diameter are found to be good in agreement with the available experimental as well as other theoretical values.

  8. Disclination Unbinding Transition in Quantum Hall Liquid Crystals

    NASA Astrophysics Data System (ADS)

    Wexler, Carlos

    2002-03-01

    Recent experiments [1] in the transitional region between plateaus of the quantum Hall effect have revealed a plæthora of unusual behavior in the low-temperature magnetotransport: in particular large anisotropies of the longitudinal resistivities are observed at temperatures lower than ca. 150 mK for near half filling of high (N>= 2) Landau levels (LL). the long-wavelength elastic theory for the quantum Hall smectic state starting from the Hartree-Fock approximation. Dislocations and phonons lead to an effective nematic model for T>0. This model undergoes a Kosterlitz-Thouless disclination unbinding transition from a phase with algebraic orientational order into an isotropic phase. Without the use of any fitting parameter, we obtain transition temperatures which are in qualitative agreement with recent experiments which have observed large anisotropies of the longitudinal resistivities in half-filled Landau levels, lending credence to the liquid crystal interpretation [3] of experiments. [[1

  9. The Liquid Glass Transition in Sugars and Sugar Mixtures

    NASA Astrophysics Data System (ADS)

    Seo, Jeong-Ah; Oh, Jiyoung; Kwon, Hyun-Joung; Kim, Hyung Kook; Hwang, Yoon-Hwae

    2006-05-01

    The liquid-glass transition in sugars and sugar mixtures was studied with calorimetry, Brillouin scattering, and dielectric spectroscopy. Sugars are particular interest among other glass forming materials because sugars are main constitution of the biological system and sugar glasses play an important role in preservation and protection of biological cells. We studied a number of sugars and sugar mixtures including glucose, galactose, sucrose, maltose, trehalose, glucose/sucrose, sucrose/trehalose, using calorimetry (DTA and DSC), Brillouin scattering, and dielectric spectroscopy. We found the following: (1) Brillouin scattering technique can be used to determine the glass transition temperature. (2) In sugar mixtures, the volume compression effect from the molecule size and shape played an important role in the glass transition temperature. (3) The origin of the secondary relaxation in glucose-water mixtures maybe relate to the rotation-translation coupling constant in the schematic mode coupling theory.

  10. Non-equilibrium phase transitions in a liquid crystal.

    PubMed

    Dan, K; Roy, M; Datta, A

    2015-09-07

    The present manuscript describes kinetic behaviour of the glass transition and non-equilibrium features of the "Nematic-Isotropic" (N-I) phase transition of a well known liquid crystalline material N-(4-methoxybenzylidene)-4-butylaniline from the effects of heating rate and initial temperature on the transitions, through differential scanning calorimetry (DSC), Fourier transform infrared and fluorescence spectroscopy. Around the vicinity of the glass transition temperature (Tg), while only a change in the baseline of the ΔCp vs T curve is observed for heating rate (β) > 5 K min(-1), consistent with a glass transition, a clear peak for β ≤ 5 K min(-1) and the rapid reduction in the ΔCp value from the former to the latter rate correspond to an order-disorder transition and a transition from ergodic to non-ergodic behaviour. The ln β vs 1000/T curve for the glass transition shows convex Arrhenius behaviour that can be explained very well by a purely entropic activation barrier [Dan et al., Eur. Phys. Lett. 108, 36007 (2014)]. Fourier transform infrared spectroscopy indicates sudden freezing of the out-of-plane distortion vibrations of the benzene rings around the glass transition temperature and a considerable red shift indicating enhanced coplanarity of the benzene rings and, consequently, enhancement in the molecular ordering compared to room temperature. We further provide a direct experimental evidence of the non-equilibrium nature of the N-I transition through the dependence of this transition temperature (TNI) and associated enthalpy change (ΔH) on the initial temperature (at fixed β-values) for the DSC scans. A plausible qualitative explanation based on Mesquita's extension of Landau-deGennes theory [O. N. de Mesquita, Braz. J. Phys. 28, 257 (1998)] has been put forward. The change in the molecular ordering from nematic to isotropic phase has been investigated through fluorescence anisotropy measurements where the order parameter, quantified by the

  11. Non-equilibrium phase transitions in a liquid crystal

    NASA Astrophysics Data System (ADS)

    Dan, K.; Roy, M.; Datta, A.

    2015-09-01

    The present manuscript describes kinetic behaviour of the glass transition and non-equilibrium features of the "Nematic-Isotropic" (N-I) phase transition of a well known liquid crystalline material N-(4-methoxybenzylidene)-4-butylaniline from the effects of heating rate and initial temperature on the transitions, through differential scanning calorimetry (DSC), Fourier transform infrared and fluorescence spectroscopy. Around the vicinity of the glass transition temperature (Tg), while only a change in the baseline of the ΔCp vs T curve is observed for heating rate (β) > 5 K min-1, consistent with a glass transition, a clear peak for β ≤ 5 K min-1 and the rapid reduction in the ΔCp value from the former to the latter rate correspond to an order-disorder transition and a transition from ergodic to non-ergodic behaviour. The ln β vs 1000/T curve for the glass transition shows convex Arrhenius behaviour that can be explained very well by a purely entropic activation barrier [Dan et al., Eur. Phys. Lett. 108, 36007 (2014)]. Fourier transform infrared spectroscopy indicates sudden freezing of the out-of-plane distortion vibrations of the benzene rings around the glass transition temperature and a considerable red shift indicating enhanced coplanarity of the benzene rings and, consequently, enhancement in the molecular ordering compared to room temperature. We further provide a direct experimental evidence of the non-equilibrium nature of the N-I transition through the dependence of this transition temperature (TNI) and associated enthalpy change (ΔH) on the initial temperature (at fixed β-values) for the DSC scans. A plausible qualitative explanation based on Mesquita's extension of Landau-deGennes theory [O. N. de Mesquita, Braz. J. Phys. 28, 257 (1998)] has been put forward. The change in the molecular ordering from nematic to isotropic phase has been investigated through fluorescence anisotropy measurements where the order parameter, quantified by the

  12. Effect of liquid-liquid structure transition on solidification of Sn57Bi43 alloy

    NASA Astrophysics Data System (ADS)

    Li, Mingyang; Zhang, Yongxing; Wu, Chen; Geng, Haoran

    2016-03-01

    In this paper, the effect of the liquid-liquid structure transition (L-LST) on the solidification behaviors and morphologies of Sn57Bi43 alloy was further studied. The liquid structure of Sn57Bi43 was studied with resistivity, thermal analysis and viscosity method. The obvious turning point is observed on resistivity-temperature, DSC and viscosity-temperature curves of Sn57Bi43 alloy. The resistivity increases linearly with increasing temperature before the turning point. These results indicate that temperature-induced liquid-liquid structure transition occurs at 943-1093 K and is reversible, which may be formed by large cooperative motions for molecular rearrangements. What is more, the results show that the undercooling of the eutectic phase increases and the microstructure becomes finer after solidifying from the melt experiencing L-LST. The spacing of eutectic phase decreases markedly. Based on these results explored the melt structure from different aspects, the nature of discontinuity of structural phase transition can be explored and the effect of L-LST on solidification of Sn57Bi43 alloy is studied.

  13. 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?

  14. Anomalous properties and the liquid-liquid phase transition in gallium

    NASA Astrophysics Data System (ADS)

    Li, Renzhong; Sun, Gang; Xu, Limei

    2016-08-01

    A group of materials including water and silicon exhibit many anomalous behaviors, e.g., density anomaly and diffusivity anomaly (increase upon compression). These materials are hypothesized to have a liquid-liquid phase transition (LLPT) and the critical fluctuation in the vicinity of the liquid-liquid critical point is considered as the origin of different anomalies. Liquid gallium was also reported to have a LLPT, yet whether it shows similar water-like anomalies is not yet studied. Using molecular dynamics simulations on a modified embedded-atom model, we study the thermodynamic, dynamic, and structural properties of liquid gallium as well as its LLPT. We find that, similar to water-like materials predicted to have the LLPT, gallium also shows different anomalous behaviors (e.g., density anomaly, diffusivity anomaly, and structural anomaly). We also find that its thermodynamic and structural response functions are continuous and show maxima in the supercritical region, the loci of which asymptotically approach to the other and merge to the Widom line. These phenomena are consistent with the supercritical phenomenon in a category of materials with a liquid-liquid critical point, which could be common features in most materials with a LLPT.

  15. Glass transition of aqueous solutions involving annealing-induced ice recrystallization resolves liquid-liquid transition puzzle of water.

    PubMed

    Zhao, Li-Shan; Cao, Ze-Xian; Wang, Qiang

    2015-10-27

    Liquid-liquid transition of water is an important concept in condensed-matter physics. Recently, it was claimed to have been confirmed in aqueous solutions based on annealing-induced upshift of glass-liquid transition temperature, T(g) . Here we report a universal water-content, X(aqu) , dependence of T(g) for aqueous solutions. Solutions with X(aqu)>X(cr)(aqu)vitrify/devitrify at a constant temperature, ~T(g) , referring to freeze-concentrated phase with X(aqu)left behind ice crystallization. Those solutions with X(aqu)liquid II phase of water'. Our work also provides a reliable method to determine hydration formula and to scrutinize solute-solvent interaction in solution.

  16. Drift Transport in Al2O3-Sheathed 3-D Transparent Conducting Oxide Photoanodes Observed in Liquid Electrolyte-Based Dye-Sensitized Solar Cells

    SciTech Connect

    Liu, Fa-Qian; Zhu, Kai; Li, Tao; Xu, Tao

    2014-04-25

    It has long been taken for granted that electron transport in liquid-electrolyte-based dye-sensitized solar cells (DSSCs) undergoes an ambipolar diffusive transport due to the strong coupling between electrons in the photoanode and the nearby mobile cations in liquid electrolyte, which, therefore, screens off any electric field in the photoanodes and consequently eliminates the possibility for drift transport. In this work, we demonstrate the existence of drift transport in liquid electrolyte-based DSSCs using a thin Al2O3-sheathed 3-dimentional (3-D) fluorinated tin oxide (FTO), as photoanodes. The electron diffusion rate in such 3-D TCO based DSSC exhibits a striking enhancement to the value of ~10–2 cm2/s, about 104 times faster than that of the TiO2 nanoparticle-based DSSCs. The electron diffusion coefficient is independent of the photoelectron density, while intensity modulated photocurrent spectroscopy (IMPS) suggests that the time constants of electron transport exhibit a linear dependence on the bias voltage, a strong indication of drift transport behavior in this 3-D FTO hollow nanobeads-based DSSC, despite the use of liquid I/I3 electrolyte.

  17. Modeling the solid-liquid phase transition in saturated triglycerides

    NASA Astrophysics Data System (ADS)

    Pink, David A.; Hanna, Charles B.; Sandt, Christophe; MacDonald, Adam J.; MacEachern, Ronald; Corkery, Robert; Rousseau, Dérick

    2010-02-01

    We investigated theoretically two competing published scenarios for the melting transition of the triglyceride trilaurin (TL): those of (1) Corkery et al. [Langmuir 23, 7241 (2007)], in which the average state of each TL molecule in the liquid phase is a discotic "Y" conformer whose three chains are dynamically twisted, with an average angle of ˜120° between them, and those of (2) Cebula et al. [J. Am. Oil Chem. Soc. 69, 130 (1992)], in which the liquid-state conformation of the TL molecule in the liquid phase is a nematic h∗-conformer whose three chains are in a modified "chair" conformation. We developed two competing models for the two scenarios, in which TL molecules are in a nematic compact-chair (or "h") conformation, with extended, possibly all-trans, chains at low-temperatures, and in either a Y conformation or an h∗ conformation in the liquid state at temperatures higher than the phase-transition temperature, T∗=319 K. We defined an h-Y model as a realization of the proposal of Corkery et al. [Langmuir 23, 7241 (2007)], and explored its predictions by mapping it onto an Ising model in a temperature-dependent field, performing a mean-field approximation, and calculating the transition enthalpy ΔH. We found that the most plausible realization of the h-Y model, as applied to the solid-liquid phase transition in TL, and likely to all saturated triglycerides, gave a value of ΔH in reasonable agreement with the experiment. We then defined an alternative h-h∗ model as a realization of the proposal of Cebula et al. [J. Am. Oil Chem. Soc. 69, 130 (1992)], in which the liquid phase exhibits an average symmetry breaking similar to an h conformation, but with twisted chains, to see whether it could describe the TL phase transition. The h-h∗ model gave a value of ΔH that was too small by a factor of ˜3-4. We also predicted the temperature dependence of the 1132 cm-1 Raman band for both models, and performed measurements of the ratios of three TL Raman

  18. Glass transition of ionic liquids under high pressure.

    PubMed

    Ribeiro, Mauro C C; Pádua, Agílio A H; Gomes, Margarida F Costa

    2014-06-28

    The glass transition pressure at room temperature, pg, of six ionic liquids based on 1-alkyl-3-methylimidazolium cations and the anions [BF4](-), [PF6](-), and bis(trifluromethanesulfonyl)imide, [NTf2](-), has been obtained from the pressure dependence of the bandwidth of the ruby fluorescence line in diamond anvil cells. Molar volume, Vm(pg), has been estimated by a group contribution model (GCM) developed for the ionic liquids. A density scaling relation, TV(γ), has been considered for the states Vm(pg, 295 K) and Vm(Tg, 0.1 MPa) using the simplifying condition that the viscosity at the glass transition is the same at pg at room temperature and at atmospheric pressure at Tg. Assuming a constant γ over this range of density, a reasonable agreement has been found for the γ determined herein and that of a previous density scaling analysis of ionic liquids viscosities under moderate conditions. Further support for the appropriateness of extrapolating the GCM equation of state to the GPa pressure range is provided by comparing the GCM and an equation of state previously derived in the power law density-scaling regime.

  19. Plethora of transitions during breakup of liquid filaments

    PubMed Central

    Castrejón-Pita, José Rafael; Castrejón-Pita, Alfonso Arturo; Thete, Sumeet Suresh; Sambath, Krishnaraj; Hutchings, Ian M.; Hinch, John; Lister, John R.; Basaran, Osman A.

    2015-01-01

    Thinning and breakup of liquid filaments are central to dripping of leaky faucets, inkjet drop formation, and raindrop fragmentation. As the filament radius decreases, curvature and capillary pressure, both inversely proportional to radius, increase and fluid is expelled with increasing velocity from the neck. As the neck radius vanishes, the governing equations become singular and the filament breaks. In slightly viscous liquids, thinning initially occurs in an inertial regime where inertial and capillary forces balance. By contrast, in highly viscous liquids, initial thinning occurs in a viscous regime where viscous and capillary forces balance. As the filament thins, viscous forces in the former case and inertial forces in the latter become important, and theory shows that the filament approaches breakup in the final inertial–viscous regime where all three forces balance. However, previous simulations and experiments reveal that transition from an initial to the final regime either occurs at a value of filament radius well below that predicted by theory or is not observed. Here, we perform new simulations and experiments, and show that a thinning filament unexpectedly passes through a number of intermediate transient regimes, thereby delaying onset of the inertial–viscous regime. The new findings have practical implications regarding formation of undesirable satellite droplets and also raise the question as to whether similar dynamical transitions arise in other free-surface flows such as coalescence that also exhibit singularities. PMID:25825761

  20. Contrasting fluvial styles across the mid-Pleistocene climate transition in the northern shelf of the South China Sea: Evidence from 3D seismic data

    NASA Astrophysics Data System (ADS)

    Zhuo, Haiteng; Wang, Yingmin; Shi, Hesheng; He, Min; Chen, Weitao; Li, Hua; Wang, Ying; Yan, Weiyao

    2015-12-01

    Multiple successions of buried fluvial channel systems were identified in the Quaternary section of the mid-shelf region of the northern South China Sea, providing a new case study for understanding the interplay between sea level variations and climate change. Using three commercial 3D seismic surveys, accompanied by several 2D lines and a few shallow boreholes, the sequence stratigraphy, seismic geomorphology and stratal architecture of these fluvial channels were carefully investigated. Based on their origin, dimensions, planform geometries and infill architectures, six classes of channel systems, from Class 1 to Class 6, were recognized within five sequences of Quaternary section (SQ1 to SQ5). Three types of fluvial systems among them are incised in their nature, including the trunk incised valleys (Class 1), medium incised valleys (Class 2) and incised tributaries (Class 3). The other three types are unincised, which comprise the trunk channels (Class 4), lateral migrating channels (Class 5) and the stable channels (Class 6). The trunk channels and/or the major valleys that contain braided channels at their base are hypothesized to be a product of deposition from the "big rivers" that have puzzled the sedimentologists for the last decade, providing evidence for the existence of such rivers in the ancient record. Absolute age dates from a few shallow boreholes indicate that the landscapes that were associated with these fluvial systems changed significantly near the completion of the mid-Pleistocene climate transition (MPT), which approximately corresponds to horizon SB2 with an age of ∼0.6 Ma BP. Below SB2, the Early Pleistocene sequence (SQ1) is dominated by a range of different types of unincised fluvial systems. Evidence of incised valleys is absent in SQ1. In contrast, extensive fluvial incision occurred in the successions above horizon SB2 (within SQ2-SQ5). Although recent studies call for increased incision being a product of climate

  1. Dynamical and structural heterogeneities close to liquid-liquid phase transitions: The case of gallium

    NASA Astrophysics Data System (ADS)

    Antonelli, Alex; Cajahuaringa, Samuel; de Koning, Maurice

    2013-03-01

    Liquid-liquid phase transitions (LLPT) have been proposed in order to explain the thermodynamic anomalies exhibited by some liquids. Recently, it was found, through molecular dynamics simulations, that liquid elemental gallium, described by a modified embedded-atom model, exhibits a LLPT between a high-density liquid (HDL) and a low-density liquid (LDL), about 60 K below the melting temperature. In this work, we studied the dynamics of supercooled liquid gallium close to the LLPT. Our results show a large increase in the plateau of the self-intermediate scattering function (β-relaxation process) and in the non-Gaussian parameter, indicating a pronounced dynamical heterogeneity upon the onset of the LLPT. The dynamical heterogeneity of the LDL is closely correlated to its structural heterogeneity, since the fast diffusing atoms belong to high-density domains of predominantly 9-fold coordinated atoms, whereas the slow diffusing ones are mostly in low-density domains of 8-fold coordinated atoms. The energetics suggests that the reason for the sluggish dynamics of LDL is due to its larger cohesive energy as compared to that of the HDL. Work supported by FAPESP, CNPq, CAPES, and FAEPEX/UNICAMP

  2. 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)

  3. Frederiks transition in ferroelectric liquid-crystal nanosuspensions

    NASA Astrophysics Data System (ADS)

    Shelestiuk, Sergii M.; Reshetnyak, Victor Yu.; Sluckin, Timothy J.

    2011-04-01

    We construct a theoretical model of the dielectric properties of a ferroelectric LC nanosuspension (FLCNS), using a generalized Maxwell-Garnett picture. The theory supposes that an FLCNS may as a first approximation be considered as a complex homogeneous dielectric ceramic, thus neglecting positional correlations of the colloidal particles. The FLCNS then consists of an anisotropic matrix with a very low concentration (<1% by volume) of impurity particles. The impurity particles possess both shape and dielectric anisotropy, as well as a permanent electric polarization and strong liquid-crystal director anchoring on the particle surface. We show that the effective dielectric properties for capacitance properties and for effective liquid-crystal free energies do not coincide. We calculate the effect of doping a liquid crystal with ferroelectric impurities on the Frederiks transition. The theory takes account of inclusion shape, dielectric susceptibility, and local field effects. We neglect the possibility of dielectric particle chaining, which appears experimentally not to occur in general. Our calculations suggest, in qualitative agreement with experiment, that doping a nematic liquid crystal with ferroelectric particles, even at very low particle concentration, can in some cases significantly decrease the electric Frederiks threshold field.

  4. Volume phase transitions of cholesteric liquid crystalline gels

    SciTech Connect

    Matsuyama, Akihiko

    2015-05-07

    We present a mean field theory to describe anisotropic deformations of a cholesteric elastomer without solvent molecules and a cholesteric liquid crystalline gel immersed in isotropic solvents at a thermal equilibrium state. Based on the neoclassical rubber theory of nematic elastomers, we derive an elastic energy and a twist distortion energy, which are important to determine the shape of a cholesteric elastomer (or gel). We demonstrate that when the elastic energy dominates in the free energy, the cholesteric elastomer causes a spontaneous compression in the pitch axis and elongates along the director on the plane perpendicular to the pitch axis. Our theory can qualitatively describe the experimental results of a cholesteric elastomer. We also predict the first-order volume phase transitions and anisotropic deformations of a gel at the cholesteric-isotropic phase transition temperature. Depending on a chirality of a gel, we find a prolate or oblate shape of cholesteric gels.

  5. Phase diagrams of orientational transitions in absorbing nematic liquid crystals

    NASA Astrophysics Data System (ADS)

    Zolot'ko, A. S.; Ochkin, V. N.; Smayev, M. P.; Shvetsov, S. A.

    2015-05-01

    A theory of orientational transitions in nematic liquid crystals (NLCs), which employs the expansion of optical torques acting on the NLC director with respect to the rotation angle, has been developed for NLCs with additives of conformationally active compounds under the action of optical and low-frequency electric and magnetic fields. Phase diagrams of NLCs are constructed as a function of the intensity and polarization of the light field, the strength of low-frequency electric field, and a parameter that characterizes the feedback between the rotation of the NLC director and optical torque. Conditions for the occurrence of first- and second-order transitions are determined. The proposed theory agrees with available experimental data.

  6. Phase diagrams of orientational transitions in absorbing nematic liquid crystals

    SciTech Connect

    Zolot’ko, A. S. Ochkin, V. N.; Smayev, M. P.; Shvetsov, S. A.

    2015-05-15

    A theory of orientational transitions in nematic liquid crystals (NLCs), which employs the expansion of optical torques acting on the NLC director with respect to the rotation angle, has been developed for NLCs with additives of conformationally active compounds under the action of optical and low-frequency electric and magnetic fields. Phase diagrams of NLCs are constructed as a function of the intensity and polarization of the light field, the strength of low-frequency electric field, and a parameter that characterizes the feedback between the rotation of the NLC director and optical torque. Conditions for the occurrence of first- and second-order transitions are determined. The proposed theory agrees with available experimental data.

  7. 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

  8. A 3D Nanostructure Based on Transition-Metal Phosphide Decorated Heteroatom-Doped Mesoporous Nanospheres Interconnected with Graphene: Synthesis and Applications.

    PubMed

    Qiu, Shuilai; Xing, Weiyi; Mu, Xiaowei; Feng, Xiaming; Ma, Chao; Yuen, Richard K K; Hu, Yuan

    2016-11-30

    A novel three-dimensional nanostructure based on cobalt phosphide nanoparticles (Co2P NPs) and heteroatom-doped mesoporous carbon spheres interconnected with graphene (3D PZM@Co2P@RGO) was facilely synthesized for the first time, and it was used for enhancing the flame retardancy and toxicity suppression of epoxy resins (EP) via a synergistic effect. Herein, the cross-linked polyphosphazene hollow spheres (PZM) were used as templates for the fabrication of 3D architecture. The 3D architecture based on Co2P-decorated heteroatom-doped carbon sphere and reduced graphene oxide was prepared via a carbonization procedure followed by a hydrothermal self-assembly strategy. The as-prepared material exhibits excellent catalytic activity with regard to the combustion process. Notably, inclusion of incorporating PZM@Co2P@RGO resulted in a dramatic reduction of the fire hazards of EP, such as a 47.9% maximum decrease in peak heat release rate and a 29.2% maximum decrease in total heat release, lower toxic CO yield, and formation of high-graphitized protective char layer. In addition, the mechanism for flame retardancy and toxicity suppression was proposed. It is reasonable to know that the improved flame-retardant performance for EP nanocomposites is attributed to tripartite cooperative effect from respective components (Co2P NPs and RGO) plus the heteroatom-doped carbon spheres.

  9. Boson peak, Ioffe-Regel Crossover, and Liquid-Liquid phase transition in Supercooled Water

    NASA Astrophysics Data System (ADS)

    Kumar, Pradeep

    We have investigated the onset of Boson peak in a model of liquid water which exhibits a clear first-order phase transition between a low-density liquid phase and a high-density liquid phase of water at low temperature and high pressure. We find that the at low pressures, the onset of Boson peak coincides with the Widom-line of the system. At high pressures, the onset occurs at the transition temperature between the two liquids. Furthermore, we show that at both low and high pressure, the frequency of the Boson peak coincides with the Ioffe-Regel crossover of the transverse phonons, suggesting that the breakdown of Debye behavior is a general feature of Ioffe-Regel limit crossover in supercooled water. The frequency of the Boson peak is weakly pressure dependent and decreases with increasing pressure. Our work bridges gap between the experimental results on the Boson peak nanoconfined water and the behavior that one would expect from a bulk system.

  10. Supercritical phenomenon of hydrogen beyond the liquid-liquid phase transition

    NASA Astrophysics Data System (ADS)

    Li, Renzhong; Chen, Ji; Li, Xinzheng; Wang, Enge; Xu, Limei

    2015-06-01

    Using ab initio molecular dynamics simulation, we investigate the supercritical phenomenon associated with the liquid-liquid phase transition of hydrogen by studying the isothermal response functions, such as electric conductivity, molecular dissociation coefficient and isothermal compressibility, with respect to pressure. We find that, along each isotherm in the supercritical region, each of these response functions shows a maximum, the location of which is different for different response functions. As temperature decreases, the loci of these maxima asymptotically converge to a line of zero ordering field, known as the Widom line along which the magnitude of the response function maxima becomes larger and larger until it diverges as the critical point is approached. Thus, our study provides a possible way to locate the liquid-liquid critical point of hydrogen from the supercritical region at lower pressures. It also indicates that the supercritical phonomenon near the critical point of hydrogen is a rather general feature of second-order phase transition, it is not only true for classical systems with weak interactions but also true for highly condensed system with strong inter-atomic interactions.

  11. AE3D

    SciTech Connect

    Spong, Donald A

    2016-06-20

    AE3D solves for the shear Alfven eigenmodes and eigenfrequencies in a torodal magnetic fusion confinement device. The configuration can be either 2D (e.g. tokamak, reversed field pinch) or 3D (e.g. stellarator, helical reversed field pinch, tokamak with ripple). The equations solved are based on a reduced MHD model and sound wave coupling effects are not currently included.

  12. Pattern-induced anchoring transitions in nematic liquid crystals

    NASA Astrophysics Data System (ADS)

    Rojas-Gómez, Óscar A.; Romero-Enrique, José M.; Silvestre, Nuno M.; Telo da Gama, Margarida M.

    2017-02-01

    In this paper we revisit the problem of a nematic liquid crystal in contact with patterned substrates. The substrate is modelled as a periodic array of parallel infinite grooves of well-defined cross-section sculpted on a chemically homogeneous substrate which favours local homeotropic anchoring of the nematic. We consider three cases: a sawtooth, a crenellated and a sinusoidal substrate. We analyse this problem within the modified Frank-Oseen formalism. We argue that, for substrate periodicities much larger than the extrapolation length, the existence of different nematic textures with distinct far-field orientations, as well as the anchoring transitions between them, are associated with the presence of topological defects either on or close to the substrate. For the sawtooth and sinusoidal cases, we observe a homeotropic to planar anchoring transition as the substrate roughness increases. On the other hand, a homeotropic to oblique anchoring transition is observed for crenellated substrates. In this case, the anchoring phase diagram shows a complex dependence on the substrate roughness and substrate anchoring strength.

  13. Pattern-induced anchoring transitions in nematic liquid crystals.

    PubMed

    Rojas-Gómez, Óscar A; Romero-Enrique, José M; Silvestre, Nuno M; Telo da Gama, Margarida M

    2017-02-15

    In this paper we revisit the problem of a nematic liquid crystal in contact with patterned substrates. The substrate is modelled as a periodic array of parallel infinite grooves of well-defined cross-section sculpted on a chemically homogeneous substrate which favours local homeotropic anchoring of the nematic. We consider three cases: a sawtooth, a crenellated and a sinusoidal substrate. We analyse this problem within the modified Frank-Oseen formalism. We argue that, for substrate periodicities much larger than the extrapolation length, the existence of different nematic textures with distinct far-field orientations, as well as the anchoring transitions between them, are associated with the presence of topological defects either on or close to the substrate. For the sawtooth and sinusoidal cases, we observe a homeotropic to planar anchoring transition as the substrate roughness increases. On the other hand, a homeotropic to oblique anchoring transition is observed for crenellated substrates. In this case, the anchoring phase diagram shows a complex dependence on the substrate roughness and substrate anchoring strength.

  14. Structure, Hydrodynamics, and Phase Transition of Freely Suspended Liquid Crystals

    NASA Technical Reports Server (NTRS)

    Clark, Noel A.

    2000-01-01

    Smectic liquid crystals are phases of rod shaped molecules organized into one dimensionally (1D) periodic arrays of layers, each layer being between one and two molecular lengths thick. In the least ordered smectic phases, the smectics A and C, each layer is a two dimensional (2D) liquid. Additionally there are a variety of more ordered smectic phases having hexatic short range translational order or 2D crystalline quasi long range translational order within the layers. The inherent fluid-layer structure and low vapor pressure of smectic liquid crystals enable the long term stabilization of freely suspended, single component, layered fluid films as thin as 30A, a single molecular layer. The layering forces the films to be an integral number of smectic layers thick, quantizing their thickness in layer units and forcing a film of a particular number of layers to be physically homogeneous with respect to its layer structure over its entire area. Optical reflectivity enables the precise determination of the number of layers. These ultrathin freely suspended liquid crystal films are structures of fundamental interest in condensed matter and fluid physics. They are the thinnest known stable condensed phase fluid structures and have the largest surface-to-volume ratio of any stable fluid preparation, making them ideal for the study of the effects of reduced dimensionality on phase behavior and on fluctuation and interface phenomena. Their low vapor pressure and quantized thickness enable the effective use of microgravity to extend the study of basic capillary phenomena to ultrathin fluid films. Freely suspended films have been a wellspring of new liquid crystal physics. They have been used to provide unique experimental conditions for the study of condensed phase transitions in two dimensions. They are the only system in which the hexatic has been unambiguously identified as a phase of matter, and the only physical system in which fluctuations of a 2D XY system and

  15. Experimental investigation of off-stoichiometry and 3d transition metal (Mn, Ni, Cu)-substitution in single-crystalline FePt thin films

    NASA Astrophysics Data System (ADS)

    Ono, Takuya; Nakata, Hitoshi; Moriya, Tomohiro; Kikuchi, Nobuaki; Okamoto, Satoshi; Kitakami, Osamu; Shimatsu, Takehito

    2016-05-01

    In L10 (fct)-FePt thin films, both tuning Fe and Pt concentrations and substitution with third-metal were studied for magnetic characteristic optimization. We investigated single-crystalline FePt-X (X = Mn, Ni, Cu) thin films grown epitaxially on MgO(001) substrates at a substrate temperature of 350 °C by changing Fe, Pt, and X contents, and explored the effects of off-stoichiometry and 3d-metal-substitution. The magnetic moment per atom (m) of FePt-X films as a function of the effective number of valence electrons (neff) in 3d metal sites follows the Slater-Pauling-type trend, by which m decreases by the neff deviation from neff = 8, independently of the X metal and the Pt concentration. The magnetic anisotropy (Ku) exhibits neff dependence similar to m. This trend was almost independent of the Pt concentration after compensation using the theoretical prediction on the relation between Ku and Fe/Pt concentrations. Such a trend has been proved for stoichiometric FePt-X films, but it was clarified as robust against off-stoichiometry. The compensated Ku ( Ku comp ) of FePt-Mn and FePt-Cu followed a similar trend to that predicted by the rigid-band model, although the Ku comp of the FePt-Mn thin films dropped more rapidly than the rigid band calculation. However, it followed the recent first-principles calculation.

  16. Toward the observation of a liquid-liquid phase transition in patchy origami tetrahedra: a numerical study.

    PubMed

    Ciarella, Simone; Gang, Oleg; Sciortino, Francesco

    2016-12-01

    We evaluate the phase diagram of a model of tetrameric particles where the arms of the tetrahedra are made by six hard cylinders. An interacting site is present on each one of the four vertices allowing the particles to form a bonded network. These model particles provide a coarse-grained but realistic representation of recently synthesised DNA origami tetrahedra. We show that the resulting network is sufficiently empty to allow for partial interpenetration and it is sufficiently flexible to avoid crystallisation (at least on the numerical time scale), satisfying both criteria requested for the observation of a liquid-liquid critical point in tetrahedrally coordinated particles. Grand-canonical simulations provide evidence that, in silico, the model is indeed characterised, in addition to the gas-liquid transition, by a transition between two distinct liquid phases. Our results suggest that an experimental observation of a liquid-liquid transition in a colloidal system can be achieved in the near future.

  17. Micro-droplet formation via 3D printed micro channel

    NASA Astrophysics Data System (ADS)

    Jian, Zhen; Zhang, Jiaming; Li, Erqiang; Thoroddsen, Sigurdur T.

    2016-11-01

    Low cost, fast-designed and fast-fabricated 3D micro channel was used to create micro-droplets. Capillary with an outer diameter of 1.5 mm and an inner diameter of 150 μm was inserted into a 3D printed cylindrical channel with a diameter of 2 mm . Flow rate of the two inlets, insert depth, liquid (density, viscosity and surface tension) and solid (roughness, contact angle) properties all play a role in the droplet formation. Different regimes - dripping, jetting, unstable state - were observed in the micro-channel on varying these parameters. With certain parameter combinations, successive formation of micro-droplets with equal size was observed and its size can be much smaller than the smallest channel size. Based on our experimental results, the droplet formation via 3D printed micro T-junction was investigated through direct numerical simulations with a code called Gerris. Reynolds numbers Re = ρUL / μ and Weber numbers We = ρU2 L / σ of the two liquids were introduced to measure the liquid effect. The parameter regime where different physical dynamics occur was studied and the regime transition was observed with certain threshold values. Qualitative and quantitative analysis were performed as well between simulations and experiments.

  18. Exotic quantum phase transitions of 2+1d Dirac fermions, and connections to 2d and 3d topological insulators

    NASA Astrophysics Data System (ADS)

    Slagle, Kevin

    2015-03-01

    Using determinant quantum Monte Carlo simulations, we demonstrate that an extended Hubbard model on a bilayer honeycomb lattice has two novel quantum phase transitions, each with connections to symmetry protected topological states. 1) The first is a continuous phase transition between the weakly interacting gapless Dirac fermion phase and a strongly interacting fully gapped and symmetric trivial phase. Because there is no spontaneous symmetry breaking, this transition cannot be described by the standard Gross-Neveu model. We argue that this phase transition is related to the Z16 classification of the topological superconductor 3He-B phase with interactions. 2) The second is a quantum critical point between a quantum spin Hall insulator with spin Sz conservation and the previously mentioned strongly interacting gapped phase. At the critical point the single particle excitations remain gapped, while spin and charge gaps close. We argue that this transition is described by a bosonic O(4) nonlinear sigma model field theory with a topological Θ-term.

  19. 3-D Seismic Interpretation

    NASA Astrophysics Data System (ADS)

    Moore, Gregory F.

    2009-05-01

    This volume is a brief introduction aimed at those who wish to gain a basic and relatively quick understanding of the interpretation of three-dimensional (3-D) seismic reflection data. The book is well written, clearly illustrated, and easy to follow. Enough elementary mathematics are presented for a basic understanding of seismic methods, but more complex mathematical derivations are avoided. References are listed for readers interested in more advanced explanations. After a brief introduction, the book logically begins with a succinct chapter on modern 3-D seismic data acquisition and processing. Standard 3-D acquisition methods are presented, and an appendix expands on more recent acquisition techniques, such as multiple-azimuth and wide-azimuth acquisition. Although this chapter covers the basics of standard time processing quite well, there is only a single sentence about prestack depth imaging, and anisotropic processing is not mentioned at all, even though both techniques are now becoming standard.

  20. 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.

  1. Acoustic levitation of liquid drops: Dynamics, manipulation and phase transitions.

    PubMed

    Zang, Duyang; Yu, Yinkai; Chen, Zhen; Li, Xiaoguang; Wu, Hongjing; Geng, Xingguo

    2017-03-18

    The technique of acoustic levitation normally produces a standing wave and the potential well of the sound field can be used to trap small objects. Since no solid surface is involved it has been widely applied for the study of fluid physics, nucleation, bio/chemical processes, and various forms of soft matter. In this article, we survey the works on drop dynamics in acoustic levitation, focus on how the dynamic behavior is related to the rheological properties and discuss the possibility to develop a novel rheometer based on this technique. We review the methods and applications of acoustic levitation for the manipulation of both liquid and solid samples and emphasize the important progress made in the study of phase transitions and bio-chemical analysis. We also highlight the possible open areas for future research.

  2. X-ray Diffraction Study of Order-Disorder Phase Transition in CuMPt6 (M=3d Elements) Alloys

    NASA Astrophysics Data System (ADS)

    Ahmed, Ejaz; Takahashi, Miwako; Iwasaki, Hiroshi; Ohshima, Ken-ichi

    2009-01-01

    We investigated the ordering behavior of ternary CuMPt6 alloys with M=Ti, V, Cr, Mn, Fe, Co, and Ni by high-temperature polycrystalline X-ray diffraction. The alloys undergo a phase transition from the fcc disordered state to the Cu3Au-type ordered state, except for the alloy with M=Ni, in which only short-range order forms. The transition temperature Tc is highest (1593 K) for M=Ti and decreases almost monotonically with increasing atomic number to 1153 K for M=Co. The observed dependence of ordering tendency on the atomic number of M is discussed in the light of the theory of ordering in transition-metal alloys and its significance for the study of ordering in ternary alloys.

  3. Bootstrapping 3D fermions

    DOE PAGES

    Iliesiu, Luca; Kos, Filip; Poland, David; ...

    2016-03-17

    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 CT. We observe features in our bounds that coincide with scaling dimensions in the GrossNeveu models at large N. Finally, we also speculate that other features could coincide with a fermionic CFT containing no relevant scalar operators.

  4. Bootstrapping 3D fermions

    SciTech Connect

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

    2016-03-17

    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 CT. We observe features in our bounds that coincide with scaling dimensions in the GrossNeveu models at large N. Finally, we also speculate that other features could coincide with a fermionic CFT containing no relevant scalar operators.

  5. Specific features of insulator-metal transitions under high pressure in crystals with spin crossovers of 3 d ions in tetrahedral environment

    NASA Astrophysics Data System (ADS)

    Lobach, K. A.; Ovchinnikov, S. G.; Ovchinnikova, T. M.

    2015-01-01

    For Mott insulators with tetrahedral environment, the effective Hubbard parameter U eff is obtained as a function of pressure. This function is not universal. For crystals with d 5 configuration, the spin crossover suppresses electron correlations, while for d 4 configurations, the parameter U eff increases after a spin crossover. For d 2 and d 7 configurations, U eff increases with pressure in the high-spin (HS) state and is saturated after the spin crossover. Characteristic features of the insulator-metal transition are considered as pressure increases; it is shown that there may exist cascades of several transitions for various configurations.

  6. Phase transitions and criticality in small systems: vapor-liquid transition in nanoscale spherical cavities.

    PubMed

    Neimark, Alexander V; Vishnyakov, Aleksey

    2006-05-18

    Phase transformations in fluids confined to nanoscale pores, which demonstrate characteristic signatures of first-order phase transitions, have been extensively documented in experiments and molecular simulations. They are characterized by a pronounced hysteresis, which disappears above a certain temperature. A rigorous interpretation of these observations represents a fundamental problem from the point of view of statistical mechanics. Nanoscale systems are essentially small, finite volume systems, in which the concept of the thermodynamic limit is no longer valid, and the statistical ensembles are not equivalent. Here, we present a rigorous approach to the description and molecular simulations of phase transitions and criticality in small confined systems, as illustrated by the example of vapor-liquid transition (capillary condensation) in spherical cavities. The method is based on the analysis of the canonical ensemble isotherms, which can be generated by the gauge cell Monte Carlo simulation method. The method allows one to define the critical temperature of phase transition, conditions of phase equilibrium, limits of stability of metastable states, and nucleation barriers, which determine hysteretic phase transformations.

  7. Fragile-to-strong transition in liquid silica

    NASA Astrophysics Data System (ADS)

    Geske, Julian; Drossel, Barbara; Vogel, Michael

    2016-03-01

    We investigate anomalies in liquid silica with molecular dynamics simulations and present evidence for a fragile-to-strong transition at around 3100 K-3300 K. To this purpose, we studied the structure and dynamical properties of silica over a wide temperature range, finding four indicators of a fragile-to-strong transition. First, there is a density minimum at around 3000 K and a density maximum at 4700 K. The turning point is at 3400 K. Second, the local structure characterized by the tetrahedral order parameter changes dramatically around 3000 K from a higher-ordered, lower-density phase to a less ordered, higher-density phase. Third, the correlation time τ changes from an Arrhenius behavior below 3300 K to a Vogel-Fulcher-Tammann behavior at higher temperatures. Fourth, the Stokes-Einstein relation holds for temperatures below 3000 K, but is replaced by a fractional relation above this temperature. Furthermore, our data indicate that dynamics become again simple above 5000 K, with Arrhenius behavior and a classical Stokes-Einstein relation.

  8. Venus in 3D

    NASA Technical Reports Server (NTRS)

    Plaut, Jeffrey J.

    1993-01-01

    Stereographic images of the surface of Venus which enable geologists to reconstruct the details of the planet's evolution are discussed. The 120-meter resolution of these 3D images make it possible to construct digital topographic maps from which precise measurements can be made of the heights, depths, slopes, and volumes of geologic structures.

  9. 3D photoacoustic imaging

    NASA Astrophysics Data System (ADS)

    Carson, Jeffrey J. L.; Roumeliotis, Michael; Chaudhary, Govind; Stodilka, Robert Z.; Anastasio, Mark A.

    2010-06-01

    Our group has concentrated on development of a 3D photoacoustic imaging system for biomedical imaging research. The technology employs a sparse parallel detection scheme and specialized reconstruction software to obtain 3D optical images using a single laser pulse. With the technology we have been able to capture 3D movies of translating point targets and rotating line targets. The current limitation of our 3D photoacoustic imaging approach is its inability ability to reconstruct complex objects in the field of view. This is primarily due to the relatively small number of projections used to reconstruct objects. However, in many photoacoustic imaging situations, only a few objects may be present in the field of view and these objects may have very high contrast compared to background. That is, the objects have sparse properties. Therefore, our work had two objectives: (i) to utilize mathematical tools to evaluate 3D photoacoustic imaging performance, and (ii) to test image reconstruction algorithms that prefer sparseness in the reconstructed images. Our approach was to utilize singular value decomposition techniques to study the imaging operator of the system and evaluate the complexity of objects that could potentially be reconstructed. We also compared the performance of two image reconstruction algorithms (algebraic reconstruction and l1-norm techniques) at reconstructing objects of increasing sparseness. We observed that for a 15-element detection scheme, the number of measureable singular vectors representative of the imaging operator was consistent with the demonstrated ability to reconstruct point and line targets in the field of view. We also observed that the l1-norm reconstruction technique, which is known to prefer sparseness in reconstructed images, was superior to the algebraic reconstruction technique. Based on these findings, we concluded (i) that singular value decomposition of the imaging operator provides valuable insight into the capabilities of

  10. Solid-liquid transition in polydisperse Lennard-Jones systems

    NASA Astrophysics Data System (ADS)

    Sarkar, Sarmistha; Biswas, Rajib; Santra, Mantu; Bagchi, Biman

    2013-08-01

    We study melting of a face-centered crystalline solid consisting of polydisperse Lennard-Jones spheres with Gaussian polydispersity in size. The phase diagram reproduces the existence of a nearly temperature invariant terminal polydispersity (δt ≃ 0.11), with no signature of reentrant melting. The absence of reentrant melting can be attributed to the influence of the attractive part of the potential upon melting. We find that at terminal polydispersity the fractional density change approaches zero, which seems to arise from vanishingly small compressibility of the disordered phase. At constant temperature and volume fraction the system undergoes a sharp transition from crystalline solid to the disordered amorphous or fluid state with increasing polydispersity. This has been quantified by second- and third-order rotational invariant bond orientational order, as well as by the average inherent structure energy. The translational order parameter also indicates a similar sharp structural change at δ ≃ 0.09 in case of T* = 1.0, ϕ = 0.58. The free energy calculation further supports the sharp nature of the transition. The third-order rotationally invariant bond order shows that with increasing polydispersity, the local cluster favors a more icosahedral arrangement and the system loses its local crystalline symmetry. Interestingly, the value of structure factor S(k) of the amorphous phase at δ ≃ 0.10 (just beyond the solid-liquid transition density at T* = 1) becomes 2.75, which is below the value of 2.85 required for freezing given by the empirical Hansen-Verlet rule of crystallization, well known in the theory of freezing.

  11. Solid-liquid transition in polydisperse Lennard-Jones systems.

    PubMed

    Sarkar, Sarmistha; Biswas, Rajib; Santra, Mantu; Bagchi, Biman

    2013-08-01

    We study melting of a face-centered crystalline solid consisting of polydisperse Lennard-Jones spheres with Gaussian polydispersity in size. The phase diagram reproduces the existence of a nearly temperature invariant terminal polydispersity (δ(t) =/~ 0.11), with no signature of reentrant melting. The absence of reentrant melting can be attributed to the influence of the attractive part of the potential upon melting. We find that at terminal polydispersity the fractional density change approaches zero, which seems to arise from vanishingly small compressibility of the disordered phase. At constant temperature and volume fraction the system undergoes a sharp transition from crystalline solid to the disordered amorphous or fluid state with increasing polydispersity. This has been quantified by second- and third-order rotational invariant bond orientational order, as well as by the average inherent structure energy. The translational order parameter also indicates a similar sharp structural change at δ =/~ 0.09 in case of T(*) = 1.0, φ = 0.58. The free energy calculation further supports the sharp nature of the transition. The third-order rotationally invariant bond order shows that with increasing polydispersity, the local cluster favors a more icosahedral arrangement and the system loses its local crystalline symmetry. Interestingly, the value of structure factor S(k) of the amorphous phase at δ =/~ 0.10 (just beyond the solid-liquid transition density at T(*) = 1) becomes 2.75, which is below the value of 2.85 required for freezing given by the empirical Hansen-Verlet rule of crystallization, well known in the theory of freezing.

  12. 3D Anhydrous proton-transporting nanochannels formed by self-assembly of liquid crystals composed of a sulfobetaine and a sulfonic acid.

    PubMed

    Soberats, Bartolome; Yoshio, Masafumi; Ichikawa, Takahiro; Taguchi, Satomi; Ohno, Hiroyuki; Kato, Takashi

    2013-10-16

    Herein we describe anhydrous proton transportation through 3D interconnected pathways formed by self-assembled molecular complexes. A thermotropic bicontinuous cubic (Cub(bi)) phase has been successfully obtained by mixing a wedge-shaped sulfobetaine with benzenesulfonic acid in different ratios. These ionic complexes exhibit the Cub(bi) phase in a wide range of temperatures, while the single zwitterionic compound shows only a columnar hexagonal phase, and benzenesulfonic acid is nonmesomorphic. Anhydrous proton conduction on the order of 10(-4) S cm(-1) has been achieved for the mixture in the Cub(bi) phase over 100 °C, which can be useful for the development of new electrolytes for the next generation of fuel cells.

  13. Virtual image display as a backlight for 3D.

    PubMed

    Travis, Adrian; MacCrann, Niall; Emerton, Neil; Kollin, Joel; Georgiou, Andreas; Lanier, Jaron; Bathiche, Stephen

    2013-07-29

    We describe a device which has the potential to be used both as a virtual image display and as a backlight. The pupil of the emitted light fills the device approximately to its periphery and the collimated emission can be scanned both horizontally and vertically in the manner needed to illuminate an eye in any position. The aim is to reduce the power needed to illuminate a liquid crystal panel but also to enable a smooth transition from 3D to a virtual image as the user nears the screen.

  14. 3D-printed polylactic acid supports for enhanced ionization efficiency in desorption electrospray mass spectrometry analysis of liquid and gel samples.

    PubMed

    Elviri, Lisa; Foresti, Ruben; Bianchera, Annalisa; Silvestri, Marco; Bettini, Ruggero

    2016-08-01

    The potential of 3D printing technology was here exploited to prepare tailored polylactic acid (PLA) supports for desorption electrospray ionization (DESI) experiments. PLA rough solid supports presenting wells of different shape (i.e. cylindrical, cubic and hemispherical cavities) were designed to accommodate samples of different physical state. The potentials of such supports in terms of sample loading capacity, sensitivity, signal stability were tested by analysing a peptide (i.e. insulin) and an aminoglycoside antibiotic (i.e. gentamicin sulphate) from solution and a chitosan-based gel. The results obtained were compared with those obtained by using a traditional polytetrafluoroethylene (PTFE) support and discussed. By using PLA support on the flat side, signal intensity improved almost twice with respect to PTFE support, whereas with spherical wells a five times improved signal sensitivity and good stability (RSD<6%) were obtained for the analysis of two model molecules. Limits of detection were in the 3-10nM range and linearity was demonstrated for both analytes in the 0.05-0.5μM range for semi-quantitative or quantitative purposes. The use of a well and the set-up of optimal source parameters allowed the analysis of samples in a gel state with good precision (RSD<10%) and accuracy (86±6-102±9%), otherwise difficult to analyse on a flat smooth surface. These findings are of great interest and stimulus to exploit the advantages of 3D printing technology for the development of devices for a DESI source, presenting different shapes or configuration as a function of the sample types.

  15. The effect of 4,4'-bis(N,N-diethylamino) benzophenone on the degree of conversion in liquid photopolymer for dental 3D printing

    PubMed Central

    Lee, Du-Hyeong; Mai, Hang Nga; Yang, Jin-Chul

    2015-01-01

    PURPOSE The purpose of this preliminary study was to investigate the effects of adding 4,4'-bis(N,N-diethylamino) benzophenone (DEABP) as a co-initiator to a binary photoinitiating system (camphorquinone-amine) to analyze on the degree of conversion (DC) of a light-cured resin for dental 3D printing. MATERIALS AND METHODS Cylindrical specimens (N=60, n=30 per group, ø5 mm × 1 mm) were fabricated using bisphenol A glycerolate dimethacrylate (BisGMA) both with and without DEABP. The freshly mixed resins were exposed to light in a custom-made closed chamber with nine light-emitting diode lamps (wavelength: 405 nm; power: 840 mW/cm2) for polymerization at each incidence of light-irradiation at 10, 30, 60, 180, and 300 seconds, while five specimens at a time were evaluated at each given irradiation point. Fourier-transform infrared (FTIR) spectroscopy was used to measure the DC values of the resins. Two-way analysis of variance and the Duncan post hoc test were used to analyze statistically significant differences between the groups and given times (α=.05). RESULTS In the DEABP-containing resin, the DC values were significantly higher at all points in time (P<.001), and also the initial polymerization velocity was faster than in the DEABP-free resin. CONCLUSION The addition of DEABP significantly enhanced the DC values and, thus, could potentially become an efficient photoinitiator when combined with a camphorquinone-amine system and may be utilized as a more advanced photopolymerization system for dental 3D printing. PMID:26576255

  16. BRIEF COMMUNICATIONS: Parametric noise in a nonlinear frequency up-converter of infrared signals by two-photon pumping of 3S-3D and 3S-5S transitions in sodium vapor

    NASA Astrophysics Data System (ADS)

    Galaĭchuk, Yu A.; Kudryashov, V. A.; Strizhevskiĭ, V. L.; Fontaniĭ, V. A.; Yashkir, Yu N.

    1985-07-01

    A systematic analysis was made of the spectral characteristics of resonance four-photon parametric conversion of infrared radiation as a result of two-photon resonance pumping of the 3S-3D and 3S-5S transitions in sodium and the influence of these characteristics on the threshold sensitivity of a parametric conversion detector was investigated. An experimental study was made of the characteristics of the noise radiation generated as a result of hyperparametric scattering. The results obtained can be used to select the optimal parameters of high-sensitivity detectors of weak infrared signals by parametric conversion in alkali metal vapors.

  17. Specific features of insulator-metal transitions under high pressure in crystals with spin crossovers of 3d ions in tetrahedral environment

    SciTech Connect

    Lobach, K. A. Ovchinnikov, S. G.; Ovchinnikova, T. M.

    2015-01-15

    For Mott insulators with tetrahedral environment, the effective Hubbard parameter U{sub eff} is obtained as a function of pressure. This function is not universal. For crystals with d{sup 5} configuration, the spin crossover suppresses electron correlations, while for d{sup 4} configurations, the parameter U{sub eff} increases after a spin crossover. For d{sup 2} and d{sup 7} configurations, U{sub eff} increases with pressure in the high-spin (HS) state and is saturated after the spin crossover. Characteristic features of the insulator-metal transition are considered as pressure increases; it is shown that there may exist cascades of several transitions for various configurations.

  18. On 3d bonding in the transition metal trimers - The electronic structure of equilateral triangle Ca3, Sc3, Sc3(+), and Ti3(+)

    NASA Technical Reports Server (NTRS)

    Walch, S. P.; Bauschlicher, C. W., Jr.

    1985-01-01

    It is pointed out that transition metals and transition metal (TM) compounds are currently of considerable interest because of their relevance to catalysis and to materials science problems such as hydrogen embrittlement and crack propagation in metals. The present paper is concerned with complete active space Self-Consistent Field (SCF) externally contracted configuration interaction (CASSCF/CCI) calculations for the low-lying states of Sc3 and Sc3(+). A comparison is conducted regarding the bonding in the Ca3, Sc3, and Cu3 molecules. This comparison makes it possible to predict general trends for the TM trimers. Attention is given to the qualitative features of the bonding in the TM trimers, the basis sets and other technical details of the calculations, the calculated results for Sc3 and Sc3(+), and conclusions from this work.

  19. Trends in reactivity of electrodeposited 3d transition metals on gold revealed by operando soft x-ray absorption spectroscopy during water splitting

    NASA Astrophysics Data System (ADS)

    Velasco-Vélez, J. J.; Jones, Travis E.; Pfeifer, Verena; Dong, Chung-Li; Chen, Yu-Xun; Chen, Chieh-Ming; Chen, Hsin-Yu; Lu, Ying-Rui; Chen, Jin-Ming; Schlögl, R.; Knop-Gericke, A.; Chuang, C.-H.

    2017-01-01

    We activated gold electrodes for their use as electrocatalyst for water splitting by electrodepositing Cu, Ni and Co. A combination of operando x-ray absorption spectroscopy and potentiometric control under aqueous conditions revealed the trends in reactivity yielded by these electrodes, which are directly associated with the cross- and overpotentials as well as the occupancy of the 3d orbitals. It was found that under anodic polarization the materials electrodeposited on gold suffer from a lack of stability, while under cathodic polarization they exhibit stable behavior. The observed activity is strongly related to the lack of stability shown by these composites under anodic polarization revealing a dynamic process ruled by corrosion. By operando x-ray absorption, we established that the overall enhancement of the activity for the oxygen evolution reaction is directly attributable to the cross-potential and corrosion process of the electrodeposited materials. It is associated with the high potential deposition, which is the origin of the incipient oxidation-corrosion resistance of the lattice. We conclude that the observed trends in the total current are directly associated with the loss of oxygen in the metal-oxide lattice and the subsequent dissolution of metallic ions in the electrolyte under anodic polarization.

  20. Fault linkages and activities in a transition zone of compression to transpression in Hsinchu area, northwestern Taiwan based on 3-D structural geometry

    NASA Astrophysics Data System (ADS)

    Huang, H.; Hu, J.; Huang, S.; Huang, C.

    2010-12-01

    The Taiwan orogenic belt is resulted from the convergence between Philippine Sea plate and Eurasian plate. Serious earthquakes occurred in west and northwest flanks of main mountain belt of the island in 1935 and 1999, caused more than 5000 deaths in total. In addition, Hsinchu Science and Industrial Park (HSIP) located in northwest Taiwan is one of the world's most important areas for semiconductor manufacturing. There are more than 400 technology companies in this park, and accounted for 10% of Taiwan's GDP. Consequently, active Hsincheng and Hsinchu faults in study area become the major threat of the industrial park, thus the understanding of complex subsurface seismogenic structures are crucial issue of earthquake hazard assessment and mitigation in Hsinchu area. Several geological cross sections have been constructed and discussed to suggest possible deep structures of these two major faults in previous study. However, how subsurface fault system and folding intersect still remains unclear and the evolution of fault and fold geometry in Hsinchu area is not fully understood. The main purpose of this study is to clarify the spatial linkage between the major thrust faults, folds, and adjacent transverse structures. In this study, we first construct the NW-SE trending cross-section which is sub-parallel to the regional shortening direction, and then balance this cross section to derive the structure evolution in Hsinchu area. We also incorporate several cross-sections and relocated seismicity to get detail 3D fault geometry for the numerical modeling in order to assess the interseismic strain accumulation and seismic potential based on geodetic measurements.

  1. Determination of the liquid crystals phase transition temperatures using optical rotation effect

    NASA Astrophysics Data System (ADS)

    Niu, Xiao-ling; Liu, Wei-guo; Liu, Peng; Cai, Chang-long

    2011-11-01

    Using optical rotation effect, a sensitive, simple optical analytical system is developed for determining the phase transition temperatures of liquid crystals (LCs). When a monochromatic polarized light passes through LCs sample and analyzer, the light intensity changes with temperature. Especially, during the phase transition process, the intensity varies greatly due to optical rotation effect. The variation of light intensity versus variation of temperature curve shows the phase transition temperatures of LCs clearly. The phase transition temperatures of three cholesteric liquid crystals (ChLCs) and a nematic liquid crystals (NLCs) were detected by this method, and compared with those of the differential scanning calorimetry (DSC) and polarized light microscope (PLM) methods.

  2. Do Practical Standard Coupled Cluster Calculations Agree Better than Kohn–Sham Calculations with Currently Available Functionals When Compared to the Best Available Experimental Data for Dissociation Energies of Bonds to 3d Transition Metals?

    SciTech Connect

    Xu, Xuefei; Zhang, Wenjing; Tang, Mingsheng; Truhlar, Donald G.

    2015-05-12

    Coupled-cluster (CC) methods have been extensively used as the high-level approach in quantum electronic structure theory to predict various properties of molecules when experimental results are unavailable. It is often assumed that CC methods, if they include at least up to connected-triple-excitation quasiperturbative corrections to a full treatment of single and double excitations (in particular, CCSD(T)), and a very large basis set, are more accurate than Kohn–Sham (KS) density functional theory (DFT). In the present work, we tested and compared the performance of standard CC and KS methods on bond energy calculations of 20 3d transition metal-containing diatomic molecules against the most reliable experimental data available, as collected in a database called 3dMLBE20. It is found that, although the CCSD(T) and higher levels CC methods have mean unsigned deviations from experiment that are smaller than most exchange-correlation functionals for metal–ligand bond energies of transition metals, the improvement is less than one standard deviation of the mean unsigned deviation. Furthermore, on average, almost half of the 42 exchange-correlation functionals that we tested are closer to experiment than CCSD(T) with the same extended basis set for the same molecule. The results show that, when both relativistic and core–valence correlation effects are considered, even the very high-level (expensive) CC method with single, double, triple, and perturbative quadruple cluster operators, namely, CCSDT(2)Q, averaged over 20 bond energies, gives a mean unsigned deviation (MUD(20) = 4.7 kcal/mol when one correlates only valence, 3p, and 3s electrons of transition metals and only valence electrons of ligands, or 4.6 kcal/mol when one correlates all core electrons except for 1s shells of transition metals, S, and Cl); and that is similar to some good xc functionals (e.g., B97-1 (MUD(20) = 4.5 kcal/mol) and PW6B95 (MUD(20) = 4.9 kcal/mol)) when the same basis set is used

  3. Quasi-liquid layer theory based on the bulk first-order phase transition

    SciTech Connect

    Ryzhkin, I. A. Petrenko, V. F.

    2009-01-15

    The theory of the superionic phase transition (bulk first-order transition) proposed in [1] is used to explain the existence of a quasi-liquid layer at an ice surface below its melting point. An analytical expression is derived for the quasi-liquid layer thickness. Numerical estimates are made and compared with experiment. Distinction is made between the present model and other quasi-liquid layer theories.

  4. Understanding ferromagnetism and optical absorption in 3d transition metal-doped cubic ZrO{sub 2} with the modified Becke-Johnson exchange-correlation functional

    SciTech Connect

    Boujnah, M.; Zaari, H.; El Kenz, A.; Labrim, H.; Benyoussef, A.; Mounkachi, O.

    2014-03-28

    The electronic structure, magnetic, and optical properties in cubic crystalline phase of Zr{sub 1−x}TM{sub x}O{sub 2} (TM = V, Mn, Fe, and Co) at x = 6.25% are studied using density functional theory with the Generalized Gradient Approximation and the modified Becke-Johnson of the exchange-correlation energy and potential. In our calculations, the zirconia is a p-type semiconductor and has a large band gap. We evaluated the possibility of long-range magnetic order for transition metal ions substituting Zr. Our results show that ferromagnetism is the ground state in V, Mn, and Fe-doped ZrO{sub 2} and have a high value of energy in Mn-doped ZrO{sub 2}. However, in Co-doped ZrO{sub 2}, antiferromagnetic ordering is more stable than the ferromagnetic one. The exchange interaction mechanism has been discussed to explain the responsible of this stability. Moreover, it has been found that the V, Mn, and Fe transition metals provide half-metallic properties considered to be the leading cause, responsible for ferromagnetism. Furthermore, the optical absorption spectra in the TM -doped cubic ZrO{sub 2} are investigated.

  5. Temperature dependence of the structure of protein hydration water and the liquid-liquid transition.

    PubMed

    Accordino, S R; Malaspina, D C; Rodriguez Fris, J A; Alarcón, L M; Appignanesi, G A

    2012-03-01

    We study the temperature dependence of the structure and orientation of the first hydration layers of the protein lysozyme and compare it with the situation for a model homogeneous hydrophobic surface, a graphene sheet. We show that in both cases these layers are significantly better structured than bulk water. The geometrical constraint of the interface makes the water molecules adjacent to the surface lose one water-water hydrogen bond and expel the fourth neighbors away from the surface, lowering local density. We show that a decrease in temperature improves the ordering of the hydration water molecules, preserving such a geometrical effect. For the case of graphene, this favors an ice Ih-like local structuring, similar to the water-air interface but in the opposite way along the c axis of the basal plane (while the vicinal water molecules of the air interface orient a hydrogen atom toward the surface, the oxygens of the water molecules close to the graphene plane orient a lone pair in such a direction). In turn, the case of the first hydration layers of the lysozyme molecule is shown to be more complicated, but still displaying signs of both kinds of behavior, together with a tendency of the proximal water molecules to hydrogen bond to the protein both as donors and as acceptors. Additionally, we make evident the existence of signatures of a liquid-liquid transition (Widom line crossing) in different structural parameters at the temperature corresponding to the dynamic transition incorrectly referred to as "the protein glass transition."

  6. Cryogenic 3D printing for tissue engineering.

    PubMed

    Adamkiewicz, Michal; Rubinsky, Boris

    2015-12-01

    We describe a new cryogenic 3D printing technology for freezing hydrogels, with a potential impact to tissue engineering. We show that complex frozen hydrogel structures can be generated when the 3D object is printed immersed in a liquid coolant (liquid nitrogen), whose upper surface is maintained at the same level as the highest deposited layer of the object. This novel approach ensures that the process of freezing is controlled precisely, and that already printed frozen layers remain at a constant temperature. We describe the device and present results which illustrate the potential of the new technology.

  7. 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.

  8. Spin liquid state in the 3D frustrated antiferromagnet PbCuTe2O6: NMR and muon spin relaxation studies

    DOE PAGES

    Khuntia, P.; Bert, F.; Mendels, P.; ...

    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

  9. Layer thinning transition in an achiral four-ring hockey stick shaped liquid crystal

    NASA Astrophysics Data System (ADS)

    Paul, Manoj Kr.; Nath, Rahul K.; Moths, Brian; Pan, LiDong; Wang, Shun; Deb, Rajdeep; Shen, Yongqiang; Rao, Nandiraju V. S.; Huang, C. C.

    2012-12-01

    Depolarized reflected light microscopy and high resolution optical reflectivity measurements have been conducted on free-standing films of an achiral four-ring hockey stick shaped liquid crystal exhibiting SmA-B2-SmX* transition sequence. A layer thinning transition above the bulk isotropic-SmA phase transition has been observed. This behaviour was highly irreproducible, indicating an irregular layer thinning transition. From optical reflectivity data, both thickness of the free-standing films and the smectic interlayer spacing were determined. This is the first report of the layer thinning transition in a hockey stick shaped liquid crystal.

  10. Changes in adsorption and optical properties of liquid crystal langmuir films at structural phase transition

    NASA Astrophysics Data System (ADS)

    Zaitsev, V. B.; Levshin, N. L.; Khlybov, S. V.; Yudin, S. G.

    2012-12-01

    The adsorption isotherms of water molecules, absorption spectra, and spectra of diffuse scattering and polarization of reflected light are studied for ultrathin Langmuir films prepared based on liquid crystals. A structural phase transition near 70°C is detected. Some specific features of the reflection spectra at the phase transition temperature are found. Suggestions are made regarding the nature of the phase transition.

  11. Multiple Ordering Transitions in a Liquid Stabilized by Low Symmetry Structures

    NASA Astrophysics Data System (ADS)

    Ronceray, Pierre; Harrowell, Peter

    2014-01-01

    We present a numerical study of a lattice model of a liquid characterized by a low-symmetry favored local structure. We find that the freezing point is depressed far enough to reveal an exotic liquid-liquid transition characterized by the appearance of an extended chirality, prior to freezing. The ordered liquid can be readily supercooled to zero temperature, as the combination of critical slowing down and competing crystal polymorphs results in a dramatically slow crystallization process. These results provide an explicit scenario by which the ordering of a liquid can proceed via an intermediate liquid-liquid transition, a scenario that may prove helpful in the analysis of low temperature liquids interacting by more realistic interactions.

  12. Relation between the Widom line and the dynamic crossover in systems with a liquid-liquid phase transition.

    PubMed

    Xu, Limei; Kumar, Pradeep; Buldyrev, S V; Chen, S-H; Poole, P H; Sciortino, F; Stanley, H E

    2005-11-15

    We investigate, for two water models displaying a liquid-liquid critical point, the relation between changes in dynamic and thermodynamic anomalies arising from the presence of the liquid-liquid critical point. We find a correlation between the dynamic crossover and the locus of specific heat maxima C(P)(max) ("Widom line") emanating from the critical point. Our findings are consistent with a possible relation between the previously hypothesized liquid-liquid phase transition and the transition in the dynamics recently observed in neutron scattering experiments on confined water. More generally, we argue that this connection between C(P)(max) and dynamic crossover is not limited to the case of water, a hydrogen bond network-forming liquid, but is a more general feature of crossing the Widom line. Specifically, we also study the Jagla potential, a spherically symmetric two-scale potential known to possess a liquid-liquid critical point, in which the competition between two liquid structures is generated by repulsive and attractive ramp interactions.

  13. Tuning the Liquid-Liquid Transition by Modulating the Hydrogen-Bond Angular Flexibility in a Model for Water

    NASA Astrophysics Data System (ADS)

    Smallenburg, Frank; Sciortino, Francesco

    2015-07-01

    We propose a simple extension of the well known ST2 model for water [F. H. Stillinger and A. Rahman, J. Chem. Phys. 60, 1545 (1974)] that allows for a continuous modification of the hydrogen-bond angular flexibility. We show that the bond flexibility affects the relative thermodynamic stability of the liquid and of the hexagonal (or cubic) ice. On increasing the flexibility, the liquid-liquid critical point, which in the original ST2 model is located in the no-man's land (i.e., the region where ice is the thermodynamically stable phase) progressively moves to a temperature where the liquid is more stable than ice. Our study definitively proves that the liquid-liquid transition in the ST2 model is a genuine phenomenon, of high relevance in all tetrahedral network-forming liquids, including water.

  14. Disorder-driven phase transition in La{sub 0.37}D{sub 0.30}Ca{sub 0.33}MnO{sub 3} (D = Bi, Sm) manganites

    SciTech Connect

    Ade, Ramesh; Singh, R.

    2015-08-15

    In the present work we report the structural, electron spin resonance (ESR) and magnetic properties of La{sub 0.37}D{sub 0.30}Ca{sub 0.33}MnO{sub 3} (D = Bi, Sm) manganites synthesized by sol-gel method. The critical behavior at the critical point, where the system undergoes phase transition from paramagnetic (PM) to ferromagnetic (FM) state, is investigated by using modified-Arrott plots, Kouvel-Fisher method and critical isotherm analysis. Both the samples show second-order phase transition near the critical point. The decrease in magnetization (M), Curie temperature (T{sub C}), evolution of spin or cluster glass behavior and the nature of second-order phase transition compared to the first-order transition reported in the literature for La{sub 0.67}Ca{sub 0.33}MnO{sub 3} are ascribed to disorder caused by the size mismatch of the A-site cations with Bi and Sm doping at La-site.

  15. Twin Peaks - 3D

    NASA Technical Reports Server (NTRS)

    1997-01-01

    The two hills in the distance, approximately one to two kilometers away, have been dubbed the 'Twin Peaks' and are of great interest to Pathfinder scientists as objects of future study. 3D glasses are necessary to identify surface detail. The white areas on the left hill, called the 'Ski Run' by scientists, may have been formed by hydrologic processes.

    The IMP is a stereo imaging system with color capability provided by 24 selectable filters -- twelve filters per 'eye.

    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

  16. 3D and beyond

    NASA Astrophysics Data System (ADS)

    Fung, Y. C.

    1995-05-01

    This conference on physiology and function covers a wide range of subjects, including the vasculature and blood flow, the flow of gas, water, and blood in the lung, the neurological structure and function, the modeling, and the motion and mechanics of organs. Many technologies are discussed. I believe that the list would include a robotic photographer, to hold the optical equipment in a precisely controlled way to obtain the images for the user. Why are 3D images needed? They are to achieve certain objectives through measurements of some objects. For example, in order to improve performance in sports or beauty of a person, we measure the form, dimensions, appearance, and movements.

  17. 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.

  18. Inhibitory effect of quercetin on epithelial to mesenchymal transition in SK-MEL-28 human melanoma cells defined by in vitro analysis on 3D collagen gels

    PubMed Central

    Patel, Dhairya H; Sharma, Neeti

    2016-01-01

    Considering the emerging concept of complementary and alternative medicine under the paucity of effective treatment for melanoma, we aimed to understand the effect of quercetin (Qu) on collagen I-induced epithelial–mesenchymal transition (EMT) in melanoma cells. To investigate the effect of Qu in melanoma cells, we used multiple methods, including real-time reverse transcription polymerase chain reaction, migration assay, and wound healing assay. We found that EMT was altered by Qu in melanoma cells. Qu-treated cells exhibited decreased migration and invasion activities. Mechanistically, a high expression of epithelial markers and a decrease in the expression of mesenchymal markers were found to be associated with reversal of EMT in melanoma cells. Time-dependent apoptosis was observed in Qu-treated melanoma cells, which was further confirmed by the upregulation in the protein levels of Caspase 3, a proapoptotic marker. Thus, our findings suggest Qu as a promising dietary compound under the new complementary and alternative medicine category of therapeutic drugs in the chemoprevention of melanoma. PMID:27799792

  19. The Heat Shock Transcription Factor HSF1 Induces Ovarian Cancer Epithelial-Mesenchymal Transition in a 3D Spheroid Growth Model

    PubMed Central

    Aoisa, Candice; Menzie, Christopher J.; Ubaldini, Ashley

    2016-01-01

    Ovarian cancer is the most lethal gynecological cancer, with over 200,000 women diagnosed each year and over half of those cases leading to death. The proteotoxic stress-responsive transcription factor HSF1 is frequently overexpressed in a variety of cancers and is vital to cellular proliferation and invasion in some cancers. Upon analysis of various patient data sets, we find that HSF1 is frequently overexpressed in ovarian tumor samples. In order to determine the role of HSF1 in ovarian cancer, inducible HSF1 knockdown cell lines were created. Knockdown of HSF1 in SKOV3 and HEY ovarian cancer cell lines attenuates the epithelial-to-mesenchymal transition (EMT) in cells treated with TGFβ, as determined by western blot and quantitative RT-PCR analysis of multiple EMT markers. To further explore the role of HSF1 in ovarian cancer EMT, we cultured multicellular spheroids in a non-adherent environment to simulate early avascular tumors. In the spheroid model, cells more readily undergo EMT; however, EMT inhibition by HSF1 becomes more pronounced in the spheroid model. These findings suggest that HSF1 is important in the ovarian cancer TGFβ response and in EMT. PMID:27997575

  20. Strong magnetoelastic coupling at the transition from harmonic to anharmonic order in NaFe(WO 4)2 with 3 d5 configuration

    NASA Astrophysics Data System (ADS)

    Holbein, S.; Ackermann, M.; Chapon, L.; Steffens, P.; Gukasov, A.; Sazonov, A.; Breunig, O.; Sanders, Y.; Becker, P.; Bohatý, L.; Lorenz, T.; Braden, M.

    2016-09-01

    The crystal structure of the double tungstate NaFe (WO4)2 arises from that of the spin-driven multiferroic MnWO4 by inserting nonmagnetic Na layers. NaFe (WO4)2 exhibits a three-dimensional incommensurate spin-spiral structure at low temperature and zero magnetic field, which, however, competes with commensurate order induced by magnetic field. The incommensurate zero-field phase corresponds to the condensation of a single irreducible representation but it does not imply ferroelectric polarization because spirals with opposite chirality coexist. Sizable anharmonic modulations emerge in this incommensurate structure, which are accompanied by large magnetoelastic anomalies, while the onset of the harmonic order is invisible in the thermal-expansion coefficient. In magnetic fields applied along the monoclinic axis, we observe a first-order transition to a commensurate structure that again is accompanied by large magnetoelastic effects. The large magnetoelastic coupling, a reduction of the b lattice parameter, is thus associated only with the commensurate order. Upon releasing the field at low temperature, the magnetic order transforms to another commensurate structure that considerably differs from the incommensurate low-temperature phase emerging upon zero-field cooling. The latter phase, which exhibits a reduced ordered moment, seems to be metastable.

  1. Growth-dissolution-regrowth transitions of Fe3O4 nanoparticles as building blocks for 3D magnetic nanoparticle clusters under hydrothermal conditions.

    PubMed

    Lin, Mouhong; Huang, Haoliang; Liu, Zuotao; Liu, Yingju; Ge, Junbin; Fang, Yueping

    2013-12-10

    Magnetic nanoparticle clusters (MNCs) are a class of secondary structural materials that comprise chemically defined nanoparticles assembled into clusters of defined size. Herein, MNCs are fabricated through a one-pot solvothermal reaction featuring self-limiting assembly of building blocks and the controlled reorganization process. Such growth-dissolution-regrowth fabrication mechanism overcomes some limitations of conventional solvothermal fabrication methods with regard to restricted available feature size and structural complexity, which can be extended to other oxides (as long as one can be chelated by EDTA-2Na). Based on this method, the nanoparticle size of MNCs is tuned between 6.8 and 31.2 nm at a fixed cluster diameter of 120 nm, wherein the critical size for superparamagnetic-ferromagnetic transition is estimated from 13.5 to 15.7 nm. Control over the nature and secondary structure of MNCs gives an excellent model system to understand the nanoparticle size-dependent magnetic properties of MNCs. MNCs have potential applications in many different areas, while this work evaluates their cytotoxicity and Pb(2+) adsorption capacity as initial application study.

  2. 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

  3. Martian terrain - 3D

    NASA Technical Reports Server (NTRS)

    1997-01-01

    An area of rocky terrain near the landing site of the Sagan Memorial Station can be seen in this image, taken in stereo by the Imager for Mars Pathfinder (IMP) on Sol 3. 3D glasses are necessary to identify surface detail. This image is part of a 3D 'monster' panorama of the area surrounding the landing site.

    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

  4. 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

  5. The accuracy of liquid-liquid phase transition temperatures determined from semiautomated light scattering measurements.

    PubMed

    Dean, Kevin M; Babayco, Christopher B; Sluss, Daniel R B; Williamson, J Charles

    2010-08-21

    The synthetic-method determination of liquid-liquid coexistence curves using semiautomated light scattering instrumentation and stirred samples is based on identifying the coexistence curve transition temperatures (T(cx)) from sudden changes in turbidity associated with droplet formation. Here we use a thorough set of such measurements to evaluate the accuracy of several different analysis methods reported in the literature for assigning T(cx). More than 20 samples each of weakly opalescent isobutyric acid+water and strongly opalescent aniline+hexane were tested with our instrumentation. Transmitted light and scattering intensities at 2 degrees , 24 degrees , and 90 degrees were collected simultaneously as a function of temperature for each stirred sample, and the data were compared with visual observations and light scattering theory. We find that assigning T(cx) to the onset of decreased transmitted light or increased 2 degrees scattering has a potential accuracy of 0.01 K or better for many samples. However, the turbidity due to critical opalescence obscures the identification of T(cx) from the light scattering data of near-critical stirred samples, and no simple rule of interpretation can be applied regardless of collection geometry. At best, when 90 degrees scattering is collected along with transmitted or 2 degrees data, the accuracy of T(cx) is limited to 0.05 K for near-critical samples. Visual determination of T(cx) remains the more accurate approach in this case.

  6. Neutron scattering studies of K3H(SO4)2 and K3D(SO4)2: The particle-in-a-box model for the quantum phase transition

    NASA Astrophysics Data System (ADS)

    Fillaux, François; Cousson, Alain

    2012-08-01

    In the crystal of K3H(SO4)2 or K3D(SO4)2, dimers SO4ṡṡṡHṡṡṡSO4 or SO4ṡṡṡDṡṡṡSO4 are linked by strong centrosymmetric hydrogen or deuterium bonds whose OṡṡṡO length is ≈2.50 Å. We address two open questions. (i) Are H or D sites split or not? (ii) Is there any structural counterpart to the phase transition observed for K3D(SO4)2 at Tc ≈ 85.5 K, which does not exist for K3H(SO4)2? Neutron diffraction by single-crystals at cryogenic or room temperature reveals no structural transition and no resolvable splitting of H or D sites. However, the width of the probability densities suggest unresolved splitting of the wavefunctions suggesting rigid entities HL1/2 -HR1/2 or DL1/2 -DR1/2 whose separation lengths are lH ≈ 0.16 Å or lD ≈ 0.25 Å. The vibrational eigenstates for the center of mass of HL1/2 -HR1/2 revealed by inelastic neutron scattering are amenable to a square-well and we suppose the same potential holds for DL1/2 -DR1/2. In order to explain dielectric and calorimetric measurements of mixed crystals K3D(1 - ρ)Hρ(SO4)2 (0 ⩽ ρ ⩽ 1), we replace the classical notion of order-disorder by the quantum notion of discernible (e.g., DL1/2 -DR1/2) or indiscernible (e.g., HL1/2 -HR1/2) components depending on the separation length of the split wavefunction. The discernible-indiscernible isostructural transition at finite temperatures is induced by a thermal pure quantum state or at 0 K by ρ.

  7. Neutron scattering studies of K3H(SO4)2 and K3D(SO4)2: the particle-in-a-box model for the quantum phase transition.

    PubMed

    Fillaux, François; Cousson, Alain

    2012-08-21

    In the crystal of K(3)H(SO(4))(2) or K(3)D(SO(4))(2), dimers SO(4)···H···SO(4) or SO(4)···D···SO(4) are linked by strong centrosymmetric hydrogen or deuterium bonds whose O···O length is ≈2.50 Å. We address two open questions. (i) Are H or D sites split or not? (ii) Is there any structural counterpart to the phase transition observed for K(3)D(SO(4))(2) at T(c) ≈ 85.5 K, which does not exist for K(3)H(SO(4))(2)? Neutron diffraction by single-crystals at cryogenic or room temperature reveals no structural transition and no resolvable splitting of H or D sites. However, the width of the probability densities suggest unresolved splitting of the wavefunctions suggesting rigid entities H(L1/2)-H(R1/2) or D(L1/2)-D(R1/2) whose separation lengths are l(H) ≈ 0.16 Å or l(D) ≈ 0.25 Å. The vibrational eigenstates for the center of mass of H(L1/2)-H(R1/2) revealed by inelastic neutron scattering are amenable to a square-well and we suppose the same potential holds for D(L1/2)-D(R1/2). In order to explain dielectric and calorimetric measurements of mixed crystals K(3)D((1-ρ))H(ρ)(SO(4))(2) (0 ≤ ρ ≤ 1), we replace the classical notion of order-disorder by the quantum notion of discernible (e.g., D(L1/2)-D(R1/2)) or indiscernible (e.g., H(L1/2)-H(R1/2)) components depending on the separation length of the split wavefunction. The discernible-indiscernible isostructural transition at finite temperatures is induced by a thermal pure quantum state or at 0 K by ρ.

  8. 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.

  9. Going full circle: phase-transition thermodynamics of ionic liquids.

    PubMed

    Preiss, Ulrich; Verevkin, Sergey P; Koslowski, Thorsten; Krossing, Ingo

    2011-05-27

    We present the full enthalpic phase transition cycle for ionic liquids (ILs) as examples of non-classical salts. The cycle was closed for the lattice, solvation, dissociation, and vaporization enthalpies of 30 different ILs, relying on as much experimental data as was available. High-quality dissociation enthalpies were calculated at the G3 MP2 level. From the cycle, we could establish, for the first time, the lattice and solvation enthalpies of ILs with imidazolium ions. For vaporization, lattice, and dissociation enthalpies, we also developed new prediction methods in the course of our investigations. Here, as only single-ion values need to be calculated and the tedious optimization of an ion pair can be circumvented, the computational time is short. For the vaporization enthalpy, a very simple approach was found, using a surface term and the calculated enthalpic correction to the total gas-phase energy. For the lattice enthalpy, the most important constituent proved to be the calculated conductor-like screening model (COSMO) solvation enthalpy in the ideal electric conductor. A similar model was developed for the dissociation enthalpy. According to our assessment, the typical error of the lattice enthalpy would be 9.4 kJ mol(-1), which is less than half the deviation we get when using the (optimized) Kapustinskii equation or the recent volume-based thermodynamics (VBT) theory. In contrast, the non-optimized VBT formula gives lattice enthalpies 20 to 140 kJ mol(-1) lower than the ones we assessed in the cycle, because of the insufficient description of dispersive interactions. Our findings show that quantum-chemical calculations can greatly improve the VBT approaches, which were parameterized for simple, inorganic salts with ideally point-shaped charges. In conclusion, we suggest the term "augmented VBT", or "aVBT", to describe this kind of theoretical approach.

  10. Photoswitching of glass transition temperatures of azobenzene-containing polymers induces reversible solid-to-liquid transitions

    NASA Astrophysics Data System (ADS)

    Zhou, Hongwei; Xue, Changguo; Weis, Philipp; Suzuki, Yasuhito; Huang, Shilin; Koynov, Kaloian; Auernhammer, Günter K.; Berger, Rüdiger; Butt, Hans-Jürgen; Wu, Si

    2016-10-01

    The development of polymers with switchable glass transition temperatures (Tg) can address scientific challenges such as the healing of cracks in high-Tg polymers and the processing of hard polymers at room temperature without using plasticizing solvents. Here, we demonstrate that light can switch the Tg of azobenzene-containing polymers (azopolymers) and induce reversible solid-to-liquid transitions of the polymers. The azobenzene groups in the polymers exhibit reversible cis-trans photoisomerization abilities. Trans azopolymers are solids with Tg above room temperature, whereas cis azopolymers are liquids with Tg below room temperature. Because of the photoinduced solid-to-liquid transitions of these polymers, light can reduce the surface roughness of azopolymer films by almost 600%, repeatedly heal cracks in azopolymers, and control the adhesion of azopolymers for transfer printing. The photoswitching of Tg provides a new strategy for designing healable polymers with high Tg and allows for control over the mechanical properties of polymers with high spatiotemporal resolution.

  11. Magnetic and orbital orders coupled to negative thermal expansion in Mott insulators, Ca2Ru1--xM xO4 (M = 3d transition metal ion)

    NASA Astrophysics Data System (ADS)

    Qi, Tongfei

    Ca2RuO4 is a structurally-driven Mott insulator with a metal-insulator (MI) transition at TMI = 357K, followed by a well-separated antiferromagnetic order at T N = 110 K. Slightly substituting Ru with a 3d transition metal ion M effectively shifts TMI and induces exotic magnetic behavior below TN. Moreover, M doping for Ru produces negative thermal expansion in Ca2Ru1-- xMxO4 (M = Cr, Mn, Fe or Cu); the lattice volume expands on cooling with a total volume expansion ratio, DeltaV/V, reaching as high as 1%. The onset of the negative thermal expansion closely tracks TMI and TN, sharply contrasting classic negative thermal expansion that shows no relevance to electronic properties. In addition, the observed negative thermal expansion occurs near room temperature and extends over a wide temperature interval. These findings underscores new physics driven by a complex interplay between orbital, spin and lattice degrees of freedom. These materials constitute a new class of Negative Thermal Expansion (NTE) materials with novel electronic and magnetic functions. KEYWORDS: Transition Metal Oxide, Ruthenate, Negative Thermal Expansion, Single crystal XRD, Invar Effect, Orbital Ordering, Magnetic Ordering, Jahn-Teller Effect.

  12. Direct Raman evidence for a weak continuous phase transition in liquid water.

    PubMed

    Alphonse, Natalie K; Dillon, Stephanie R; Dougherty, Ralph C; Galligan, Dawn K; Howard, Louis N

    2006-06-22

    This paper presents the Raman depolarization ratio of degassed ultrapure water as a function of temperature, in the range 303.4-314.4 K (30.2-41.2 degrees C). The pressure of the sample was the vapor pressure of water at the measurement temperature. The data provide a direct indication of the existence of a phase transition in the liquid at 307.7 K, 5.8 kPa (34.6 degrees C, 0.057 atm). The minimum in the heat capacity, C(p)(), of water occurs at 34.5 degrees C, 1.0 atm (J. Res. Natl. Bur. Stand. 1939, 23, 197(1)). The minimum in C(p)() is shallow, and the transition is a weak-continuous phase transition. The pressure coefficient of the viscosity of water changes sign as pressure increases for temperatures below 35 degrees C (Nature 1965, 207, 620(2)). The viscosity minimum tracks the liquid phase transition in the P, T plane where it connects with the minimum in the freezing point of pure water in the same plane (Proc. Am. Acad. Arts Sci. 1911-12, 47, 441(3)). Previously we argued (J. Chem. Phys. 1998, 109, 7379(4)) that the minimum in the pressure coefficient of viscosity signaled the elimination of three-dimensional connectivity in liquid water. These observations coupled with recent measurements of the coordination shell of water near 300 K (Science 2004, 304, 995(5)) suggest that the structural component that changes during the phase transition is tetrahedrally coordinated water. At temperatures above the transition, there is no tetrahedrally coordinated water in the liquid and locally planar water structures dominate the liquid structure. Water is a structured liquid with distinct local structures that vary with temperature. Furthermore, liquid water has a liquid-liquid phase transition near the middle of the normal liquid range.

  13. The maximum overlap method: A general and efficient scheme for reducing basis sets. Application to the generation of approximate AO's for the 3 d transition metal atoms and ions

    NASA Astrophysics Data System (ADS)

    Francisco, E.; Seijo, L.; Pueyo, L.

    1986-07-01

    The method of maximum overlap, often applied to the problem of basis set reduction, is formulated in terms of weighted least squares with orthogonality restrictions. An analytical solution for the linear parameters of the reduced set is given. In this form, the method is a general and efficient scheme for reducing basis sets. As an application, orthogonal radial wavefunctions of the STO type have been obtained for the 3 d transition metal atoms and ions by simulation of the high-quality sets of Clementi and Roetti. The performance of the reduction has been evaluated by examining several one- and two-electron interactions. Results of these tests reveal that the new functions are highly accurate simulations of the reference AO's. They appear to be appropriate for molecular and solid state calculations.

  14. Intraoral 3D scanner

    NASA Astrophysics Data System (ADS)

    Kühmstedt, Peter; Bräuer-Burchardt, Christian; Munkelt, Christoph; Heinze, Matthias; Palme, Martin; Schmidt, Ingo; Hintersehr, Josef; Notni, Gunther

    2007-09-01

    Here a new set-up of a 3D-scanning system for CAD/CAM in dental industry is proposed. The system is designed for direct scanning of the dental preparations within the mouth. The measuring process is based on phase correlation technique in combination with fast fringe projection in a stereo arrangement. The novelty in the approach is characterized by the following features: A phase correlation between the phase values of the images of two cameras is used for the co-ordinate calculation. This works contrary to the usage of only phase values (phasogrammetry) or classical triangulation (phase values and camera image co-ordinate values) for the determination of the co-ordinates. The main advantage of the method is that the absolute value of the phase at each point does not directly determine the coordinate. Thus errors in the determination of the co-ordinates are prevented. Furthermore, using the epipolar geometry of the stereo-like arrangement the phase unwrapping problem of fringe analysis can be solved. The endoscope like measurement system contains one projection and two camera channels for illumination and observation of the object, respectively. The new system has a measurement field of nearly 25mm × 15mm. The user can measure two or three teeth at one time. So the system can by used for scanning of single tooth up to bridges preparations. In the paper the first realization of the intraoral scanner is described.

  15. '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.

  16. 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

  17. Using Peltier Cells to Study Solid-Liquid-Vapour Transitions and Supercooling

    ERIC Educational Resources Information Center

    Torzo, Giacomo; Soletta, Isabella; Branca, Mario

    2007-01-01

    We propose an apparatus for teaching experimental thermodynamics in undergraduate introductory courses, using thermoelectric modules and a real-time data acquisition system. The device may be made at low cost, still providing an easy approach to the investigation of liquid-solid and liquid-vapour phase transitions and of metastable states…

  18. On the existence of vapor-liquid phase transition in dusty plasmas

    SciTech Connect

    Kundu, M.; Sen, A.; Ganesh, R.; Avinash, K.

    2014-10-15

    The phenomenon of phase transition in a dusty-plasma system (DPS) has attracted some attention in the past. Earlier Farouki and Hamaguchi [J. Chem. Phys. 101, 9876 (1994)] have demonstrated the existence of a liquid to solid transition in DPS where the dust particles interact through a Yukawa potential. However, the question of the existence of a vapor-liquid (VL) transition in such a system remains unanswered and relatively unexplored so far. We have investigated this problem by performing extensive molecular dynamics simulations which show that the VL transition does not have a critical curve in the pressure versus volume diagram for a large range of the Yukawa screening parameter κ and the Coulomb coupling parameter Γ. Thus, the VL phase transition is found to be super-critical, meaning that this transition is continuous in the dusty plasma model given by Farouki and Hamaguchi. We provide an approximate analytic explanation of this finding by means of a simple model calculation.

  19. Pulsating-gliding transition in the dynamics of levitating liquid nitorgen droplets.

    SciTech Connect

    Snezhko, A.; Jacob, E. B.; Aranson, I. S.; Materials Science Division; Tel-Aviv Univ.

    2008-04-21

    Hot surfaces can cause levitation of small liquid droplets if the temperature is kept above the Leidenfrost point (220 C for water) due to the pressure formed because of rapid evaporation. Here, we demonstrate a new class of pulsating-gliding dynamic transitions in a special setting of the Leidenfrost effect at room temperatures and above a viscous fluid for droplets of liquid nitrogen. A whole range of highly dynamic patterns unfolds when droplets of liquid nitrogen are poured on the surface of another, more viscous liquid at room temperature. We also discovered that the levitating droplets induce vortex motion in the supporting viscous liquid. Depending on the viscosity of the supporting liquid, the nitrogen droplets either adopt an oscillating (pulsating) star-like shape with different azimuthal symmetries (from 2-9 petals) or glide on the surface with random trajectories. Thus, by varying the viscosity of the supporting liquid, we achieve controlled morphology and dynamics of Leidenfrost droplets.

  20. Freedericksz transition in smectic-A liquid crystals doped by ferroelectric nanoparticles

    NASA Astrophysics Data System (ADS)

    Poursamad, J. B.; Hallaji, T.

    2017-01-01

    The structure, orientation and physical properties of liquid crystals is significantly affected by doping of ferroic (ferromagnetic and ferroelectric) nanoparticles into liquid crystals. Behavior of these suspensions in external fields depends on anchoring energy, volume fraction of doped nanoparticles, and sign of dielectric anisotropy of liquid crystals as well as relative orientation of director and local polarization of nanoparticles. Here, the threshold voltage for molecular reorientation (Freedericksz transition) is estimated theoretically in smectic-A liquid crystals doped by spherical ferroelectric nanoparticles, near the smectic-A to smectic-C transition temperature taking into account local electric field effects. It is shown that the threshold voltage is decreased by doping ferroelectric nanoparticles into liquid crystals.

  1. Hysteresis and Kinetic Effects During Liquid-Solid Transitions

    SciTech Connect

    Streitz, F H; Chau, R

    2009-02-17

    We address the fundamental issue of phase transition kinetics in dynamically compressed materials. Focusing on solid bismuth (Bi) as a prototype material, we used a variety of time-resolved experiments including electrical conductivity and velocimetry to study the phase transition kinetics of the solid-solid phase transitions. Simple single shock experiments performed on several low-lying high pressure phases of Bi, revealed surprisingly complex behavior and slow dynamics. Strong hysteresis effects were observed in the transition behavior in experiments where the compressed Bi was allowed to release back across a phase line. These experiments represent the first reported simultaneous use of resistivity and velocimetry in a shock compression experiment, and the first observation of hysteresis effects occurring during dynamic compression and release.

  2. The Boson peak in confined water: An experimental investigation of the liquid-liquid phase transition hypothesis

    NASA Astrophysics Data System (ADS)

    Mallamace, Francesco; Corsaro, Carmelo; Mallamace, Domenico; Wang, Zhe; Chen, Sow-Hsin

    2015-10-01

    The Boson peak (BP) of deeply cooled confined water is studied by using inelastic neutron scattering (INS) in a large interval of the ( P, T) phase plane. By taking into account the different behavior of such a collective vibrational mode in both strong and fragile glasses as well as in glass-forming materials, we were able to determine the Widom line that characterizes supercooled bulk water within the frame of the liquid-liquid phase transition (LLPT) hypothesis. The peak frequency and width of the BP correlated with the water polymorphism of the LLPT scenario, allowing us to distinguish the "low-density liquid" (LDL) and "high-density liquid" (HDL) phases in deeply cooled bulk water.Moreover, the BP properties afford a further confirmation of theWidom line temperature T W as the ( P, T) locus in which the local structure of water transforms from a predominately LDL form to a predominately HDL form.

  3. Structural studies of an organic liquid through the glass transition

    SciTech Connect

    Leheny, R.L.; Menon, N.; Nagel, S.R.; Long Price, D.; Suzuya, K.; Thiyagarajan, P.

    1996-11-01

    We have performed neutron diffraction experiments on deuterated propylene glycol, an organic glass former, at temperatures ranging from where its dynamical response approaches that of normal liquids to below the point where relaxation times appear to diverge. Our studies extend over a very broad range of scattering wave vector (0.01{lt}{ital Q}{lt}30 A{sup {minus}1}). In contrast to models which predict clustering, we find no evidence in the liquid at any temperature for heterogeneities large on molecular scales. However, we do note subtle changes at shorter lengths. Using molecular dynamics simulations to model our results, we identify these changes with increasing density and increasing orientational order induced by hydrogen bonding in the liquid as it cools. Analysis of the orientational correlations between molecules reveals a strong dependence on their relative positions. {copyright} {ital 1996 American Institute of Physics.}

  4. Physical model of the vapor-liquid (insulator-metal) transition in an exciton gas

    SciTech Connect

    Khomkin, A. L. Shumikhin, A. S.

    2015-04-15

    We propose a simple physical model describing the transition of an exciton gas to a conducting exciton liquid. The transition occurs due to cohesive coupling of excitons in the vicinity of the critical point, which is associated with transformation of the exciton ground state to the conduction band and the emergence of conduction electrons. We calculate the cohesion binding energy for the exciton gas and, using it, derive the equations of state, critical parameters, and binodal. The computational method is analogous to that used by us earlier [5] for predicting the vapor-liquid (insulator-metal) phase transition in atomic (hypothetical, free of molecules) hydrogen and alkali metal vapors. The similarity of the methods used for hydrogen and excitons makes it possible to clarify the physical nature of the transition in the exciton gas and to predict more confidently the existence of a new phase transition in atomic hydrogen.

  5. Planar-fingerprint transition in a thermoreversible liquid crystalline gel

    NASA Astrophysics Data System (ADS)

    de Lózar, Alberto; Schöpf, Wolfgang; Rehberg, Ingo; Lafuente, Oscar; Lattermann, Günter

    2005-05-01

    A thermoreversible (physical) gel consisting of a nematic liquid crystal mixed with a small quantity of a chiral organogelator is investigated in the planar configuration. The response of the system to an external electric field reveals multistability within a small hysteresis. The relaxation of the liquid crystal under this field is characterized by two different time scales: a fast one that is connected to the tilt of the director field, and a slow one that describes the reorientation of the chiral structure. In the first case, the relaxation is nonexponential and can be described by a Kohlrausch-Williams-Watts law with a stretching parameter of 0.5.

  6. Glass-to-cryogenic-liquid transitions in aqueous solutions suggested by crack healing

    PubMed Central

    Kim, Chae Un; Tate, Mark W.; Gruner, Sol M.

    2015-01-01

    Observation of theorized glass-to-liquid transitions between low-density amorphous (LDA) and high-density amorphous (HDA) water states had been stymied by rapid crystallization below the homogeneous water nucleation temperature (∼235 K at 0.1 MPa). We report optical and X-ray observations suggestive of glass-to-liquid transitions in these states. Crack healing, indicative of liquid, occurs when LDA ice transforms to cubic ice at 160 K, and when HDA ice transforms to the LDA state at temperatures as low as 120 K. X-ray diffraction study of the HDA to LDA transition clearly shows the characteristics of a first-order transition. Study of the glass-to-liquid transitions in nanoconfined aqueous solutions shows them to be independent of the solute concentrations, suggesting that they represent an intrinsic property of water. These findings support theories that LDA and HDA ice are thermodynamically distinct and that they are continuously connected to two different liquid states of water. PMID:26351671

  7. Glass-to-cryogenic-liquid transitions in aqueous solutions suggested by crack healing.

    PubMed

    Kim, Chae Un; Tate, Mark W; Gruner, Sol M

    2015-09-22

    Observation of theorized glass-to-liquid transitions between low-density amorphous (LDA) and high-density amorphous (HDA) water states had been stymied by rapid crystallization below the homogeneous water nucleation temperature (∼235 K at 0.1 MPa). We report optical and X-ray observations suggestive of glass-to-liquid transitions in these states. Crack healing, indicative of liquid, occurs when LDA ice transforms to cubic ice at 160 K, and when HDA ice transforms to the LDA state at temperatures as low as 120 K. X-ray diffraction study of the HDA to LDA transition clearly shows the characteristics of a first-order transition. Study of the glass-to-liquid transitions in nanoconfined aqueous solutions shows them to be independent of the solute concentrations, suggesting that they represent an intrinsic property of water. These findings support theories that LDA and HDA ice are thermodynamically distinct and that they are continuously connected to two different liquid states of water.

  8. Efficient separation of transition metals from rare earths by an undiluted phosphonium thiocyanate ionic liquid.

    PubMed

    Rout, Alok; Binnemans, Koen

    2016-06-21

    The ionic liquid trihexyl(tetradecyl)phosphonium thiocyanate has been used for the extraction of the transition metal ions Co(ii), Ni(ii), Zn(ii), and the rare-earth ions La(iii), Sm(iii) and Eu(iii) from aqueous solutions containing nitrate or chloride salts. The transition metal ions showed a high affinity for the ionic liquid phase and were efficiently extracted, while the extraction efficiency of the rare-earth ions was low. This difference in extraction behavior enabled separation of the pairs Co(ii)/Sm(iii), Ni(ii)/La(iii) and Zn(ii)/Eu(iii). These separations are relevant for the recycling of rare earths and transition metals from samarium cobalt permanent magnets, nickel metal hydride batteries and lamp phosphors, respectively. The extraction of metal ions from a chloride or nitrate solution with a thiocyanate ionic liquid is an example of "split-anion extraction", where different anions are present in the aqueous and ionic liquid phase. Close to 100% loading was possible for Co(ii) and Zn(ii) up to a concentration of 40 g L(-1) of the transition metal salt in the initial aqueous feed solution, whereas the extraction efficiency for Ni(ii) gradually decreased with increase in the initial feed concentration. Stripping of Co(ii), Zn(ii) and Ni(ii) from the loaded ionic liquid phase was possible by a 15 wt% NH3 solution. The ionic liquid could reused after extraction and stripping.

  9. Full-color holographic 3D printer

    NASA Astrophysics Data System (ADS)

    Takano, Masami; Shigeta, Hiroaki; Nishihara, Takashi; Yamaguchi, Masahiro; Takahashi, Susumu; Ohyama, Nagaaki; Kobayashi, Akihiko; Iwata, Fujio

    2003-05-01

    A holographic 3D printer is a system that produces a direct hologram with full-parallax information using the 3-dimensional data of a subject from a computer. In this paper, we present a proposal for the reproduction of full-color images with the holographic 3D printer. In order to realize the 3-dimensional color image, we selected the 3 laser wavelength colors of red (λ=633nm), green (λ=533nm), and blue (λ=442nm), and we built a one-step optical system using a projection system and a liquid crystal display. The 3-dimensional color image is obtained by synthesizing in a 2D array the multiple exposure with these 3 wavelengths made on each 250mm elementary hologram, and moving recording medium on a x-y stage. For the natural color reproduction in the holographic 3D printer, we take the approach of the digital processing technique based on the color management technology. The matching between the input and output colors is performed by investigating first, the relation between the gray level transmittance of the LCD and the diffraction efficiency of the hologram and second, by measuring the color displayed by the hologram to establish a correlation. In our first experimental results a non-linear functional relation for single and multiple exposure of the three components were found. These results are the first step in the realization of a natural color 3D image produced by the holographic color 3D printer.

  10. Bubbles in liquids with phase transition. Part 1. On phase change of a single vapor bubble in liquid water

    NASA Astrophysics Data System (ADS)

    Dreyer, Wolfgang; Duderstadt, Frank; Hantke, Maren; Warnecke, Gerald

    2012-11-01

    In the forthcoming second part of this paper a system of balance laws for a multi-phase mixture with many dispersed bubbles in liquid is derived where phase transition is taken into account. The exchange terms for mass, momentum and energy explicitly depend on evolution laws for total mass, radius and temperature of single bubbles. Therefore in the current paper we consider a single bubble of vapor and inert gas surrounded by the corresponding liquid phase. The creation of bubbles, e.g. by nucleation is not taken into account. We study the behavior of this bubble due to condensation and evaporation at the interface. The aim is to find evolution laws for total mass, radius and temperature of the bubble, which should be as simple as possible but consider all relevant physical effects. Special attention is given to the effects of surface tension and heat production on the bubble dynamics as well as the propagation of acoustic elastic waves by including slight compressibility of the liquid phase. Separately we study the influence of the three phenomena heat conduction, elastic waves and phase transition on the evolution of the bubble. We find ordinary differential equations that describe the bubble dynamics. It turns out that the elastic waves in the liquid are of greatest importance to the dynamics of the bubble radius. The phase transition has a strong influence on the evolution of the temperature, in particular at the interface. Furthermore the phase transition leads to a drastic change of the water content in the bubble. It is shown that a rebounding bubble is only possible, if it contains in addition an inert gas. In Part 2 of the current paper the equations derived are sought in order to close the system of equations for multi-phase mixture balance laws for dispersed bubbles in liquids involving phase change.

  11. Combustion characteristics in the transition region of liquid fuel sprays

    NASA Technical Reports Server (NTRS)

    Cernansky, N. P.; Namer, I.; Tidona, R. J.

    1984-01-01

    A number of important effects were observed in the droplet size transition region in spray combustion systems. In this region, where the mechanism of flame propagation is transformed from diffusive to premixed dominated combustion, the following effects have been observed: (1) maxima in burning velocity; (2) extension of flammability limits; (3) minima in ignition energy; and (4) minima in NO(x) formation. Unfortunately, because of differences in experimental facilities and limitations in the ranges of experimental data, a unified description of these transition region effects is not available at this time. Consequently, a fundamental experimental investigation was initiated to study the effect of droplet size, size distribution, and operating parameters on these transition region phenomena in a single well controlled spray combustion facility.

  12. Temperature range of the liquid-glass transition

    NASA Astrophysics Data System (ADS)

    Sanditov, D. S.; Darmaev, M. V.; Sanditov, B. D.

    2016-02-01

    It has been shown that the currently used method for calculating the temperature range of δ T g in the glass transition equation qτ g = δ T g as the difference δ T g = ( T 12- T 13) results in overestimated values, which is explained by the assumption of a constant activation energy of glass transition in deriving the calculation equation ( T 12 and T 13 are the temperatures corresponding to the logarithmic viscosity values of logη = 12 and logη = 13). The methods for the evaluation of δ T g using the Williams-Landel-Ferry equation and the model of delocalized atoms are considered, the results of which are in satisfactory agreement with the product qτ g ( q is the cooling rate of the melt and τ g is the structural relaxation time at the glass transition temperature). The calculation of τ g for inorganic glasses and amorphous organic polymers is proposed.

  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. Spherical 3D isotropic wavelets

    NASA Astrophysics Data System (ADS)

    Lanusse, F.; Rassat, A.; Starck, J.-L.

    2012-04-01

    Context. Future cosmological surveys will provide 3D large scale structure maps with large sky coverage, for which a 3D spherical Fourier-Bessel (SFB) analysis in spherical coordinates is natural. Wavelets are particularly well-suited to the analysis and denoising of cosmological data, but a spherical 3D isotropic wavelet transform does not currently exist to analyse spherical 3D data. Aims: The aim of this paper is to present a new formalism for a spherical 3D isotropic wavelet, i.e. one based on the SFB decomposition of a 3D field and accompany the formalism with a public code to perform wavelet transforms. Methods: We describe a new 3D isotropic spherical wavelet decomposition based on the undecimated wavelet transform (UWT) described in Starck et al. (2006). We also present a new fast discrete spherical Fourier-Bessel transform (DSFBT) based on both a discrete Bessel transform and the HEALPIX angular pixelisation scheme. We test the 3D wavelet transform and as a toy-application, apply a denoising algorithm in wavelet space to the Virgo large box cosmological simulations and find we can successfully remove noise without much loss to the large scale structure. Results: We have described a new spherical 3D isotropic wavelet transform, ideally suited to analyse and denoise future 3D spherical cosmological surveys, which uses a novel DSFBT. We illustrate its potential use for denoising using a toy model. All the algorithms presented in this paper are available for download as a public code called MRS3D at http://jstarck.free.fr/mrs3d.html

  15. 3D Elevation Program—Virtual USA in 3D

    USGS Publications Warehouse

    Lukas, Vicki; Stoker, J.M.

    2016-04-14

    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.  

  16. Effect of gold subsurface layer on the surface activity and segregation in Pt/Au/Pt{sub 3}M (where M = 3d transition metals) alloy catalyst from first-principles

    SciTech Connect

    Kim, Chang-Eun; Lim, Dong-Hee; Jang, Jong Hyun; Kim, Hyoung Juhn; Yoon, Sung Pil; Han, Jonghee; Nam, Suk Woo; Hong, Seong-Ahn; Soon, Aloysius E-mail: hchahm@kist.re.kr; Ham, Hyung Chul E-mail: hchahm@kist.re.kr

    2015-01-21

    The effect of a subsurface hetero layer (thin gold) on the activity and stability of Pt skin surface in Pt{sub 3}M system (M = 3d transition metals) is investigated using the spin-polarized density functional theory calculation. First, we find that the heterometallic interaction between the Pt skin surface and the gold subsurface in Pt/Au/Pt{sub 3}M system can significantly modify the electronic structure of the Pt skin surface. In particular, the local density of states projected onto the d states of Pt skin surface near the Fermi level is drastically decreased compared to the Pt/Pt/Pt{sub 3}M case, leading to the reduction of the oxygen binding strength of the Pt skin surface. This modification is related to the increase of surface charge polarization of outmost Pt skin atoms by the electron transfer from the gold subsurface atoms. Furthermore, a subsurface gold layer is found to cast the energetic barrier to the segregation loss of metal atoms from the bulk (inside) region, which can enhance the durability of Pt{sub 3}M based catalytic system in oxygen reduction condition at fuel cell devices. This study highlights that a gold subsurface hetero layer can provide an additional mean to tune the surface activity toward oxygen species and in turn the oxygen reduction reaction, where the utilization of geometric strain already reaches its practical limit.

  17. Transitional liquid crystalline phases between the hexagonal and lamellar phases in ternary cesium N-tetradecanoate-water-additive mixtures

    SciTech Connect

    Blackburn, J.C.; Kilpatrick, P.K. )

    1993-04-01

    The effects of added salt (CsOH, CsCl), long-chain carboxylic acid, and long-chain alcohol on the lyotropic liquid crystalline phase behavior in the cesium n-tetradecanoate (CsTD)-water system is reported. The transitional region between the hexagonal (H) and lamellar (L) phases was the compositional range of focus. Three transitional phases were observed: (i) the ribbon (R) phase, a biaxial phase consisting of cylinders of ellipsoidal cross section; (ii) the viscous isotropic (VI) phase, an isotropic phase thought to consist of interconnected rods on an Ia3d lattice; and (iii) the intermediate (Int) phase, a uniaxial anisotropic phase thought to consist of interconnected rods on a planar lattice. The effect of the additives was to decrease the interfacial curvature of the surfactant head group layer by varying head group repulsion and by varying the surfactant tail volume relative to the surfactant head group area. These changes resulted in formation of transitional phases seeming to possess curvature between that of the cylindrical H phase and the planar L phase. The ionic repulsion between carboxylate head groups was reduced by the addition of CsOH or CsCl, and resulted in destabilization of the VI phase and the formation of the anisotropic Int phase. With the addition of cosurfactants, n-tetradecanoic acid (TDA) and 1-tetradecanol (TDOH), no Int phase was observed. With 7 wt% added TDA the R phase was stabilized up to temperatures of 336 K, above the 330 K temperature limit in the binary CsTD-D[sub 2]O system. In all four systems, sufficient additive (5-10 wt%) resulted in a transition to the L phase, which was stable over a large portion of the compositional range. In order of apparently decreasing mean curvature, the phase sequence is: hexagonal, ribbon, viscous isotropic, intermediate, and lamellar.

  18. 3D culture for cardiac cells.

    PubMed

    Zuppinger, Christian

    2016-07-01

    This review discusses historical milestones, recent developments and challenges in the area of 3D culture models with cardiovascular cell types. Expectations in this area have been raised in recent years, but more relevant in vitro research, more accurate drug testing results, reliable disease models and insights leading to bioartificial organs are expected from the transition to 3D cell culture. However, the construction of organ-like cardiac 3D models currently remains a difficult challenge. The heart consists of highly differentiated cells in an intricate arrangement.Furthermore, electrical “wiring”, a vascular system and multiple cell types act in concert to respond to the rapidly changing demands of the body. Although cardiovascular 3D culture models have been predominantly developed for regenerative medicine in the past, their use in drug screening and for disease models has become more popular recently. Many sophisticated 3D culture models are currently being developed in this dynamic area of life science. This article is part of a Special Issue entitled: Cardiomyocyte Biology: Integration of Developmental and Environmental Cues in the Heart edited by Marcus Schaub and Hughes Abriel.

  19. Simple and Versatile Turbidimetric Monitoring of Bacterial Growth in Liquid Cultures Using a Customized 3D Printed Culture Tube Holder and a Miniaturized Spectrophotometer: Application to Facultative and Strictly Anaerobic Bacteria

    PubMed Central

    Maia, Margarida R. G.; Marques, Sara; Cabrita, Ana R. J.; Wallace, R. John; Thompson, Gertrude; Fonseca, António J. M.; Oliveira, Hugo M.

    2016-01-01

    Here we introduce a novel strategy for turbidimetric monitoring of bacterial growth in liquid culture. The instrumentation comprises a light source, a customized 3D printed culture tube holder and a miniaturized spectrophotometer, connected through optical cables. Due to its small footprint and the possibility to operate with external light, bacterial growth was directly monitored from culture tubes in a simple and versatile fashion. This new portable measurement technique was used to monitor the growth of facultative (Escherichia coli ATCC/25922, and Staphylococcus aureus ATCC/29213) and strictly (Butyrivibrio fibrisolvens JW11, Butyrivibrio proteoclasticus P18, and Propionibacterium acnes DSMZ 1897) anaerobic bacteria. For E. coli and S. aureus, the growth rates calculated from normalized optical density values were compared with those ones obtained using a benchtop spectrophotometer without significant differences (P = 0.256). For the strictly anaerobic species, a high precision (relative standard deviation < 3.5%) was observed between replicates up to 48 h. Regarding its potential for customization, this manifold could accommodate further developments for customized turbidimetric monitoring, such as the use of light-emitting diodes as a light source or flow cells. PMID:27630632

  20. Pressure variation of reentrant transition temperature in liquid crystals

    NASA Astrophysics Data System (ADS)

    Srivastava, A.; Sa, D.; Singh, S.

    2007-02-01

    High pressure experimental studies show that in certain mesogenic materials, the nematic-smectic A (N-Sm A) transition temperature TAN exhibits nonlinear pressure dependence. As a consequence, the material shows reentrant phenomena that is a phase sequence nematic — smectic A — reentrant nematic appears. The characteristic features of this phenomenon have been addressed here within the framework of Landau-de-Gennes theory, where the coupling between nematic and smectic A order parameters (γ, λeff) plays an important role. The cubic coupling γ is chosen to be negative in order to form Sm A phase whereas the biquadratic coupling λeff is made large and positive to obtain reentrant behaviour. In the present work, we incorporate the pressure dependence in the theory through γ and λeff which justifies the experimental pressure dependence in the reentrant transition temperature tilde{T}REAN. The pressure dependence of γ and λeff are employed in the calculation of excess specific heat capacity near the reentrant transition. The computed heat capacity shows strong pressure dependence near the reentrant transition which can be confirmed from high pressure measurement.

  1. Direct measurement of the propagation of the phase-transition region of liquid crystals

    NASA Astrophysics Data System (ADS)

    Sato, Takahiro; Katayama, Kenji

    2017-03-01

    Many types of active matter, such as biological cells, have liquid-crystalline membranes, which are soft and flexible in their interactions with their surroundings and sometimes allow molecular-structural or -orientational changes to extend for long distances, owing to long-range molecular interactions. Despite the technological and fundamental importance of these long-range changes, there is no good physical property with which to express them for the liquid crystal. Here, we show direct measurements of the propagation of structural or orientational changes due to long-range molecular interactions in liquid crystals. We induced a patterned phase transition in a liquid crystal via illumination with a fringe pattern and observed the propagation of the phase-transition region. We determined that the propagation occurred in a ballistic manner with a velocity of 80–110 m/s and that two types of propagation—side-by-side and head-to-tail molecular interactions—were found.

  2. Dimensionless ratios: Characteristics of quantum liquids and their phase transitions

    NASA Astrophysics Data System (ADS)

    Yu, Yi-Cong; Chen, Yang-Yang; Lin, Hai-Qing; Römer, Rudolf A.; Guan, Xi-Wen

    2016-11-01

    Dimensionless ratios of physical properties can characterize low-temperature phases in a wide variety of materials. As such, the Wilson ratio (WR), the Kadowaki-Woods ratio, and the Wiedemann-Franz law capture essential features of Fermi liquids in metals, heavy fermions, etc. Here we prove that the phases of many-body interacting multicomponent quantum liquids in one dimension (1D) can be described by WRs based on the compressibility, susceptibility, and specific heat associated with each component. These WRs arise due to additivity rules within subsystems reminiscent of the rules for multiresistor networks in series and parallel—a novel and useful characteristic of multicomponent Tomonaga-Luttinger liquids (TLL) independent of microscopic details of the systems. Using experimentally realized multispecies cold atomic gases as examples, we prove that the Wilson ratios uniquely identify phases of TLL, while providing universal scaling relations at the boundaries between phases. Their values within a phase are solely determined by the stiffnesses and sound velocities of subsystems and identify the internal degrees of freedom of said phase such as its spin degeneracy. This finding can be directly applied to a wide range of 1D many-body systems and reveals deep physical insights into recent experimental measurements of the universal thermodynamics in ultracold atoms and spins.

  3. Magnetic-field induced orientational transition in a helicoidal liquid-crystalline antiferromagnet

    NASA Astrophysics Data System (ADS)

    Zakhlevnykh, A. N.; Kuznetsova, K. V.

    2016-11-01

    The magnetic-field induced orientational transition in helicoidal liquid-crystalline antiferromagnets representing compensated suspensions of magnetic nanoparticles in cholesteric liquid crystals is theoretically studied. The untwisting of a helicoidal structure and the behavior of mean magnetization as a function of the field strength and material parameters are investigated. It is shown that the magnetic subsystems in the field-untwisted ferronematic phase are not completely compensated, and the ferronematic phase is ferrimagnetic.

  4. Effects of confinement on the glass transition temperature of molecular liquids

    SciTech Connect

    Zhang, J.; Liu, G.; Jonas, J.

    1992-04-16

    Differential scanning calorimetry was used to analyze the effects of confinement on the glass transition of temperature, T{sub g}, of several molecular liquids in porous silica glasses. For all the liquids, confinement lowers the observed T{sub g}. A linear relationship between the inverse of the silica glass pore radius and T{sub g} was also observed. The relative temperature depression due to confinement was less than the freezing point depression. 40 refs., 1 fig., 1 tab.

  5. 3D World Building System

    ScienceCinema

    None

    2016-07-12

    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. 3D Buckligami: Digital Matter

    NASA Astrophysics Data System (ADS)

    van Hecke, Martin; de Reus, Koen; Florijn, Bastiaan; Coulais, Corentin

    2014-03-01

    We present a class of elastic structures which exhibit collective buckling in 3D, and create these by a 3D printing/moulding technique. Our structures consist of cubic lattice of anisotropic unit cells, and we show that their mechanical properties are programmable via the orientation of these unit cells.

  7. 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.

  8. LLNL-Earth3D

    SciTech Connect

    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.

  9. 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.

  10. Thermodynamic and kinetic solid-liquid interface properties from transition path sampling

    NASA Astrophysics Data System (ADS)

    Şopu, Daniel; Rogal, Jutta; Drautz, Ralf

    2016-12-01

    We perform transition path sampling simulations to determine two of the key quantities in solidification, the solid-liquid interface energy and velocity, in a Lennard-Jones system. Our approach is applicable to a wide range of temperature and pressure conditions, at the melting temperature and out-of-equilibrium. We show that small system sizes are sufficient for good values of interface energies and velocities. The transition path sampling method thus offers an attractive and robust alternative for the evaluation of solid-liquid interface properties.

  11. Mechanism of phase transition, from vapor to solid: Transient liquid phase is between the two

    NASA Astrophysics Data System (ADS)

    Mahapatra, A. K.; Wang, Junyong; Zhang, Hongwei; Han, Min

    2016-08-01

    The mechanism of phase transition, from vapor to solid, is studied by producing non-stoichiometric ZnO and CdS nanoclusters (NCs) by low-energy cluster beam deposition technique, and examining their morphological and compositional evolution over a long span of time. It is concluded that the transition of vapor to solid goes through a transient liquid phase: coagulation of a large number of atomic clusters first forms liquid NCs which then solidify. The nature of the material and the experimental conditions determine crystallinity and shape of the NCs during the solidification process.

  12. Field-induced phase transitions in chiral smectic liquid crystals studied by the constant current method

    NASA Astrophysics Data System (ADS)

    H, Dhaouadi; R, Zgueb; O, Riahi; F, Trabelsi; T, Othman

    2016-05-01

    In ferroelectric liquid crystals, phase transitions can be induced by an electric field. The current constant method allows these transition to be quickly localized and thus the (E,T) phase diagram of the studied product can be obtained. In this work, we make a slight modification to the measurement principles based on this method. This modification allows the characteristic parameters of ferroelectric liquid crystal to be quantitatively measured. The use of a current square signal highlights a phenomenon of ferroelectric hysteresis with remnant polarization at null field, which points out an effect of memory in this compound.

  13. Effect of arm exchange on the liquid-solid transition of dense suspensions of star polymers.

    PubMed

    Puaud, Fanny; Nicolai, Taco; Benyahia, Lazhar; Nicol, Erwan

    2013-10-10

    Star polymers with dynamic arm exchange are formed in water by self-assembly of amphiphilic diblock copolymers based on poly(ethylene oxide) end capped with a small hydrophobic block. The arm exchange was arrested in situ by photo-cross-linking of the core. The effect of dynamic arm exchange on the osmotic compressibility and viscosity was investigated systematically as a function of the concentration and temperature. The discontinuous liquid-solid transition reported for dense polymeric micelle suspensions was found to be preserved after dynamic arm exchange was arrested in situ. The effect of cross-linking and aggregation number on the liquid-solid transition was investigated.

  14. Effect of electric field on reentrance transition in a binary mixture of liquid crystals

    NASA Astrophysics Data System (ADS)

    Kumari, Sunita; Singh, S.

    2015-12-01

    Employing a phenomenological mean field theory, we analyze the effect of an electric field on the N - SmA phase transition for pure liquid crystal and on the reentrant nematic phase in a binary mixture of liquid crystals exhibiting the phase sequence I - N - SmA - NR on cooling. The basic idea of the work is to explain the phase transition behavior of the system by assuming that certain Landau coefficients associated with the order parameters coupling terms of the free-energy density expansion are field dependent. These parameters play a crucial role and show a rapid variation at the SmA - NR transition as compared to the SmA - N transition.

  15. 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

  16. Anticonical anchoring and surface transitions in a nematic liquid crystal.

    PubMed

    Faget, L; Lamarque-Forget, S; Martinot-Lagarde, Ph; Auroy, P; Dozov, I

    2006-11-01

    Recent works reported planar and conical azimuthally degenerated nematic anchorings. Here we predict an additional "anticonical" degenerated anchoring. Its energy presents two minima, parallel and perpendicular to the substrate plane, separated by a conical energy barrier. We realize this bistable anchoring on a grafted polymer brush and we observe temperature-driven transitions between the conical, planar, and anticonical degenerated anchorings. Under electric field we break the anticonical anchoring and switch between its bistable states.

  17. Anticonical anchoring and surface transitions in a nematic liquid crystal

    NASA Astrophysics Data System (ADS)

    Faget, L.; Lamarque-Forget, S.; Martinot-Lagarde, Ph.; Auroy, P.; Dozov, I.

    2006-11-01

    Recent works reported planar and conical azimuthally degenerated nematic anchorings. Here we predict an additional “anticonical” degenerated anchoring. Its energy presents two minima, parallel and perpendicular to the substrate plane, separated by a conical energy barrier. We realize this bistable anchoring on a grafted polymer brush and we observe temperature-driven transitions between the conical, planar, and anticonical degenerated anchorings. Under electric field we break the anticonical anchoring and switch between its bistable states.

  18. Successive disorder to disorder phase transitions in ionic liquid [HMIM][BF4] under high pressure

    NASA Astrophysics Data System (ADS)

    Zhu, Xiang; Yuan, Chaosheng; Li, Haining; Zhu, Pinwen; Su, Lei; Yang, Kun; Wu, Jie; Yang, Guoqiang; Liu, Jing

    2016-02-01

    In situ high-pressure Raman spectroscopy and synchrotron X-ray diffraction have been employed to investigate the phase behavior of ionic liquid, 1-hexyl-3-methylimidazolium tetrafluoroborate ([HMIM][BF4]) under high pressure up to 20 GPa at room temperature. With increasing pressure, some characteristic bands of [HMIM][BF4] disappear, and some characteristic bands of [HMIM][BF4] display non-monotonic pressure-induced frequency shift and non-monotonic variation of full width at half-maximum. Two successive phase transitions at ˜1.7 GPa and 7.3 GPa have been corroborated by the results above. The glass transition pressure (Pg) of [HMIM][BF4] at ˜7.3 GPa has been obtained by ruby R1 line broadening measurements and analysis of synchrotron X-ray diffraction patterns, and its glass transition mechanism is also analyzed in detail. These facts are suggestive of two successive disorder to disorder phase transitions induced by compression, that is, [HMIM][BF4] serves as a superpressurized glass under the pressure above 7.3 GPa, which is similar to the glassy state at low temperature, and a compression-induced liquid to liquid phase transition in [HMIM][BF4] occurs at ˜1.7 GPa. Besides, the conformational equilibrium of the GAAA conformer and AAAA conformer was converted easily in liquid [HMIM][BF4], while it was difficult to be influenced in glassy state.

  19. 3D vision system assessment

    NASA Astrophysics Data System (ADS)

    Pezzaniti, J. Larry; Edmondson, Richard; Vaden, Justin; Hyatt, Bryan; Chenault, David B.; Kingston, David; Geulen, Vanilynmae; Newell, Scott; Pettijohn, Brad

    2009-02-01

    In this paper, we report on the development of a 3D vision system consisting of a flat panel stereoscopic display and auto-converging stereo camera and an assessment of the system's use for robotic driving, manipulation, and surveillance operations. The 3D vision system was integrated onto a Talon Robot and Operator Control Unit (OCU) such that direct comparisons of the performance of a number of test subjects using 2D and 3D vision systems were possible. A number of representative scenarios were developed to determine which tasks benefited most from the added depth perception and to understand when the 3D vision system hindered understanding of the scene. Two tests were conducted at Fort Leonard Wood, MO with noncommissioned officers ranked Staff Sergeant and Sergeant First Class. The scenarios; the test planning, approach and protocols; the data analysis; and the resulting performance assessment of the 3D vision system are reported.

  20. 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.

  1. 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.

  2. Pressure Effect on the Boson Peak in Deeply Cooled Confined Water: Evidence of a Liquid-Liquid Transition

    DOE PAGES

    Wang, Zhe; Kolesnikov, Alexander I.; Ito, Kanae; ...

    2015-12-03

    We studied the boson peak in deeply cooled water confined in nanopores in order to examine the liquid-liquid transition (LLT). Below ~180 K, the boson peaks at pressures P higher than ~3.5 kbar are evidently distinct from those at low pressures by higher mean frequencies and lower heights. Moreover, the higher-P boson peaks can be rescaled to a master curve while the lower-P boson peaks can be rescaled to a different one. Moreover, these phenomena agree with the existence of two liquid phases with different densities and local structures and the associated LLT in the measured (P, T) region. Additionally,more » the P dependence of the librational band also agrees with the above conclusion.« less

  3. Pressure Effect on the Boson Peak in Deeply Cooled Confined Water: Evidence of a Liquid-Liquid Transition

    SciTech Connect

    Wang, Zhe; Kolesnikov, Alexander I.; Ito, Kanae; Podlesnyak, Andrey; Chen, Sow-Hsin

    2015-12-03

    We studied the boson peak in deeply cooled water confined in nanopores in order to examine the liquid-liquid transition (LLT). Below ~180 K, the boson peaks at pressures P higher than ~3.5 kbar are evidently distinct from those at low pressures by higher mean frequencies and lower heights. Moreover, the higher-P boson peaks can be rescaled to a master curve while the lower-P boson peaks can be rescaled to a different one. Moreover, these phenomena agree with the existence of two liquid phases with different densities and local structures and the associated LLT in the measured (P, T) region. Additionally, the P dependence of the librational band also agrees with the above conclusion.

  4. 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

  5. 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

  6. Density Affects the Nature of the Hexatic-Liquid Transition in Two-Dimensional Melting of Soft-Core Systems

    NASA Astrophysics Data System (ADS)

    Zu, Mengjie; Liu, Jun; Tong, Hua; Xu, Ning

    2016-08-01

    We find that both continuous and discontinuous hexatic-liquid transitions can happen in the melting of two-dimensional solids of soft-core disks. For three typical model systems, Hertzian, harmonic, and Gaussian-core models, we observe the same scenarios. These systems exhibit reentrant crystallization (melting) with a maximum melting temperature Tm happening at a crossover density ρm. The hexatic-liquid transition at a density smaller than ρm is discontinuous. Liquid and hexatic phases coexist in a density interval, which becomes narrower with increasing temperature and tends to vanish approximately at Tm. Above ρm, the transition is continuous, in agreement with the Kosterlitz-Thouless-Halperin-Nelson-Young theory. For these soft-core systems, the nature of the hexatic-liquid transition depends on density (pressure), with the melting at ρm being a plausible transition point from discontinuous to continuous hexatic-liquid transition.

  7. Acoustic and thermal anomalies in a liquid-glass transition of racemic S(+)-R(-) ketoprofen

    NASA Astrophysics Data System (ADS)

    Shibata, Tomohiko; Takayama, Haruki; Kim, Tae Hyun; Kojima, Seiji

    2014-01-01

    Acoustic and thermal properties of pharmaceutical racemic S(+)-R(-) ketoprofen were investigated in wide temperature range including glassy, supercooled liquid and liquid states by Brillouin scattering and temperature modulated DSC. Sound velocity and acoustic attenuation exhibited clear changes at 265 K indicating a liquid-glass transition and showed the typical structural relaxation above Tg. The high value of the fragility index m = 71 was determined by the dispersion of the complex heat capacity. New relaxation map was suggested in combination with previous study of dielectric measurement.

  8. Molecular-Scale Remnants of the Liquid-Gas Transition in Supercritical Polar Fluids

    NASA Astrophysics Data System (ADS)

    Sokhan, V. P.; Jones, A.; Cipcigan, F. S.; Crain, J.; Martyna, G. J.

    2015-09-01

    An electronically coarse-grained model for water reveals a persistent vestige of the liquid-gas transition deep into the supercritical region. A crossover in the density dependence of the molecular dipole arises from the onset of nonpercolating hydrogen bonds. The crossover points coincide with the Widom line in the scaling region but extend farther, tracking the heat capacity maxima, offering evidence for liquidlike and gaslike state points in a "one-phase" fluid. The effect is present even in dipole-limit models, suggesting that it is common for all molecular liquids exhibiting dipole enhancement in the liquid phase.

  9. Partitioning of transition metals between diopside and coexisting silicate liquids. I - Nickel, cobalt, and manganese

    NASA Technical Reports Server (NTRS)

    Lindstrom, D. J.; Weill, D. F.

    1978-01-01

    Distribution coefficients have been found for the partitioning of Ni, Co, and Mn between calcium-rich clinopyroxenes and coexisting silicate liquids. Values are found for the 1110-1360 C temperature range. The breakdown of Henry's Law was not observed. The measured clinopyroxene/liquid distribution coefficients ranged from 1.5-14.0 for Ni, 0.5-2.0 for Co, and 0.3-1.2 for Mn. Analyses of pyroxenes grown from charges differing in the amounts of transition metals indicate that Ni and Co occupy the M1 site of diopside and that Mn occupies the M1 and M2 sites. Equilibrium constants were found in terms of the activities of the components in the liquid and solid phases. These activities are based on the mole fractions. An activity/concentration model was used for the liquid phase in order to explain the variations in the clinopyroxene/liquid coefficients due to bulk composition.

  10. Paraelectric-antiferroelectric phase transition in achiral liquid crystals

    NASA Astrophysics Data System (ADS)

    Pociecha, Damian; Gorecka, Ewa; Čepič, Mojca; Vaupotič, Nataša; Gomola, Kinga; Mieczkowski, Jozef

    2005-12-01

    Critical freezing of molecular rotation in an achiral smectic phase, which leads to polar ordering through the second order paraelectric-antiferroelectric (Sm-A→Sm-APA) phase transition is studied theoretically and experimentally. Strong softening of the polar mode in the Sm-A phase and highly intensive dielectric mode in the Sm-APA phase are observed due to weak antiferroelectric interactions in the system. In the Sm-APA phase the dielectric response behaves critically upon biasing by a dc electric field. Such a behavior is found general for the antiferroelectric smectic phase with significant quadrupolar interlayer coupling.

  11. Transition in fluctuation behaviour of normal liquids under high pressures

    NASA Astrophysics Data System (ADS)

    Postnikov, Eugene B.; Chorażewski, Mirosław

    2016-05-01

    We explore the behaviour of the inverse reduced density fluctuations and the isobaric expansion coefficient using α , ω-dibromoalkanes as an example. Two different states are revealed far from the critical point: the region of exponentially decaying fluctuations near the coexistence curve and the state with longer correlations under sufficiently high pressures. The crossing of the isotherms of the isobaric expansion coefficient occurs within the PVT range of the mentioned transition. We discuss the interplay of this crossing with the changes in molecular packing structure connected with the analysed function of the density, which represents inverse reduced volume fluctuations.

  12. 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.

  13. The New Realm of 3-D Vision

    NASA Technical Reports Server (NTRS)

    2002-01-01

    Dimension Technologies Inc., developed a line of 2-D/3-D Liquid Crystal Display (LCD) screens, including a 15-inch model priced at consumer levels. DTI's family of flat panel LCD displays, called the Virtual Window(TM), provide real-time 3-D images without the use of glasses, head trackers, helmets, or other viewing aids. Most of the company initial 3-D display research was funded through NASA's Small Business Innovation Research (SBIR) program. The images on DTI's displays appear to leap off the screen and hang in space. The display accepts input from computers or stereo video sources, and can be switched from 3-D to full-resolution 2-D viewing with the push of a button. The Virtual Window displays have applications in data visualization, medicine, architecture, business, real estate, entertainment, and other research, design, military, and consumer applications. Displays are currently used for computer games, protein analysis, and surgical imaging. The technology greatly benefits the medical field, as surgical simulators are helping to increase the skills of surgical residents. Virtual Window(TM) is a trademark of Dimension Technologies Inc.

  14. 3D Scan Systems Integration

    DTIC Science & Technology

    2007-11-02

    AGENCY USE ONLY (Leave Blank) 2. REPORT DATE 5 Feb 98 4. TITLE AND SUBTITLE 3D Scan Systems Integration REPORT TYPE AND DATES COVERED...2-89) Prescribed by ANSI Std. Z39-1 298-102 [ EDO QUALITY W3PECTEDI DLA-ARN Final Report for US Defense Logistics Agency on DDFG-T2/P3: 3D...SCAN SYSTEMS INTEGRATION Contract Number SPO100-95-D-1014 Contractor Ohio University Delivery Order # 0001 Delivery Order Title 3D Scan Systems

  15. Liquid-crystal-anchoring transitions at surfaces created by polymerization-induced phase separation

    NASA Astrophysics Data System (ADS)

    Amundson, Karl R.; Srinivasarao, Mohan

    1998-08-01

    A surface anchoring transition of a nematic at polymer surfaces created by polymerization-induced phase separation is presented. This transition is unusual in that it occurs far from bulk nematic phase transitions and it is tunable across nearly the entire nematic temperature range by modification of the polymer side group. Anchoring behavior is qualitatively understood by considerating enthalpic and entropic contributions to surface energy. Interesting behavior of some polymer-dispersed liquid-crystal films is explained, and observations provide a pathway to control properties.

  16. Influence of the coulomb interaction on the liquid-gas phase transition and nuclear multifragmentation.

    PubMed

    Gulminelli, F; Chomaz, Ph; Raduta, Al H; Raduta, Ad R

    2003-11-14

    The liquid-gas phase transition is analyzed from the topologic properties of the event distribution in the observables space. A multicanonical formalism allows one to directly relate the standard phase transition with neutral particles to the case where the nonsaturating Coulomb interaction is present, and to interpret the Coulomb effect as a deformation of the probability distributions and a rotation of the order parameter. This formalism is applied to a statistical multifragmentation model and consequences for the nuclear multifragmentation phase transitions are drawn.

  17. Transition from Orbital Liquid to Jahn-Teller Insulator in Orthorhombic Perovskites RTiO3

    NASA Astrophysics Data System (ADS)

    Cheng, J.-G.; Sui, Y.; Zhou, J.-S.; Goodenough, J. B.; Su, W. H.

    2008-08-01

    Following the same strategy used for RVO3, thermal conductivity measurements have been made on a series of single-crystal perovskites RTiO3 (R=La,Nd,…,Yb). Results reveal explicitly a transition from an orbital liquid to an orbitally ordered phase at a magnetic transition temperature, which is common for both the antiferromagnetic and ferromagnetic phases in the phase diagram of RTiO3. This spin/orbital transition is consistent with the mode softening at TN in antiferromagnetic LaTiO3 and is supported by an anomalous critical behavior at Tc in ferromagnetic YTiO3.

  18. Theoretical Studies of Liquid He-4 Near the Superfluid Transition

    NASA Technical Reports Server (NTRS)

    Manousakis, Efstratios

    2002-01-01

    We performed theoretical studies of liquid helium by applying state of the art simulation and finite-size scaling techniques. We calculated universal scaling functions for the specific heat and superfluid density for various confining geometries relevant for experiments such as the confined helium experiment and other ground based studies. We also studied microscopically how the substrate imposes a boundary condition on the superfluid order parameter as the superfluid film grows layer by layer. Using path-integral Monte Carlo, a quantum Monte Carlo simulation method, we investigated the rich phase diagram of helium monolayer, bilayer and multilayer on a substrate such as graphite. We find excellent agreement with the experimental results using no free parameters. Finally, we carried out preliminary calculations of transport coefficients such as the thermal conductivity for bulk or confined helium systems and of their scaling properties. All our studies provide theoretical support for various experimental studies in microgravity.

  19. Axial-bundle phases--new modes of 2D, 3D, and helical columnar self-assembly in liquid crystalline phases of bolaamphiphiles with swallow tail lateral chains.

    PubMed

    Prehm, Marko; Liu, Feng; Zeng, Xiangbing; Ungar, Goran; Tschierske, Carsten

    2011-04-06

    Two series of polyphilic molecules composed of a rigid and linear p-terphenyl core, terminated at both ends with polar glycerol groups capable of hydrogen bonding, and two branched swallow tail-type lateral chains, composed of a fluorinated and a nonfluorinated branch or two fluorinated branches, were synthesized and investigated by differential scanning calorimetry, polarizing microscopy, and X-ray diffraction (XRD) with respect to their self-assembly in thermotropic liquid crystalline (LC) phases. Hexagonal columnar phases were formed by all molecules, at least at the highest temperature. In these phases the columns are composed of a core of aromatic rods and an aliphatic shell. The aromatic rods form bundles which are rotationally averaged and lie parallel to the column long axis. This unique organization is proven by different optical and XRD methods. The aromatic and glycerol groups inside the rod bundles are segregated into alternating segments. Depending on temperature and molecular structure, long-range intercolumnar correlation of this periodicity could take place, leading to a 3D-ordered LC phase with rhombohedral R ̄3m symmetry. The bundles are embedded in the matrix of the lateral chains, which is divided into fluoroalkyl- and aliphatic-rich regions. In the 2D columnar phase the fluorinated regions take the form of either straight columns running along the edges of the hexagonal Voronoi cells or, for compounds with a higher degree of fluorination, fuse to a hexagonal honeycomb enclosing the aromatic cores. In the R ̄3m phase the fluorine-rich chains are preferentially found along right- and left-handed helices wound around the 3(1) screw axes between the main aromatic columns.

  20. School Physical Education in the Transition from Solid Modernity to Liquid Modernity: The Brazilian Case

    ERIC Educational Resources Information Center

    Bracht, Valter; Gomes, Ivan Marcelo; de Almeida, Felipe Quintão

    2015-01-01

    This article discusses the implications of the contemporary transition from a solid modernity to a liquid modernity for school physical education, according to the metaphors adopted by the Polish sociologist and English resident Zygmunt Bauman. By leveraging Bauman's sociological theory, this article pursues two aims: (1) to examine how physical…

  1. Simulation of pressure-induced phase transition in liquid and amorphous Al2 O3

    NASA Astrophysics Data System (ADS)

    Hoang, Vo Van; Oh, Suhk Kun

    2005-08-01

    We investigated the pressure-induced structural transformation in liquid and amorphous Al2O3 by the molecular dynamics (MD) method. Simulations were done in the basic cube under periodic boundary conditions containing 3000 ions with Born-Mayer type pair potentials. The structure of the amorphous Al2O3 model with real density at ambient pressure is in good agreement with Lamparter’s experiment. In order to study the amorphous-amorphous phase transition, 23 models of amorphous alumina at the temperature of 350K and at densities ranging from 2.83to5.0gcm-3 had been built. The microstructure of the Al2O3 systems had been analyzed through pair radial distribution functions, coordination number distributions, interatomic distances, and bond-angle distributions. Here we found clear evidence of a structural transition in amorphous alumina from a tetrahedral to an octahedral network upon compression. According to our results, this transformation occurred at densities ranging from 3.6to4.05gcm-3 . We also presented the amorphous-amorphous phase transition from an octahedral to a tetrahedral network structure upon decompression at densities ranging from 5.00to2.83gcm-3 . Also, the same study was carried out for the liquid state of the system at the temperature of 3500K , and the liquid-liquid phase transition had been discussed.

  2. 3D polymer scaffold arrays.

    PubMed

    Simon, Carl G; Yang, Yanyin; Dorsey, Shauna M; Ramalingam, Murugan; Chatterjee, Kaushik

    2011-01-01

    We have developed a combinatorial platform for fabricating tissue scaffold arrays that can be used for screening cell-material interactions. Traditional research involves preparing samples one at a time for characterization and testing. Combinatorial and high-throughput (CHT) methods lower the cost of research by reducing the amount of time and material required for experiments by combining many samples into miniaturized specimens. In order to help accelerate biomaterials research, many new CHT methods have been developed for screening cell-material interactions where materials are presented to cells as a 2D film or surface. However, biomaterials are frequently used to fabricate 3D scaffolds, cells exist in vivo in a 3D environment and cells cultured in a 3D environment in vitro typically behave more physiologically than those cultured on a 2D surface. Thus, we have developed a platform for fabricating tissue scaffold libraries where biomaterials can be presented to cells in a 3D format.

  3. Autofocus for 3D imaging

    NASA Astrophysics Data System (ADS)

    Lee-Elkin, Forest

    2008-04-01

    Three dimensional (3D) autofocus remains a significant challenge for the development of practical 3D multipass radar imaging. The current 2D radar autofocus methods are not readily extendable across sensor passes. We propose a general framework that allows a class of data adaptive solutions for 3D auto-focus across passes with minimal constraints on the scene contents. The key enabling assumption is that portions of the scene are sparse in elevation which reduces the number of free variables and results in a system that is simultaneously solved for scatterer heights and autofocus parameters. The proposed method extends 2-pass interferometric synthetic aperture radar (IFSAR) methods to an arbitrary number of passes allowing the consideration of scattering from multiple height locations. A specific case from the proposed autofocus framework is solved and demonstrates autofocus and coherent multipass 3D estimation across the 8 passes of the "Gotcha Volumetric SAR Data Set" X-Band radar data.

  4. 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.

  5. Two-Dimensional Melting: From Liquid-Hexatic Coexistence to Continuous Transitions

    NASA Astrophysics Data System (ADS)

    Kapfer, Sebastian C.; Krauth, Werner

    2015-01-01

    The phase diagram of two-dimensional continuous particle systems is studied using the event-chain Monte Carlo algorithm. For soft disks with repulsive power-law interactions ∝r-n with n ≳6 , the recently established hard-disk melting scenario (n →∞ ) holds: a first-order liquid-hexatic and a continuous hexatic-solid transition are identified. Close to n =6 , the coexisting liquid exhibits very long orientational correlations, and positional correlations in the hexatic are extremely short. For n ≲6 , the liquid-hexatic transition is continuous, with correlations consistent with the Kosterlitz-Thouless-Halperin-Nelson-Young (KTHNY) scenario. To illustrate the generality of these results, we demonstrate that Yukawa particles likewise may follow either the KTHNY or the hard-disk melting scenario, depending on the Debye-Hückel screening length as well as on the temperature.

  6. Atomistic simulations of the solid-liquid transition of 1-ethyl-3-methyl imidazolium bromide ionic liquid

    NASA Astrophysics Data System (ADS)

    Feng, Haijun; Zhou, Jian; Qian, Yu

    2011-10-01

    Achieving melting point around room temperature is important for applications of ionic liquids. In this work, molecular dynamics simulations are carried out to investigate the solid-liquid transition of ionic liquid 1-ethyl-3-methyl imidazolium bromide ([emim]Br) by direct heating, hysteresis, void-nucleation, sandwich, and microcanonical ensemble approaches. Variations of the non-bonded energy, density, diffusion coefficient, and translational order parameter of [emim]Br are analyzed as a function of temperature, and a coexisting solid-liquid system is achieved in the microcanonical ensemble method. The melting points obtained from the first three methods are 547 ± 8 K, 429 ± 8 K, and 370 ± 6 K; while for the sandwich method, the melting points are 403 ± 4 K when merging along the x-axis by anisotropic isothermal-isobaric (NPT) ensemble, 393 ± 4 K when along the y-axis by anisotropic NPT ensemble, and 375 ± 4 K when along the y-axis by isotropic NPT ensemble. For microcanonical ensemble method, when the slabs are merging along different directions (x-axis, y-axis, and z-axis), the melting points are 364 ± 3 K, 365 ± 3 K, and 367 ± 3 K, respectively, the melting points we get by different methods are approximately 55.4%, 21.9%, 5.1%, 14.5%, 11.6%, 6.5%, 3.4%, 3.7%, and 4.3% higher than the experimental value of 352 K. The advantages and disadvantages of each method are discussed. The void-nucleation and microcanonical ensemble methods are most favorable for predicting the solid-liquid transition.

  7. The Galicia 3D experiment: an Introduction.

    NASA Astrophysics Data System (ADS)

    Reston, Timothy; Martinez Loriente, Sara; Holroyd, Luke; Merry, Tobias; Sawyer, Dale; Morgan, Julia; Jordan, Brian; Tesi Sanjurjo, Mari; Alexanian, Ara; Shillington, Donna; Gibson, James; Minshull, Tim; Karplus, Marianne; Bayracki, Gaye; Davy, Richard; Klaeschen, Dirk; Papenberg, Cord; Ranero, Cesar; Perez-Gussinye, Marta; Martinez, Miguel

    2014-05-01

    In June and July 2013, scientists from 8 institutions took part in the Galicia 3D seismic experiment, the first ever crustal -scale academic 3D MCS survey over a rifted margin. The aim was to determine the 3D structure of a critical portion of the west Galicia rifted margin. At this margin, well-defined tilted fault blocks, bound by west-dipping faults and capped by synrift sediments are underlain by a bright reflection, undulating on time sections, termed the S reflector and thought to represent a major detachment fault of some kind. Moving west, the crust thins to zero thickness and mantle is unroofed, as evidence by the "Peridotite Ridge" first reported at this margin, but since observed at many other magma-poor margins. By imaging such a margin in detail, the experiment aimed to resolve the processes controlling crustal thinning and mantle unroofing at a type example magma poor margin. The experiment set out to collect several key datasets: a 3D seismic reflection volume measuring ~20x64km and extending down to ~14s TWT, a 3D ocean bottom seismometer dataset suitable for full wavefield inversion (the recording of the complete 3D seismic shots by 70 ocean bottom instruments), the "mirror imaging" of the crust using the same grid of OBS, a single 2D combined reflection/refraction profile extending to the west to determine the transition from unroofed mantle to true oceanic crust, and the seismic imaging of the water column, calibrated by regular deployment of XBTs to measure the temperature structure of the water column. We collected 1280 km2 of seismic reflection data, consisting of 136533 shots recorded on 1920 channels, producing 260 million seismic traces, each ~ 14s long. This adds up to ~ 8 terabytes of data, representing, we believe, the largest ever academic 3D MCS survey in terms of both the area covered and the volume of data. The OBS deployment was the largest ever within an academic 3D survey.

  8. Disappearance of Widom Line for Liquid-Liquid Phase Transition with Horizontal Coexistence Line

    NASA Astrophysics Data System (ADS)

    Luo, Jiayuan; Xu, Limei; Buldyrev, Sergey; Angell, Austen; Stanley, Gene

    2012-02-01

    The study of spherically symmetric two-scale Jagla model with both repulsive and attractive ramps has been very successful in demonstrating the anomalous behavior of liquids (especially water) and its relation with respect to the existence of a liquid-liquid (LL) critical point. However, the co-existence line of Jagla model shows a positive slope, which is opposite to what has been found in the simulations of water. To more convincingly link the result of the study on Jagla model with that of water, we applied discrete molecular dynamics to Gibson and Wilding's modified Jagla model and found that by shrinking both the attractive and repulsive ramps, the slope of the coexistence line can be reduced to zero. However, at these values of the parameters, the LL critical point becomes completely unstable with respect to crystal and glass. We further studied the Widom line, defined as extreme of response functions and also continuation of the coexistence line into one phase region, and found Widom line disappeared in the case of zero slope of the coexistence line, due to the equal enthalpy of low-density liquid (LDL) and high-density liquid (HDL).

  9. Finite-time thermodynamics and the gas-liquid phase transition

    NASA Astrophysics Data System (ADS)

    Santoro, M.; Schön, J. C.; Jansen, M.

    2007-12-01

    In this paper, we study the application of the concept of finite-time thermodynamics to first-order phase transitions. As an example, we investigate the transition from the gaseous to the liquid state by modeling the liquification of the gas in a finite time. In particular, we introduce, state, and solve an optimal control problem in which we aim at achieving the gas-liquid first-order phase transition through supersaturation within a fixed time in an optimal fashion, in the sense that the work required to supersaturate the gas, called excess work, is minimized by controlling the appropriate thermodynamic parameters. The resulting set of coupled nonlinear differential equations is then solved for three systems, nitrogen N2 , oxygen O2 , and water vapor H2O .

  10. 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.

  11. 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.

  12. Vibration-transit theory of self-dynamic response in a monatomic liquid

    NASA Astrophysics Data System (ADS)

    de Lorenzi-Venneri, Giulia; Chisolm, Eric D.; Wallace, Duane C.

    2008-10-01

    A theoretical model for self-dynamic response is developed using vibration-transit theory, and is applied to liquid sodium at all wave vectors q from the hydrodynamic regime to the free particle limit. In this theory the zeroth-order Hamiltonian describes the vibrational motion in a single random valley harmonically extended to infinity. This Hamiltonian is tractable, is evaluated a priori for monatomic liquids, and the same Hamiltonian (the same set of eigenvalues and eigenvectors) is used for equilibrium and nonequilibrium theory. Here, for the self-intermediate scattering function Fs(q,t) , we find the vibrational contribution is in near perfect agreement with molecular dynamics (MD) through short and intermediate times, at all q . This is direct confirmation that normal mode vibrational correlations are present in the motion of the liquid state. The primary transit effect is the diffusive motion of the vibrational equilibrium positions, as the liquid transits rapidly among random valleys. This motion is modeled as a standard random walk, and the resulting theoretical Fs(q,t) is in excellent agreement with MD results at all q and t . In the limit q→∞ , the theory automatically exhibits the correct approach to the free-particle limit. Also, in the limit q→0 , the hydrodynamic limit emerges as well. In contrast to the benchmark theories of generalized hydrodynamics and mode coupling, the present theory is near a priori, while achieving modestly better accuracy. Therefore, in our view, it constitutes an improvement over the traditional theories.

  13. Behavior of supercooled aqueous solutions stemming from hidden liquid–liquid transition in water

    SciTech Connect

    Biddle, John W.; Holten, Vincent; Anisimov, Mikhail A.

    2014-08-21

    A popular hypothesis that explains the anomalies of supercooled water is the existence of a metastable liquid–liquid transition hidden below the line of homogeneous nucleation. If this transition exists and if it is terminated by a critical point, the addition of a solute should generate a line of liquid–liquid critical points emanating from the critical point of pure metastable water. We have analyzed thermodynamic consequences of this scenario. In particular, we consider the behavior of two systems, H{sub 2}O-NaCl and H{sub 2}O-glycerol. We find the behavior of the heat capacity in supercooled aqueous solutions of NaCl, as reported by Archer and Carter [J. Phys. Chem. B 104, 8563 (2000)], to be consistent with the presence of the metastable liquid–liquid transition. We elucidate the non-conserved nature of the order parameter (extent of “reaction” between two alternative structures of water) and the consequences of its coupling with conserved properties (density and concentration). We also show how the shape of the critical line in a solution controls the difference in concentration of the coexisting liquid phases.

  14. The EISCAT_3D Science Case

    NASA Astrophysics Data System (ADS)

    Tjulin, A.; Mann, I.; McCrea, I.; Aikio, A. T.

    2013-05-01

    EISCAT_3D will be a world-leading international research infrastructure using the incoherent scatter technique to study the atmosphere in the Fenno-Scandinavian Arctic and to investigate how the Earth's atmosphere is coupled to space. The EISCAT_3D phased-array multistatic radar system will be operated by EISCAT Scientific Association and thus be an integral part of an organisation that has successfully been running incoherent scatter radars for more than thirty years. The baseline design of the radar system contains a core site with transmitting and receiving capabilities located close to the intersection of the Swedish, Norwegian and Finnish borders and five receiving sites located within 50 to 250 km from the core. The EISCAT_3D project is currently in its Preparatory Phase and can smoothly transit into implementation in 2014, provided sufficient funding. Construction can start 2016 and first operations in 2018. The EISCAT_3D Science Case is prepared as part of the Preparatory Phase. It is regularly updated with annual new releases, and it aims at being a common document for the whole future EISCAT_3D user community. The areas covered by the Science Case are atmospheric physics and global change; space and plasma physics; solar system research; space weather and service applications; and radar techniques, new methods for coding and analysis. Two of the aims for EISCAT_3D are to understand the ways natural variability in the upper atmosphere, imposed by the Sun-Earth system, can influence the middle and lower atmosphere, and to improve the predictivity of atmospheric models by providing higher resolution observations to replace the current parametrised input. Observations by EISCAT_3D will also be used to monitor the direct effects from the Sun on the ionosphere-atmosphere system and those caused by solar wind magnetosphere-ionosphere interaction. In addition, EISCAT_3D will be used for remote sensing the large-scale behaviour of the magnetosphere from its

  15. A continuous Mott transition between a metal and a quantum spin liquid

    NASA Astrophysics Data System (ADS)

    Mishmash, Ryan V.; Gonzalez, Ivan; Melko, Roger G.; Motrunich, Olexei I.; Fisher, Matthew P. A.

    2015-03-01

    More than half a century after first being proposed by Sir Nevill Mott, the deceptively simple question of whether the interaction-driven electronic metal-insulator transition may be continuous remains enigmatic. Recent experiments on two-dimensional materials suggest that when the insulator is a quantum spin liquid, lack of magnetic long-range order on the insulating side may cause the transition to be continuous, or only very weakly first order. Motivated by this, we study a half-filled extended Hubbard model on a triangular lattice strip geometry. We argue, through use of large-scale numerical simulations and analytical bosonization, that this model harbors a continuous (Kosterlitz-Thouless-like) quantum phase transition between a metal and a gapless spin liquid characterized by a spinon Fermi sea, i.e., a ``spin Bose metal''. These results may provide a rare insight into the development of Mott criticality in strongly interacting two-dimensional materials and elucidate a mechanism by which spin-liquid phases are stabilized in the vicinity of such transitions.

  16. Intestinal transit of solid and liquid components of a meal in health

    SciTech Connect

    Malagelada, J.R.; Robertson, J.S.; Brown, M.L.; Remington, M.; Duenes, J.A.; Thomforde, G.M.; Carryer, P.W.

    1984-12-01

    The aim of this study was to test the hypothesis that, under physiologic conditions, the human small bowel discriminates between the solid and aqueous components of chyme, that is, that in a fashion analogous to the stomach, the intestine would allow the liquid fraction to progress at a faster rate than solid particles. To evaluate this hypothesis, the authors took advantage of a gamma-emitting solid marker, /sup 131/I-fiber, previously developed in their laboratory, that is recognized by the stomach as a solid and that is emptied at a slower rate than liquid markers. Thus, /sup 131/I-fiber enters the intestine during feeding at a slower rate than a liquid marker, being eventually excreted in the feces physically and chemically unchanged. We also developed a mathematical method was also developed to calculate the intestinal transit spectrum based on scintigraphic data obtained from 6 healthy individuals who ingested /sup 131/I-fiber and technetium /sup 99m/ (/sup 99m/Tc)-diethylenetriaminepentaacetic acid (DTPA)-water with a meal. The results disprove the hypothesis by showing that whereas /sup 131/I-fiber, as expected, leaves the stomach at a much slower rate than /sup 99m/Tc-DTPA-water, both markers progress along the small bowel separately but at similar speeds. This method for measuring intestinal transit provides a more comprehensive quantification of chyme transit in the human small bowel than earlier methods and should prove a useful technique for further noninvasive studies of transit after feeding.

  17. Stereodynamic control of star-epoxy/anhydride crosslinking actuated by liquid-crystalline phase transitions.

    PubMed

    Pin, Jean-Mathieu; Mija, Alice; Sbirrazzuoli, Nicolas

    2017-03-08

    The epoxy/anhydride copolymerization kinetics of an original star-epoxy monomer (TriaEP) was explored in dynamic heating mode using a series of isoconversional methods. Negative values of the apparent activation energy (Eα) related to an anti-Arrhenius behavior were observed. The transition from Arrhenius to anti-Arrhenius behavior and vice versa depending on the Eα of polymerization was correlated with the dynamics of mesophasic fall-in/fall-out events, physically induced transition (PIT) and chemically induced transition (CIT). This self-assembly phenomenon induces the generation of an anisotropic crosslinked architecture exhibiting both nematic discotic (ND) and nematic columnar (NC) organization. Particular emphasis was placed on evaluating the juxtaposition/contribution of the liquid-crystalline transitions to crosslinking, considering both the reaction dynamics and the macromolecular vision.

  18. Interfacial Phase Transitions at Solid-Fluid and Liquid-Vapor Interfaces

    NASA Astrophysics Data System (ADS)

    Cornelisse, P. M. W.; Peters, C. J.; de Swaan Arons, J.

    1998-11-01

    To study the interface between a solid surface and nitrogen vapor, the theory of Cahn was applied. The Peng-Robinson equation of state (PREOS) was incorporated in the theory of Cahn to model the thermodynamic functions of the fluid. In this study the wetting transition, as earlier reported by Cahn, was shown. In addition, wetting transitions occurring at a liquid-vapor interface of the three-phase LLV equilibrium of the binary mixtures hexane/water and benzene/water were examined. It was found that by making use of the gradient theory of van der Waals, in which the PREOS was incorporated, the transitions seem to be of third order. For the case where the PREOS was replaced by the Associated-Perturbed-Anisotropic-Chain-Theory, no wetting region was found. It was argued that, in principle, it should he possible to model first-order wetting transitions with the square gradient theory.

  19. Determining Transition State Geometries in Liquids Using 2D-IR

    SciTech Connect

    Harris, Charles; Cahoon, James F.; Sawyer, Karma R.; Schlegel, Jacob P.; Harris, Charles B.

    2007-12-11

    Many properties of chemical reactions are determined by the transition state connecting reactant and product, yet it is difficult to directly obtain any information about these short-lived structures in liquids. We show that two-dimensional infrared (2D-IR) spectroscopy can provide direct information about transition states by tracking the transformation of vibrational modes as a molecule crossed a transition state. We successfully monitored a simple chemical reaction, the fluxional rearrangement of Fe(CO)5, in which the exchange of axial and equatorial CO ligands causes an exchange of vibrational energy between the normal modes of the molecule. This energy transfer provides direct evidence regarding the time scale, transition state, and mechanism of the reaction.

  20. Macrophage podosomes go 3D.

    PubMed

    Van Goethem, Emeline; Guiet, Romain; Balor, Stéphanie; Charrière, Guillaume M; Poincloux, Renaud; Labrousse, Arnaud; Maridonneau-Parini, Isabelle; Le Cabec, Véronique

    2011-01-01

    Macrophage tissue infiltration is a critical step in the immune response against microorganisms and is also associated with disease progression in chronic inflammation and cancer. Macrophages are constitutively equipped with specialized structures called podosomes dedicated to extracellular matrix (ECM) degradation. We recently reported that these structures play a critical role in trans-matrix mesenchymal migration mode, a protease-dependent mechanism. Podosome molecular components and their ECM-degrading activity have been extensively studied in two dimensions (2D), but yet very little is known about their fate in three-dimensional (3D) environments. Therefore, localization of podosome markers and proteolytic activity were carefully examined in human macrophages performing mesenchymal migration. Using our gelled collagen I 3D matrix model to obligate human macrophages to perform mesenchymal migration, classical podosome markers including talin, paxillin, vinculin, gelsolin, cortactin were found to accumulate at the tip of F-actin-rich cell protrusions together with β1 integrin and CD44 but not β2 integrin. Macrophage proteolytic activity was observed at podosome-like protrusion sites using confocal fluorescence microscopy and electron microscopy. The formation of migration tunnels by macrophages inside the matrix was accomplished by degradation, engulfment and mechanic compaction of the matrix. In addition, videomicroscopy revealed that 3D F-actin-rich protrusions of migrating macrophages were as dynamic as their 2D counterparts. Overall, the specifications of 3D podosomes resembled those of 2D podosome rosettes rather than those of individual podosomes. This observation was further supported by the aspect of 3D podosomes in fibroblasts expressing Hck, a master regulator of podosome rosettes in macrophages. In conclusion, human macrophage podosomes go 3D and take the shape of spherical podosome rosettes when the cells perform mesenchymal migration. This work

  1. 3D Printed Bionic Nanodevices.

    PubMed

    Kong, Yong Lin; Gupta, Maneesh K; Johnson, Blake N; McAlpine, Michael C

    2016-06-01

    The ability to three-dimensionally interweave biological and functional materials could enable the creation of bionic devices possessing unique and compelling geometries, properties, and functionalities. Indeed, interfacing high performance active devices with biology could impact a variety of fields, including regenerative bioelectronic medicines, smart prosthetics, medical robotics, and human-machine interfaces. Biology, from the molecular scale of DNA and proteins, to the macroscopic scale of tissues and organs, is three-dimensional, often soft and stretchable, and temperature sensitive. This renders most biological platforms incompatible with the fabrication and materials processing methods that have been developed and optimized for functional electronics, which are typically planar, rigid and brittle. A number of strategies have been developed to overcome these dichotomies. One particularly novel approach is the use of extrusion-based multi-material 3D printing, which is an additive manufacturing technology that offers a freeform fabrication strategy. This approach addresses the dichotomies presented above by (1) using 3D printing and imaging for customized, hierarchical, and interwoven device architectures; (2) employing nanotechnology as an enabling route for introducing high performance materials, with the potential for exhibiting properties not found in the bulk; and (3) 3D printing a range of soft and nanoscale materials to enable the integration of a diverse palette of high quality functional nanomaterials with biology. Further, 3D printing is a multi-scale platform, allowing for the incorporation of functional nanoscale inks, the printing of microscale features, and ultimately the creation of macroscale devices. This blending of 3D printing, novel nanomaterial properties, and 'living' platforms may enable next-generation bionic systems. In this review, we highlight this synergistic integration of the unique properties of nanomaterials with the

  2. Hygroscopic influence on the semisolid-to-liquid transition of secondary organic materials.

    PubMed

    Bateman, Adam P; Bertram, Allan K; Martin, Scot T

    2015-05-14

    The effect of relative humidity (RH) on the rebound of particles composed of isoprene, α-pinene, and toluene secondary organic materials (SOMs) was studied. A three-arm impaction apparatus was used to study rebound from 5 to 95% RH at 298 K. Calibration experiments using sucrose particles of variable but known viscosities showed that the transition from rebounding to adhering particles occurred for a change in viscosity from 100 to 1 Pa s, corresponding to a transition from semisolid to liquid material. The experimentally determined rebound fractions of the studied SOMs were compared with results from a model of the rebound processes of hard particles, taking into account the particle kinetic energy, van der Waals forces, and RH-dependent capillary forces. For low RH values, the hard-particle model explained the diameter-dependent rebound behavior for all studied SOMs. For elevated RH, however, the experimental observations deviated from the model predictions. On the basis of the calibration experiments using sucrose particles as well as a comparison between the observations and the predictions of the hard-particle model, the interpretation is made that a semisolid-to-liquid transition occurred at elevated RH. Material softening, increased adhesion, or a combination of the two implied the action of additional modes of energy relaxation that were not included in the hard-particle model. The RH threshold for the semisolid-to-liquid phase transition was 40% RH for isoprene SOM, 70% for toluene SOM, and 70% for α-pinene SOM. A correlation between the rebound fraction and the hygroscopic growth factor G was demonstrated, implying that absorbed water volume was a dominant governing factor of the semisolid-to-liquid transition for the studied classes of SOM. Simple heuristic rules based on G of 1.15 for the semisolid-to-liquid phase transition could be used for prognostication of the SOM phase in modeling applications at 298 K. With respect to atmospheric processes, the

  3. Petal, terrain & airbags - 3D

    NASA Technical Reports Server (NTRS)

    1997-01-01

    Portions of the lander's deflated airbags and a petal are at the lower area of this image, taken in stereo by the Imager for Mars Pathfinder (IMP) on Sol 3. 3D glasses are necessary to identify surface detail. The metallic object at lower right is part of the lander's low-gain antenna. This image is part of a 3D 'monster

    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

  4. 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.

  5. Liquid-gas phase transitions in a multicomponent nuclear system with Coulomb and surface effects

    SciTech Connect

    Lee, S. J.; Mekjian, A. Z.

    2001-04-01

    The liquid-gas phase transition is studied in a multicomponent nuclear system using a local Skyrme interaction with Coulomb and surface effects. Some features are qualitatively the same as the results of Mu''ller and Serot where a relativistic mean field was used without Coulomb and surface effects. Surface tension brings the coexistence binodal surface to lower pressure. The Coulomb interaction makes the binodal surface smaller and causes another pair of binodal points at low pressure and large proton fraction with fewer protons in the liquid phase and more protons in the gas phase.

  6. Nonlinear absorption in ionic liquids with transition metallic atoms in the anion

    NASA Astrophysics Data System (ADS)

    Nóvoa-López, José A.; López Lago, Elena; Seijas, Julio A.; Pilar Vázquez-Tato, M.; Troncoso, Jacobo; de la Fuente, Raúl; Salgueiro, José R.; Michinel, Humberto

    2016-02-01

    Nonlinear absorption has been investigated by open aperture Z-scan in ionic liquids obtained by combination of 1-butyl-3-methyl-imidazolium cations with anions containing a transition metal (Co, Zn, Cu or Ni) and thiocyanate groups. The laser source was a Ti:Sapphire oscillator (80-fs pulses, λ = 810 nm, repetition rate of 80.75 MHz). All liquids present quite low heat capacities that favor the development of strong thermal effects. Thermal effects and nonlinear absorption make them potential materials for optical limiting purposes.

  7. Unraveling wetting transition through surface textures with X-rays: liquid meniscus penetration phenomena.

    PubMed

    Antonini, C; Lee, J B; Maitra, T; Irvine, S; Derome, D; Tiwari, Manish K; Carmeliet, J; Poulikakos, D

    2014-02-11

    In this report we show that synchrotron X-ray radiography is a powerful method to study liquid-air interface penetration through opaque microtextured surface roughness, leading to wetting transition. We investigate this wetting phenomenon in the context of sessile drop evaporation, and establish that liquid interface sinking into the surface texture is indeed dictated by the balance of capillary and Laplace pressures, where the intrinsically three-dimensional nature of the meniscus must be accounted for. Air bubble entrapment in the texture underneath impacting water drops is also visualized and the mechanisms of post-impact drop evaporation are discussed.

  8. Unraveling wetting transition through surface textures with X-rays: Liquid meniscus penetration phenomena

    PubMed Central

    Antonini, C.; Lee, J. B.; Maitra, T.; Irvine, S.; Derome, D.; Tiwari, Manish K.; Carmeliet, J.; Poulikakos, D.

    2014-01-01

    In this report we show that synchrotron X-ray radiography is a powerful method to study liquid-air interface penetration through opaque microtextured surface roughness, leading to wetting transition. We investigate this wetting phenomenon in the context of sessile drop evaporation, and establish that liquid interface sinking into the surface texture is indeed dictated by the balance of capillary and Laplace pressures, where the intrinsically three-dimensional nature of the meniscus must be accounted for. Air bubble entrapment in the texture underneath impacting water drops is also visualized and the mechanisms of post-impact drop evaporation are discussed. PMID:24514762

  9. Investigating the solid-liquid phase transition of water nanofilms using the generalized replica exchange method

    NASA Astrophysics Data System (ADS)

    Lu, Qing; Kim, Jaegil; Farrell, James D.; Wales, David J.; Straub, John E.

    2014-11-01

    The generalized Replica Exchange Method (gREM) was applied to study a solid-liquid phase transition in a nanoconfined bilayer water system using the monatomic water (mW) model. Exploiting optimally designed non-Boltzmann sampling weights with replica exchanges, gREM enables an effective sampling of configurations that are metastable or unstable in the canonical ensemble via successive unimodal energy distributions across phase transition regions, often characterized by S-loop or backbending in the statistical temperature. Extensive gREM simulations combined with Statistical Temperature Weighted Histogram Analysis Method (ST-WHAM) for nanoconfined mW water at various densities provide a comprehensive characterization of diverse thermodynamic and structural properties intrinsic to phase transitions. Graph representation of minimized structures of bilayer water systems determined by the basin-hopping global optimization revealed heterogeneous ice structures composed of pentagons, hexagons, and heptagons, consistent with an increasingly ordered solid phase with decreasing density. Apparent crossover from a first-order solid-liquid transition to a continuous one in nanoconfined mW water with increasing density of the system was observed in terms of a diminishing S-loop in the statistical temperature, smooth variation of internal energies and heat capacities, and a characteristic variation of lateral radial distribution functions, and transverse density profiles across transition regions.

  10. Investigating the solid-liquid phase transition of water nanofilms using the generalized replica exchange method

    SciTech Connect

    Lu, Qing; Kim, Jaegil; Straub, John E.; Farrell, James D.; Wales, David J.

    2014-11-14

    The generalized Replica Exchange Method (gREM) was applied to study a solid-liquid phase transition in a nanoconfined bilayer water system using the monatomic water (mW) model. Exploiting optimally designed non-Boltzmann sampling weights with replica exchanges, gREM enables an effective sampling of configurations that are metastable or unstable in the canonical ensemble via successive unimodal energy distributions across phase transition regions, often characterized by S-loop or backbending in the statistical temperature. Extensive gREM simulations combined with Statistical Temperature Weighted Histogram Analysis Method (ST-WHAM) for nanoconfined mW water at various densities provide a comprehensive characterization of diverse thermodynamic and structural properties intrinsic to phase transitions. Graph representation of minimized structures of bilayer water systems determined by the basin-hopping global optimization revealed heterogeneous ice structures composed of pentagons, hexagons, and heptagons, consistent with an increasingly ordered solid phase with decreasing density. Apparent crossover from a first-order solid-liquid transition to a continuous one in nanoconfined mW water with increasing density of the system was observed in terms of a diminishing S-loop in the statistical temperature, smooth variation of internal energies and heat capacities, and a characteristic variation of lateral radial distribution functions, and transverse density profiles across transition regions.

  11. Complex light in 3D printing

    NASA Astrophysics Data System (ADS)

    Moser, Christophe; Delrot, Paul; Loterie, Damien; Morales Delgado, Edgar; Modestino, Miguel; Psaltis, Demetri

    2016-03-01

    3D printing as a tool to generate complicated shapes from CAD files, on demand, with different materials from plastics to metals, is shortening product development cycles, enabling new design possibilities and can provide a mean to manufacture small volumes cost effectively. There are many technologies for 3D printing and the majority uses light in the process. In one process (Multi-jet modeling, polyjet, printoptical©), a printhead prints layers of ultra-violet curable liquid plastic. Here, each nozzle deposits the material, which is then flooded by a UV curing lamp to harden it. In another process (Stereolithography), a focused UV laser beam provides both the spatial localization and the photo-hardening of the resin. Similarly, laser sintering works with metal powders by locally melting the material point by point and layer by layer. When the laser delivers ultra-fast focused pulses, nonlinear effects polymerize the material with high spatial resolution. In these processes, light is either focused in one spot and the part is made by scanning it or the light is expanded and covers a wide area for photopolymerization. Hence a fairly "simple" light field is used in both cases. Here, we give examples of how "complex light" brings additional level of complexity in 3D printing.

  12. The World of 3-D.

    ERIC Educational Resources Information Center

    Mayshark, Robin K.

    1991-01-01

    Students explore three-dimensional properties by creating red and green wall decorations related to Christmas. Students examine why images seem to vibrate when red and green pieces are small and close together. Instructions to conduct the activity and construct 3-D glasses are given. (MDH)

  13. 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…

  14. 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.

  15. 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…

  16. Liquid-Gel-Liquid Transition and Shear-Thickening in Mixed Suspensions of Silica Colloid and Hyperbranched Polyethyleneimine

    NASA Astrophysics Data System (ADS)

    Yuan, Guangcui; Zhang, Huan; Han, Charles C.

    2014-03-01

    The rheological property of mixed suspensions of silica colloid and hyperbranched polylethyleneimine was studied as functions of particle volume fraction, ratio of polymer to particle, and pH value. A mechanism of liquid-gel-liquid transition for this mixed system was proposed based on the amount and the conformation of polyelectrolyte bridges which were able to self-arrange with solution environments. The equilibrium adsorbed amount (Cp*) for a given volume fraction of particles is an important concentration ratio of polymer to particle denoting the transition of irreversible and reversible bridging. For mixed suspensions at equilibrium adsorbed state (Cp ~Cp *), the adsorption-desorption of polymer bridges on the particles can reversibly take place, and shear thickening is observed under a steady shear flow as a result of rapid extension of bridges when the relaxation time scale of extension is shorter than that of desorption. This work is supported by the National Basic Research Program of China (973 Program, 2012CB821503).

  17. Liquid-solid phase transition of hydrogen and deuterium in silica aerogel

    NASA Astrophysics Data System (ADS)

    Van Cleve, E.; Worsley, M. A.; Kucheyev, S. O.

    2014-10-01

    Behavior of hydrogen isotopes confined in disordered low-density nanoporous solids remains essentially unknown. Here, we use relaxation calorimetry to study freezing and melting of H2 and D2 in an ˜85%-porous base-catalyzed silica aerogel. We find that liquid-solid transition temperatures of both isotopes inside the aerogel are depressed. The phase transition takes place over a wide temperature range of ˜4 K and non-trivially depends on the liquid filling fraction, reflecting the broad pore size distribution in the aerogel. Undercooling is observed for both H2 and D2 confined inside the aerogel monolith. Results for H2 and D2 are extrapolated to tritium-containing hydrogens with the quantum law of corresponding states.

  18. Instability of nano- and microscale liquid metal filaments: Transition from single droplet collapse to multidroplet breakup

    SciTech Connect

    Hartnett, Chris A.; Mahady, Kyle; Fowlkes, Jason Davidson; Afkhami, Shahriar; Rack, P. D.; Kondic, L.

    2015-11-23

    We carry out experimental and numerical studies to investigate the collapse and breakup of finite size, nano- and microscale, liquid metal filaments supported on a substrate. We find the critical dimensions below which filaments do not break up but rather collapse to a single droplet. The transition from collapse to breakup can be described as a competition between two fluid dynamic phenomena: the capillary driven end retraction and the Rayleigh–Plateau type instability mechanism that drives the breakup. We focus on the unique spatial and temporal transition region between these two phenomena using patterned metallic thin film strips and pulsed-laser-induced dewetting. The experimental results are compared to an analytical model proposed by Driessen et al. and modified to include substrate interactions. Additionally, we report the results of numerical simulations based on a volume-of-fluid method to provide additional insight and highlight the importance of liquid metal resolidification, which reduces inertial effects.

  19. 3D Model of Surfactant Replacement Therapy

    NASA Astrophysics Data System (ADS)

    Grotberg, James; Tai, Cheng-Feng; Filoche, Marcel

    2015-11-01

    Surfactant Replacement Therapy (SRT) involves instillation of a liquid-surfactant mixture directly into the lung airway tree. Though successful in neonatal applications, its use in adults had early success followed by failure. We present the first mathematical model of 3D SRT where a liquid plug propagates through the tree from forced inspiration. In two separate modeling steps, the plug first deposits a coating film on the airway wall which subtracts from its volume, a ``coating cost''. Then the plug splits unevenly at the airway bifurcation due to gravity. The steps are repeated until a plug ruptures or reaches the tree endpoint alveoli/acinus. The model generates 3D images of the resulting acinar distribution and calculates two global indexes, efficiency and homogeneity. Simulating published literature, the earlier successful adult SRT studies show comparatively good index values, while the later failed studies do not. Those unsuccessful studies used smaller dose volumes with higher concentration mixtures, apparently assuming a well mixed compartment. The model shows that adult lungs are not well mixed in SRT due to the coating cost and gravity effects. Returning to the higher dose volume protocols could save many thousands of lives annually in the US. Supported by NIH Grants HL85156, HL84370 and Agence Nationale de la Recherche, ANR no. 2010-BLAN-1119-05.

  20. 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.

  1. Continuous Mott transition between a metal and a quantum spin liquid

    NASA Astrophysics Data System (ADS)

    Mishmash, Ryan V.; González, Iván; Melko, Roger G.; Motrunich, Olexei I.; Fisher, Matthew P. A.

    2015-06-01

    More than half a century after first being proposed by Sir Nevill Mott, the deceptively simple question of whether the interaction-driven electronic metal-insulator transition may be continuous remains enigmatic. Recent experiments on two-dimensional materials suggest that when the insulator is a quantum spin liquid, lack of magnetic long-range order on the insulating side may cause the transition to be continuous, or only very weakly first order. Motivated by this, we study a half-filled extended Hubbard model on a triangular lattice strip geometry. We argue, through use of large-scale numerical simulations and analytical bosonization, that this model harbors a continuous (Kosterlitz-Thouless-like) quantum phase transition between a metal and a gapless spin liquid characterized by a spinon Fermi surface, i.e., a "spinon metal." These results may provide a rare insight into the development of Mott criticality in strongly interacting two-dimensional materials and represent one of the first numerical demonstrations of a Mott insulating quantum spin liquid phase in a genuinely electronic microscopic model.

  2. Director-Configurational Transitions around Microbubbles of Hydrostatically Regulated Size in Liquid Crystals

    NASA Astrophysics Data System (ADS)

    Völtz, C.; Maeda, Y.; Tabe, Y.; Yokoyama, H.

    2006-12-01

    A high-pressure technique is introduced which allows a continuous variation of the inclusion size in liquid crystal colloids. We use a nematic liquid crystal host into which micrometer-sized gas bubbles are injected. By applying hydrostatic pressures, the diameter of these gas bubbles can be continuously decreased via compression and absorption of gas into the host liquid crystal, so that the director configurations around a single bubble can be investigated as a function of the bubble size. The theoretically predicted transition from a hyperbolic hedgehog to a Saturn-ring configuration, on reduction of the particle size below a certain threshold, is confirmed to occur at the radius of a few micrometers.

  3. Using Peltier cells to study solid liquid vapour transitions and supercooling

    NASA Astrophysics Data System (ADS)

    Torzo, Giacomo; Soletta, Isabella; Branca, Mario

    2007-05-01

    We propose an apparatus for teaching experimental thermodynamics in undergraduate introductory courses, using thermoelectric modules and a real-time data acquisition system. The device may be made at low cost, still providing an easy approach to the investigation of liquid solid and liquid vapour phase transitions and of metastable states (supercooling). The thermoelectric module (a technological evolution of the thermocouple) is by itself an interesting subject that offers a clear example of both thermo-electric (Seebeck effect) and electro-thermal (Peltier effect) energy transformation. We report here some cooling/heating measurements for several liquids and mixtures, including water, salt/water, ethanol/water and sodium acetate, showing how to evaluate the phenomena of freezing point depression and elevation, and how to evaluate the water latent heat.

  4. Phase Transitions of Triflate-Based Ionic Liquids under High Pressure.

    PubMed

    Faria, Luiz F O; Ribeiro, Mauro C C

    2015-11-05

    Raman spectroscopy has been used to study phase transitions of ionic liquids based on the triflate anion, [TfO](-), as a function of pressure or temperature. Raman spectra of ionic liquids containing the cations 1-butyl-3-methylimidazolium, [C4C1Im](+), 1-octyl-3-methylimidazolium, [C8C1Im](+), 1-butyl-2,3-dimethylimidazolium, [C4C1C1Im](+), and 1-butyl-1-methylpyrrolidinium, [C4C1Pyr](+), were compared. Vibrational frequencies and binding energy of ionic pairs were calculated by quantum chemistry methods. The ionic liquids [C4C1Im][TfO] and [C4C1Pyr][TfO] crystallize at 1.0 GPa when the pressure is increased in steps of ∼ 0.2 GPa from the atmospheric pressure, whereas [C8C1Im][TfO] and [C4C1C1Im][TfO] do not crystallize up to 2.3 GPa of applied pressure. The low-frequency range of the Raman spectrum of [C4C1Im][TfO] indicates that the system undergoes glass transition, rather than crystallization, when the pressure applied on the liquid has been increased above 2.0 GPa in a single step. Strong hysteresis of spectral features (frequency shift and bandwidth) of the high-pressure crystalline phase when the pressure was released stepwise back to the atmospheric pressure has been found .

  5. Quantum phase transition of electron-hole liquid in coupled quantum wells

    NASA Astrophysics Data System (ADS)

    Babichenko, V. S.; Polishchuk, I. Ya.

    2016-10-01

    Many-component electron-hole plasma is considered in the coupled quantum wells. The electrons are assumed to be localized in one quantum well (QW) while the holes are localized in the other QW. It is found that the homogeneous charge distribution within the QWs is unstable if the carrier density is sufficiently small. The instability results in the breakdown of the homogeneous charge distribution into two coexisting phases—a low-density phase and a high-density phase, which is electron-hole liquid. In turn, the homogeneous state of the electron-hole liquid is stable if the distance between the quantum wells ℓ is sufficiently small. However, as the distance ℓ increases and reaches a certain critical value ℓcr, the plasmon spectrum of the electron-hole liquid becomes unstable. Hereupon, a quantum phase transition occurs, resulting in the appearance of charge-density waves of finite amplitude in both quantum wells. Strong mass renormalization and the strong Z -factor renormalization are found for the electron-hole liquid as the quantum phase transition occurs.

  6. Direct measurement of the propagation of the phase-transition region of liquid crystals

    PubMed Central

    Sato, Takahiro; Katayama, Kenji

    2017-01-01

    Many types of active matter, such as biological cells, have liquid-crystalline membranes, which are soft and flexible in their interactions with their surroundings and sometimes allow molecular-structural or -orientational changes to extend for long distances, owing to long-range molecular interactions. Despite the technological and fundamental importance of these long-range changes, there is no good physical property with which to express them for the liquid crystal. Here, we show direct measurements of the propagation of structural or orientational changes due to long-range molecular interactions in liquid crystals. We induced a patterned phase transition in a liquid crystal via illumination with a fringe pattern and observed the propagation of the phase-transition region. We determined that the propagation occurred in a ballistic manner with a velocity of 80–110 m/s and that two types of propagation—side-by-side and head-to-tail molecular interactions—were found. PMID:28317939

  7. Two-phase region of vortex-solid melting: 3D XY theory

    NASA Astrophysics Data System (ADS)

    Friesen, M.; Muzikar, P.

    1998-07-01

    In clean enough samples of the high-Tc oxide materials, the phase transition into the superconducting state occurs along a first-order line in the H-T plane. This means that a two-phase region occurs in the B-T plane, in which the liquid and solid vortex phases coexist. We discuss the thermodynamics of this two-phase region, developing formulae relating experimental quantities of interest. We then apply the 3D XY scaling theory to the problem, obtaining detailed predictions for the boundaries of the coexistence region. By using published data, we are able to predict the width of the two-phase region, and determine the physical parameters involved in the 3D XY description.

  8. 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.

  9. 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.

  10. Comparing swimsuits in 3D.

    PubMed

    van Geer, Erik; Molenbroek, Johan; Schreven, Sander; deVoogd-Claessen, Lenneke; Toussaint, Huib

    2012-01-01

    In competitive swimming, suits have become more important. These suits influence friction, pressure and wave drag. Friction drag is related to the surface properties whereas both pressure and wave drag are greatly influenced by body shape. To find a relationship between the body shape and the drag, the anthropometry of several world class female swimmers wearing different suits was accurately defined using a 3D scanner and traditional measuring methods. The 3D scans delivered more detailed information about the body shape. On the same day the swimmers did performance tests in the water with the tested suits. Afterwards the result of the performance tests and the differences found in body shape was analyzed to determine the deformation caused by a swimsuit and its effect on the swimming performance. Although the amount of data is limited because of the few test subjects, there is an indication that the deformation of the body influences the swimming performance.

  11. 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.

  12. 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.

  13. [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.

  14. Synthetic 3D multicellular systems for drug development.

    PubMed

    Rimann, Markus; Graf-Hausner, Ursula

    2012-10-01

    Since the 1970s, the limitations of two dimensional (2D) cell culture and the relevance of appropriate three dimensional (3D) cell systems have become increasingly evident. Extensive effort has thus been made to move cells from a flat world to a 3D environment. While 3D cell culture technologies are meanwhile widely used in academia, 2D culture technologies are still entrenched in the (pharmaceutical) industry for most kind of cell-based efficacy and toxicology tests. However, 3D cell culture technologies will certainly become more applicable if biological relevance, reproducibility and high throughput can be assured at acceptable costs. Most recent innovations and developments clearly indicate that the transition from 2D to 3D cell culture for industrial purposes, for example, drug development is simply a question of time.

  15. GPU-Accelerated Denoising in 3D (GD3D)

    SciTech Connect

    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 the 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.

  16. Flow behaviour and transitions in surfactant-laden gas-liquid vertical flows

    NASA Astrophysics Data System (ADS)

    Zadrazil, Ivan; Chakraborty, Sourojeet; Matar, Omar; Markides, Christos

    2016-11-01

    The aim of this work is to elucidate the effect of surfactant additives on vertical gas-liquid counter-current pipe flows. Two experimental campaigns were undertaken, one with water and one with a light oil (Exxsol D80) as the liquid phase; in both cases air was used as the gaseous phase. Suitable surfactants were added to the liquid phase up to the critical micelle concentration (CMC); measurements in the absence of additives were also taken, for benchmarking. The experiments were performed in a 32-mm bore and 5-m long vertical pipe, over a range of superficial velocities (liquid: 1 to 7 m/s, gas: 1 to 44 m/s). High-speed axial- and side-view imaging was performed at different lengths along the pipe, together with pressure drop measurements. Flow regime maps were then obtained describing the observed flow behaviour and related phenomena, i.e., downwards/upwards annular flow, flooding, bridging, gas/liquid entrainment, oscillatory film flow, standing waves, climbing films, churn flow and dryout. Comparisons of the air-water and oil-water results will be presented and discussed, along with the role of the surfactants in affecting overall and detailed flow behaviour and transitions; in particular, a possible mechanism underlying the phenomenon of flooding will be presented. EPSRC UK Programme Grant EP/K003976/1.

  17. DYNAMIC MODELING STRATEGY FOR FLOW REGIME TRANSITION IN GAS-LIQUID TWO-PHASE FLOWS

    SciTech Connect

    X. Wang; X. Sun; H. Zhao

    2011-09-01

    In modeling gas-liquid two-phase flows, the concept of flow regime has been used to characterize the global interfacial structure of the flows. Nearly all constitutive relations that provide closures to the interfacial transfers in two-phase flow models, such as the two-fluid model, are often flow regime dependent. Currently, the determination of the flow regimes is primarily based on flow regime maps or transition criteria, which are developed for steady-state, fully-developed flows and widely applied in nuclear reactor system safety analysis codes, such as RELAP5. As two-phase flows are observed to be dynamic in nature (fully-developed two-phase flows generally do not exist in real applications), it is of importance to model the flow regime transition dynamically for more accurate predictions of two-phase flows. The present work aims to develop a dynamic modeling strategy for determining flow regimes in gas-liquid two-phase flows through the introduction of interfacial area transport equations (IATEs) within the framework of a two-fluid model. The IATE is a transport equation that models the interfacial area concentration by considering the creation and destruction of the interfacial area, such as the fluid particle (bubble or liquid droplet) disintegration, boiling and evaporation; and fluid particle coalescence and condensation, respectively. For the flow regimes beyond bubbly flows, a two-group IATE has been proposed, in which bubbles are divided into two groups based on their size and shape (which are correlated), namely small bubbles and large bubbles. A preliminary approach to dynamically identifying the flow regimes is provided, in which discriminators are based on the predicted information, such as the void fraction and interfacial area concentration of small bubble and large bubble groups. This method is expected to be applied to computer codes to improve their predictive capabilities of gas-liquid two-phase flows, in particular for the applications in

  18. 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

  19. Correlation functions in liquids and crystals: free-energy functional and liquid-to-crystal transition.

    PubMed

    Bharadwaj, Atul S; Singh, Swarn L; Singh, Yashwant

    2013-08-01

    A free-energy functional for a crystal that contains both the symmetry-conserved and symmetry-broken parts of the direct pair-correlation function has been used to investigate the crystallization of fluids in three dimensions. The symmetry-broken part of the direct pair-correlation function has been calculated using a series in ascending powers of the order parameters and which contains three- and higher-body direct correlation functions of the isotropic phase. It is shown that a very accurate description of freezing transitions for a wide class of potentials is found by considering the first two terms of this series. The results found for freezing parameters including the structure of the frozen phase for fluids interacting via the inverse power potential u(r)=ε(σ/r)(n) for n ranging from 4 to ∞ are in very good agreement with simulation results. It is found that for n>6.5 the fluid freezes into a face-centered cubic (fcc) structure while for n≤6 the body-centered cubic (bcc) structure is preferred. The fluid-bcc-fcc triple point is found to be at 1/n=0.158, which is in good agreement with simulation result.

  20. Separation of rare earths from transition metals by liquid-liquid extraction from a molten salt hydrate to an ionic liquid phase.

    PubMed

    Rout, Alok; Binnemans, Koen

    2014-02-28

    The solvent extraction of trivalent rare-earth ions and their separation from divalent transition metal ions using molten salt hydrates as the feed phase and an undiluted fluorine-free ionic liquid as the extracting phase were investigated in detail. The extractant was tricaprylmethylammonium nitrate, [A336][NO3], and the hydrated melt was calcium nitrate tetrahydrate, Ca(NO3)2·4H2O. The extraction behavior of rare-earth ions was studied for solutions of individual elements, as well as for mixtures of rare earths in the hydrated melt. The influence of different extraction parameters was investigated: the initial metal loading in the feed phase, percentage of water in the feed solution, equilibration time, and the type of hydrated melt. The extraction of rare earths from Ca(NO3)2·4H2O was compared with extraction from CaCl2·4H2O by [A336][Cl] (Aliquat 336). The nitrate system was found to be the better one. The extraction and separation of rare earths from the transition metals nickel, cobalt and zinc were also investigated. Remarkably high separation factors of rare-earth ions over transition metal ions were observed for extraction from Ca(NO3)2·4H2O by the [A336][NO3] extracting phase. Furthermore, rare-earth ions could be separated efficiently from transition metal ions, even in melts with very high concentrations of transition metal ions. Rare-earth oxides could be directly dissolved in the Ca(NO3)2·4H2O phase in the presence of small amounts of Al(NO3)3·9H2O or concentrated nitric acid. The efficiency of extraction after dissolving the rare-earth oxides in the hydrated nitrate melt was identical to extraction from solutions with rare-earth nitrates dissolved in the molten phase. The stripping of the rare-earth ions from the loaded ionic liquid phase and the reuse of the recycled ionic liquid were also investigated in detail.

  1. First-order transition in confined water between high-density liquid and low-density amorphous phases.

    PubMed

    Koga, K; Tanaka, H; Zeng, X C

    2000-11-30

    Supercooled water and amorphous ice have a rich metastable phase behaviour. In addition to transitions between high- and low-density amorphous solids, and between high- and low-density liquids, a fragile-to-strong liquid transition has recently been proposed, and supported by evidence from the behaviour of deeply supercooled bilayer water confined in hydrophilic slit pores. Here we report evidence from molecular dynamics simulations for another type of first-order phase transition--a liquid-to-bilayer amorphous transition--above the freezing temperature of bulk water at atmospheric pressure. This transition occurs only when water is confined in a hydrophobic slit pore with a width of less than one nanometre. On cooling, the confined water, which has an imperfect random hydrogen-bonded network, transforms into a bilayer amorphous phase with a perfect network (owing to the formation of various hydrogen-bonded polygons) but no long-range order. The transition shares some characteristics with those observed in tetrahedrally coordinated substances such as liquid silicon, liquid carbon and liquid phosphorus.

  2. Surface-induced liquid-gas transition in salt-free solutions of model charged colloids.

    PubMed

    Budkov, Yu A; Frolov, A I; Kiselev, M G; Brilliantov, N V

    2013-11-21

    We report a novel phenomenon of a surface-induced phase transition in salt-free solutions of charged colloids. We develop a theory of this effect and confirm it by Molecular Dynamics simulations. To describe the colloidal solution we apply a primitive model of electrolyte with a strong asymmetry of charge and size of the constituent particles - macroions and counterions. To quantify interactions of the colloidal particles with the neutral substrate we use a short-range potential which models dispersion van der Waals forces. These forces cause the attraction of colloids to the surface. We show that for high temperatures and weak attraction, only gradual increase of the macroion concentration in the near-surface layer is observed with increase of interaction strength. If however temperature drops below some threshold value, a new dense (liquid) phase is formed in the near-surface layer. It can be interpreted as a surface-induced first-order phase transition with a critical point. Using an appropriately adopted Maxwell construction, we find the binodal. Interestingly, the observed near-surface phase transition can occur at the absence of the bulk phase transition and may be seemingly classified as prewetting transition. The reported effect could be important for various technological applications where formation of colloidal particle layers with the desired properties is needed.

  3. Direct evidence of the molecular interaction propagation in the phase transition of liquid crystals

    NASA Astrophysics Data System (ADS)

    Katayama, Kenji; Sato, Takahiro; Kuwahara, Shota

    2016-09-01

    The molecular interaction sometimes propagates in a collective manner, reaching for a long distance on the order of millimeters. Such interactions have been well known in the field of strongly-correlated electron systems in a beautiful crystal interleaved by donor and acceptor layers, induced by photo-stimulus. The other examples can be found in liquid crystals (LCs), which could be found in many places in nature such as bio-membrane. Different from crystals, LCs features "softness", which enables it to be a curved structure such as a cell. In LCs, even a small molecular change would trigger the overall structural change by the propagation of the molecular interaction. Here we will show, for the first time, how long and how fast the molecular interaction propagates in LCs. The patterned phase transition was induced in a LC, causing the phase transition propagation in a controlled way and the propagation was measured with an time-resolved optical technique, called the transient grating. A LC sample doped with azobenzene was put into a thermally controlled LC cell. A grating pattern of a pulse light with 355 nm was impinged to the LC cell, and the light was absorbed by the dyes, releasing heat or photomechanical motion. We could observe the fringe spacing dependence on the phase transition response, which indicates that phase transition was delayed as the fringe spacing due to the delay by the phase transition propagation. This is the first direct evidence of the molecular interaction propagation of the LC molecules.

  4. Liquid crystalline phase transitions in virus and virus/polymer suspensions

    NASA Astrophysics Data System (ADS)

    Dogic, Zvonimir

    Using experimental, theoretical, and simulation methods, we investigate the relationship between the intermolecular interactions of rod-like colloids and the resulting liquid crystalline phase diagrams. As a model system of rod-like particles we use bacteriophage fd, which is a charge stabilized colloid. We are able to engineer complex attractive and repulsive intermolecular interactions by changing the ionic strengths of the suspensions, attaching covalently bound polymers and adding nonadsorbing polymers. Using standard molecular cloning techniques it is also shown that the aspect ratio of the rod-like particle can be manipulated. In the limit of high ionic strength the fd virus quantitatively agrees with the Onsager theory for the isotropic-nematic (I-N) phase transition in hard rods. The role of attractive interaction on the nature of the I-N phase transition is investigated. As the strength of the attraction is increased we observe isotropic-smectic (I-S) phase transitions. Using an optical microscope we follow the kinetics of the I-S phase transition and observe a wide range of novel structures of unexpected complexity. We also investigate the influence of adding hard spheres, or polymers on the nematic-smectic phase transition. We conclude that adding small spheres stabilizes the smectic phase and destabilizes the nematic phase.

  5. Roles of Energy Dissipation in a Liquid-Solid Transition of Out-of-Equilibrium Systems

    NASA Astrophysics Data System (ADS)

    Komatsu, Yuta; Tanaka, Hajime

    2015-07-01

    Self-organization of active matter as well as driven granular matter in nonequilibrium dynamical states has attracted considerable attention not only from the fundamental and application viewpoints but also as a model to understand the occurrence of such phenomena in nature. These systems share common features originating from their intrinsically out-of-equilibrium nature, and how energy dissipation affects the state selection in such nonequilibrium states remains elusive. As a simple model system, we consider a nonequilibrium stationary state maintained by continuous energy input, relevant to industrial processing of granular materials by vibration and/or flow. More specifically, we experimentally study roles of dissipation in self-organization of a driven granular particle monolayer. We find that the introduction of strong inelasticity entirely changes the nature of the liquid-solid transition from two-step (nearly) continuous transitions (liquid-hexatic-solid) to a strongly discontinuous first-order-like one (liquid-solid), where the two phases with different effective temperatures can coexist, unlike thermal systems, under a balance between energy input and dissipation. Our finding indicates a pivotal role of energy dissipation and suggests a novel principle in the self-organization of systems far from equilibrium. A similar principle may apply to active matter, which is another important class of out-of-equilibrium systems. On noting that interaction forces in active matter, and particularly in living systems, are often nonconservative and dissipative, our finding may also shed new light on the state selection in these systems.

  6. Pressure-induced solidifications of liquid sulfur below and above λ-transition

    NASA Astrophysics Data System (ADS)

    Fei, Tang; Lin-Ji, Zhang; Feng-Liang, Liu; Fei, Sun; Wen-Ge, Yang; Jun-Long, Wang; Xiu-Ru, Liu; Ru, Shen

    2016-04-01

    Two kinds of glassy sulfurs are synthesized by the rapid compression method from liquid sulfur at temperatures below and above the λ -transition point. The glassy sulfur has different colors and transparencies, depending on temperature, which may inherit some structural information from the λ -transition. Raman spectrum studies of these samples show that a large fraction of polymeric chains exist in the glassy sulfur, even in the one solidified from T < T λ . We find that a higher compression rate instead of a higher temperature of the parent liquid captures more polymeric chains. Pressure-induced glassy sulfur presents high thermal stability compared with temperature quenched glassy sulfur and could transform into liquid sulfur directly without crystallization through an abnormal exothermic melting course. High energy x-ray diffraction is utilized to study the local order of the pressure-induced glassy sulfur. Project supported by the Joint Funds of the National Natural Science Foundation of China (Grant No. U1530402), the National Natural Science Foundation of China (Grant No. 11004163), the Fundamental Research Funds for the Central Universities, China (Grant No. 2682014ZT31), the Department of Energy National Nuclear Security Administration (Grant No. DE-NA0001974), and the Department of Energy Basic Energy Sciences (Grant Nos. DE-FG02-99ER45775 and DE-AC02-06CH11357).

  7. Microenvironments created by liquid-liquid phase transition control the dynamic distribution of bacterial division FtsZ protein

    PubMed Central

    Monterroso, Begoña; Zorrilla, Silvia; Sobrinos-Sanguino, Marta; Keating, Christine D.; Rivas, Germán

    2016-01-01

    The influence of membrane-free microcompartments resulting from crowding-induced liquid/liquid phase separation (LLPS) on the dynamic spatial organization of FtsZ, the main component of the bacterial division machinery, has been studied using several LLPS systems. The GTP-dependent assembly cycle of FtsZ is thought to be crucial for the formation of the septal ring, which is highly regulated in time and space. We found that FtsZ accumulates in one of the phases and/or at the interface, depending on the system composition and on the oligomerization state of the protein. These results were observed both in bulk LLPS and in lipid-stabilized, phase-separated aqueous microdroplets. The visualization of the droplets revealed that both the location and structural arrangement of FtsZ filaments is determined by the nature of the LLPS. Relocation upon depolymerization of the dynamic filaments suggests the protein may shift among microenvironments in response to changes in its association state. The existence of these dynamic compartments driven by phase transitions can alter the local composition and reactivity of FtsZ during its life cycle acting as a nonspecific modulating factor of cell function. PMID:27725777

  8. 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.

  9. 3D Nanostructuring of Semiconductors

    NASA Astrophysics Data System (ADS)

    Blick, Robert

    2000-03-01

    Modern semiconductor technology allows to machine devices on the nanometer scale. I will discuss the current limits of the fabrication processes, which enable the definition of single electron transistors with dimensions down to 8 nm. In addition to the conventional 2D patterning and structuring of semiconductors, I will demonstrate how to apply 3D nanostructuring techniques to build freely suspended single-crystal beams with lateral dimension down to 20 nm. In transport measurements in the temperature range from 30 mK up to 100 K these nano-crystals are characterized regarding their electronic as well as their mechanical properties. Moreover, I will present possible applications of these devices.

  10. 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.

  11. 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.

  12. 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.

  13. 3D Printed Shelby Cobra

    SciTech Connect

    Love, Lonnie

    2015-01-09

    ORNL's newly printed 3D Shelby Cobra was showcased at the 2015 NAIAS in Detroit. This "laboratory on wheels" uses the Shelby Cobra design, celebrating the 50th anniversary of this model and honoring the first vehicle to be voted a national monument. The Shelby was printed at the Department of Energy’s Manufacturing Demonstration Facility at ORNL using the BAAM (Big Area Additive Manufacturing) machine and is intended as a “plug-n-play” laboratory on wheels. The Shelby will allow research and development of integrated components to be tested and enhanced in real time, improving the use of sustainable, digital manufacturing solutions in the automotive industry.

  14. Caloric curve for nuclear liquid-gas phase transition in relativistic mean-field hadronic model

    NASA Astrophysics Data System (ADS)

    Parvan, A. S.

    2012-08-01

    The main thermodynamical properties of the first order phase transition of the relativistic mean-field (RMF) hadronic model were explored in the isobaric, the canonical and the grand canonical ensembles on the basis of the method of the thermodynamical potentials and their first derivatives. It was proved that the first order phase transition of the RMF model is the liquid-gas type one associated with the Gibbs free energy G. The thermodynamical potential G is the piecewise smooth function and its first order partial derivatives with respect to variables of state are the piecewise continuous functions. We have found that the energy in the caloric curve is discontinuous in the isobaric and the grand canonical ensembles at fixed values of the pressure and the chemical potential, respectively, and it is continuous, i.e. it has no plateau, in the canonical and microcanonical ensembles at fixed values of baryon density, while the baryon density in the isotherms is discontinuous in the isobaric and the canonical ensembles at fixed values of the temperature. The general criterion for the nuclear liquid-gas phase transition in the canonical ensemble was identified.

  15. Pinning quantum phase transition for a Luttinger liquid of strongly interacting bosons.

    PubMed

    Haller, Elmar; Hart, Russell; Mark, Manfred J; Danzl, Johann G; Reichsöllner, Lukas; Gustavsson, Mattias; Dalmonte, Marcello; Pupillo, Guido; Nägerl, Hanns-Christoph

    2010-07-29

    Quantum many-body systems can have phase transitions even at zero temperature; fluctuations arising from Heisenberg's uncertainty principle, as opposed to thermal effects, drive the system from one phase to another. Typically, during the transition the relative strength of two competing terms in the system's Hamiltonian changes across a finite critical value. A well-known example is the Mott-Hubbard quantum phase transition from a superfluid to an insulating phase, which has been observed for weakly interacting bosonic atomic gases. However, for strongly interacting quantum systems confined to lower-dimensional geometry, a novel type of quantum phase transition may be induced and driven by an arbitrarily weak perturbation to the Hamiltonian. Here we observe such an effect--the sine-Gordon quantum phase transition from a superfluid Luttinger liquid to a Mott insulator--in a one-dimensional quantum gas of bosonic caesium atoms with tunable interactions. For sufficiently strong interactions, the transition is induced by adding an arbitrarily weak optical lattice commensurate with the atomic granularity, which leads to immediate pinning of the atoms. We map out the phase diagram and find that our measurements in the strongly interacting regime agree well with a quantum field description based on the exactly solvable sine-Gordon model. We trace the phase boundary all the way to the weakly interacting regime, where we find good agreement with the predictions of the one-dimensional Bose-Hubbard model. Our results open up the experimental study of quantum phase transitions, criticality and transport phenomena beyond Hubbard-type models in the context of ultracold gases.

  16. 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.

  17. Modelling flow pattern transitions for steady upward gas-liquid flow in vertical tubes. [Bubble, slug, churn and dispersed-annular; also existence regions and transitions

    SciTech Connect

    Taitel, Y.; Bornea, D.; Dukler, A.E.

    1980-05-01

    Models for predicting flow patterns in steady upward gas-liquid flow in vertical tubes (such as production-well tubing) delineate the transition boundaries between each of the four basic flow patterns for gas-liquid flow in vertical tubes: bubble, slug, churn, and dispersed-annular. Model results suggest that churn flow is the development region for the slug pattern and that bubble flow can exist in small pipes only at high liquid rates, where turbulent dispersion forces are high. Each transition depends on the flow-rate pair, fluid properties, and pipe size, but the nature of the dependence is different for each transition because of differing control mechanisms. The theoretical predictions are in reasonably good agreement with a variety of published flow maps based on experimental data.

  18. 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.

  19. 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

  20. Martian terrain & airbags - 3D

    NASA Technical Reports Server (NTRS)

    1997-01-01

    Portions of the lander's deflated airbags and a petal are at lower left in this image, taken in stereo by the Imager for Mars Pathfinder (IMP) on Sol 3. 3D glasses are necessary to identify surface detail. This image is part of a 3D 'monster' panorama of the area surrounding the landing site.

    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

  1. Martian terrain & airbags - 3D

    NASA Technical Reports Server (NTRS)

    1997-01-01

    Portions of the lander's deflated airbags and a petal are at the lower area of this image, taken in stereo by the Imager for Mars Pathfinder (IMP) on Sol 3. 3D glasses are necessary to identify surface detail. This image is part of a 3D 'monster' panorama of the area surrounding the landing site.

    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

  2. 3D structured illumination microscopy

    NASA Astrophysics Data System (ADS)

    Dougherty, William M.; Goodwin, Paul C.

    2011-03-01

    Three-dimensional structured illumination microscopy achieves double the lateral and axial resolution of wide-field microscopy, using conventional fluorescent dyes, proteins and sample preparation techniques. A three-dimensional interference-fringe pattern excites the fluorescence, filling in the "missing cone" of the wide field optical transfer function, thereby enabling axial (z) discrimination. The pattern acts as a spatial carrier frequency that mixes with the higher spatial frequency components of the image, which usually succumb to the diffraction limit. The fluorescence image encodes the high frequency content as a down-mixed, moiré-like pattern. A series of images is required, wherein the 3D pattern is shifted and rotated, providing down-mixed data for a system of linear equations. Super-resolution is obtained by solving these equations. The speed with which the image series can be obtained can be a problem for the microscopy of living cells. Challenges include pattern-switching speeds, optical efficiency, wavefront quality and fringe contrast, fringe pitch optimization, and polarization issues. We will review some recent developments in 3D-SIM hardware with the goal of super-resolved z-stacks of motile cells.

  3. Preparation and Thermodynamics of High Critical Transition Temperature Superconducting Films Growth by Liquid-Gas Process

    NASA Astrophysics Data System (ADS)

    Chou, Hsiung

    The in situ Tl-base superconducting films have been grown successfully on MgO and SrTiO_3 < 100> substrates by Liquid-Gas-Solidification (LGS) process. The loss of Tl during growth process can be nearly eliminated by a proper geometry design of the LGS set up. there is no post anneal for forming the right structure or compensation of Tl applied after the initial deposition. The Tl-base films grown on MgO < 100> exhibits an oriented structure with c-axis perpendicular to the surface of substrates. X-ray diffraction patterns reveal a coexistence of multi-phases in the films. The morphology of films shows flat and uniform domains of 0.5 times 1 mm^2. It exhibits a resistant transition onset of 117K and zero resistance at 103K. In the films grown on SrTiO _3 < 100> substrate, Ca-O precipitations on the edge of the film layer are observed. Upon a post anneal process, the Ca -O precipitates disappear resulted in an enhanced transport critical current density of 10^{-5 } A/cm^2. In forming the oxide film in LGS processing, oxygen is absorbed and diffuses into the liquid alloy reaching the liquid-substrate interface to form the oxide. The nucleation and growth of the films is a matter of the thermodynamic and the kinetic behavior of oxygen in the liquid precursor. A modified coulometric titration method is introduced to understand this behavior and to measure the activity, diffusivity and solubility of oxygen in the liquid high T_ {rm c} superconducting precursor alloys, rm Yb_1Ba_2Cu_3 , Ag-Yb_1Ba_2 Cu_3 and rm Tl_1Ba_2Ca_2Cu_3. In all alloy systems investigated, the formation energy of oxygen dissolved into the liquid alloys is relatively low ({~}{-}255 kJ/g-atom) which is attributed to the present of rare earth elements of Ba, Ca and Yb. The high affinity of oxygen with these elements results in a limited oxygen solubility (10^{-4} molar fraction), however, the diffusion coefficients of oxygen in the liquid alloys are high of the order of 10^{ -4} cm^2/sec. These

  4. Breaking Through the Glass Ceiling: Recent Experimental Approaches to Probe the Properties of Supercooled Liquids near the Glass Transition.

    SciTech Connect

    Smith, R. Scott; Kay, Bruce D.

    2012-03-15

    Experimental measurements of the properties supercooled liquids at temperatures near their respective glass transition temperatures, Tg, are requisite for understanding the behavior of glasses and amorphous solids. Unfortunately, many supercooled molecular liquids rapidly crystallize at temperatures far above their Tg making such measurements difficult to nearly impossible. In this perspective we discuss some recent alternative approaches to obtain experimental data in the temperature regime near Tg. These new approaches may yield the additional experimental data necessary to test current theoretical models of the dynamical slowdown that occurs in supercooled liquids approaching the glass transition.

  5. Interfacial Friction in Gas-Liquid Annular Flow: Analogies to Full and Transition Roughness

    SciTech Connect

    Bauer, R.C.; Beus, S.G.; Fore, L.B.

    1999-03-01

    New film thickness and pressure gradient data were obtained in a 5.08 by 101.6 mm duct for nitrogen and water in annular flow. Pressures of 3.4 and 17 atm and temperatures of 38 and 93 C were used to vary the gas density and liquid viscosity. These data are used to compute interfacial shear stresses and interfacial friction factors for comparison with several accepted literature correlations. These comparisons are reasonable for small values of the relative film thickness. However, the new data cover conditions not approached by the data used to construct those correlations. By combining the current data with the results of two other comprehensive modern experimental studies, a new correlation for the interfacial friction factor has been developed. This correlation adds elements of transition roughness to Wallis' fully-rough analogy to better predict interfacial friction factors over a wide range of gas Reynolds numbers and liquid film thicknesses.

  6. Method and apparatus for acoustic plate mode liquid-solid phase transition detection

    DOEpatents

    Blair, Dianna S.; Freye, Gregory C.; Hughes, Robert C.; Martin, Stephen J.; Ricco, Antonio J.

    1993-01-01

    A method and apparatus for sensing a liquid-solid phase transition event is provided which comprises an acoustic plate mode detecting element placed in contact with a liquid or solid material which generates a high-frequency acoustic wave that is attenuated to an extent based on the physical state of the material is contact with the detecting element. The attenuation caused by the material in contact with the acoustic plate mode detecting element is used to determine the physical state of the material being detected. The method and device are particularly suited for detecting conditions such as the icing and deicing of wings of an aircraft. In another aspect of the present invention, a method is provided wherein the adhesion of a solid material to the detecting element can be measured using the apparatus of the invention.

  7. Pattern phase transitions of self-propelled particles: gases, crystals, liquids, and mills

    NASA Astrophysics Data System (ADS)

    Cheng, Zhao; Chen, Zhiyong; Vicsek, Tamás; Chen, Duxin; Zhang, Hai-Tao

    2016-10-01

    To understand the collective behaviors of biological swarms, flocks, and colonies, we investigated the non-equilibrium dynamic patterns of self-propelled particle systems using statistical mechanics methods and H-stability analysis of Hamiltonian systems. By varying the individual vision range, we observed phase transitions between four phases, i.e., gas, crystal, liquid, and mill-liquid coexistence patterns. In addition, by varying the inter-particle force, we detected three distinct milling sub-phases, i.e., ring, annulus, and disk. Based on the coherent analysis for collective motions, one may predict the stability and adjust the morphology of the phases of self-propelled particles, which has promising potential applications in natural self-propelled particles and artificial multi-agent systems.

  8. New Density Functional Approach for Solid-Liquid-Vapor Transitions in Pure Materials

    NASA Astrophysics Data System (ADS)

    Kocher, Gabriel; Provatas, Nikolas

    2015-04-01

    A new phase field crystal (PFC) type theory is presented, which accounts for the full spectrum of solid-liquid-vapor phase transitions within the framework of a single density order parameter. Its equilibrium properties show the most quantitative features to date in PFC modeling of pure substances, and full consistency with thermodynamics in pressure-volume-temperature space is demonstrated. A method to control either the volume or the pressure of the system is also introduced. Nonequilibrium simulations show that 2- and 3-phase growth of solid, vapor, and liquid can be achieved, while our formalism also allows for a full range of pressure-induced transformations. This model opens up a new window for the study of pressure driven interactions of condensed phases with vapor, an experimentally relevant paradigm previously missing from phase field crystal theories.

  9. Method and apparatus for acoustic plate mode liquid-solid phase transition detection

    NASA Astrophysics Data System (ADS)

    Blair, D. S.; Frye, G. C.; Hughes, R. C.; Martin, S. J.; Ricco, A. J.

    1990-05-01

    A method and apparatus for sensing a liquid-solid phase transition event is provided which comprises an acoustic plate mode detecting element placed in contact with a liquid or solid material which generates a high-frequency acoustic wave that is attenuated to an extent based on the physical state of the material in contact with the detecting element. The attenuation caused by the material in contact with the acoustic plate mode detecting element is used to determine the physical state of the material being detected. The method and device are particularly suited for detecting conditions such as the icing and deicing of wings of an aircraft. In another aspect of the present invention, a method is provided wherein the adhesion of a solid material to the detecting element can be measured using the apparatus of the invention.

  10. Impact of Liquid-Vapor to Liquid-Liquid-Vapor Phase Transitions on Asphaltene-Rich Nanoaggregate Behavior in Athabasca Vacuum Residue + Pentane Mixtures

    SciTech Connect

    Long, Bingwen; Chodakowski, Martin; Shaw, John M.

    2013-06-05

    The bulk phase behavior of heavy oil + alkane mixtures and the behavior of the asphaltenes that they contain are topics of importance for the design and optimization of processes for petroleum production, transport, and refining and for performing routine saturates, aromatics, resins, and asphaltenes (SARA) analyses. In prior studies, partial phase diagrams and phase behavior models for Athabasca vacuum residue (AVR) comprising 32 wt % pentane asphaltenes + n-alkanes were reported. For mixtures with pentane, observed phase behaviors included single-phase liquid as well as liquid–liquid, liquid–liquid–vapor, and liquid–liquid–liquid–vapor regions. Dispersed solids were detected under some conditions as well but not quantified. In this work, small-angle X-ray scattering (SAXS) is used to study nanostructured materials in liquid phases present in AVR + n-pentane mixtures from 50 to 170 °C at mixture bubble pressure. The investigation focuses on the impact of the transition from a single AVR-rich liquid to co-existing pentane-rich and AVR-rich liquids on the nanostructure and the nanostructures most resistant to aggregation as the pentane composition axis is approached. Background scattering subtraction was performed using global mixture composition. The robustness of this assumption with respect to values obtained for coefficients appearing in a two level Beaucage unified equation fit is demonstrated. The nanostructured material is shown to arise at two length scales from 1 to 100 wt % AVR. Smaller nanostructures possess mean radii less than 50 Å, while the larger nanostructures possess mean radii greater than 250 Å. The addition of pentane to the AVR causes an increasingly large fraction of the large and small nanostructures to grow in size. Only nanostructures resistant to aggregation remain in the pentane-rich phase as the 0 wt % AVR axis is approached. Step changes in aggregation identified from changes in average radius of gyration, scattering

  11. Gas liquid flow at microgravity conditions - Flow patterns and their transitions

    NASA Astrophysics Data System (ADS)

    Dukler, A. E.; Fabre, J. A.; McQuillen, J. B.; Vernon, R.

    The prediction of flow patterns during gas-liquid flow in conduits is central to the modern approach for modeling two phase flow and heat transfer. The mechanisms of transition are reasonably well understood for flow in pipes on earth where it has been shown that body forces largely control the behavior observed. This work explores the patterns which exist under conditions of microgravity when these body forces are suppressed. Data are presented which were obtained for air-water flow in tubes during drop tower experiments and Learjet trajectories. Preliminary models to explain the observed flow pattern map are evolved.

  12. Critical temperature for the nuclear liquid-gas phase transition (from multifragmentation and fission)

    SciTech Connect

    Karnaukhov, V. A.; Oeschler, H.; Budzanowski, A.; Avdeyev, S. P.; Botvina, A. S.; Cherepanov, E. A.; Karcz, W.; Kirakosyan, V. V.; Rukoyatkin, P. A.; Skwirczynska, I.; Norbeck, E.

    2008-12-15

    Critical temperature T{sub c} for the nuclear liquid-gas phase transition is estimated from both the multifragmentation and fission data. In the first case, the critical temperature is obtained by analysis of the intermediate-mass-fragment yields in p(8.1 GeV) + Au collisions within the statistical model of multifragmentation. In the second case, the experimental fission probability for excited {sup 188}Os is compared with the calculated one with T{sub c} as a free parameter. It is concluded for both cases that the critical temperature is higher than 15 MeV.

  13. Finite-size scaling study of dynamic critical phenomena in a vapor-liquid transition

    NASA Astrophysics Data System (ADS)

    Midya, Jiarul; Das, Subir K.

    2017-01-01

    Via a combination of molecular dynamics (MD) simulations and finite-size scaling (FSS) analysis, we study dynamic critical phenomena for the vapor-liquid transition in a three dimensional Lennard-Jones system. The phase behavior of the model has been obtained via the Monte Carlo simulations. The transport properties, viz., the bulk viscosity and the thermal conductivity, are calculated via the Green-Kubo relations, by taking inputs from the MD simulations in the microcanonical ensemble. The critical singularities of these quantities are estimated via the FSS method. The results thus obtained are in nice agreement with the predictions of the dynamic renormalization group and mode-coupling theories.

  14. Ionic Switch Induced by a Rectangular-Hexagonal Phase Transition in Benzenammonium Columnar Liquid Crystals.

    PubMed

    Soberats, Bartolome; Yoshio, Masafumi; Ichikawa, Takahiro; Zeng, Xiangbing; Ohno, Hiroyuki; Ungar, Goran; Kato, Takashi

    2015-10-21

    We demonstrate switching of ionic conductivities in wedge-shaped liquid-crystalline (LC) ammonium salts. A thermoreversible phase transition between the rectangular columnar (Colr) and hexagonal columnar (Colh) phases is used for the switch. The ionic conductivities in the Colh phase are about four orders of magnitude higher than those in the Colr phase. The switching behavior of conductivity can be ascribed to the structural change of assembled ionic channels. X-ray experiments reveal a highly ordered packing of the ions in the Colr phase, which prevents the ion transport.

  15. Influence of the glass transition on the liquid-gas spinodal decomposition.

    PubMed

    Testard, Vincent; Berthier, Ludovic; Kob, Walter

    2011-03-25

    We use large-scale molecular dynamics simulations to study the kinetics of the liquid-gas phase separation if the temperature is lowered across the glass transition of the dense phase. We observe a gradual change from phase separated systems at high temperatures to nonequilibrium, gel-like structures that evolve very slowly at low temperatures. The microscopic mechanisms responsible for the coarsening strongly depend on temperature, and change from diffusive motion at high temperature to a strongly intermittent, heterogeneous, and thermally activated dynamics at low temperature, leading to logarithmically slow growth of the typical domain size.

  16. Gas liquid flow at microgravity conditions - Flow patterns and their transitions

    NASA Technical Reports Server (NTRS)

    Dukler, A. E.; Fabre, J. A.; Mcquillen, J. B.; Vernon, R.

    1987-01-01

    The prediction of flow patterns during gas-liquid flow in conduits is central to the modern approach for modeling two phase flow and heat transfer. The mechanisms of transition are reasonably well understood for flow in pipes on earth where it has been shown that body forces largely control the behavior observed. This work explores the patterns which exist under conditions of microgravity when these body forces are suppressed. Data are presented which were obtained for air-water flow in tubes during drop tower experiments and Learjet trajectories. Preliminary models to explain the observed flow pattern map are evolved.

  17. Gas holdup and flow regime transition in spider-sparger bubble column: effect of liquid phase properties

    NASA Astrophysics Data System (ADS)

    Besagni, G.; Inzoli, F.; De Guido, G.; Pellegrini, L. A.

    2017-01-01

    This paper discusses the effects of the liquid velocity and the liquid phase properties on the gas holdup and the flow regime transition in a large-diameter and large-scale counter-current two-phase bubble column. In particular, we compared and analysed the experimental data obtained in our previous experimental studies. The bubble column is 5.3 m in height, has an inner diameter of 0.24 m, it was operated with gas superficial velocities in the range of 0.004–0.20 m/s and, in the counter-current mode, the liquid was recirculated up to a superficial velocity of -0.09 m/s. Air was used as the dispersed phase and various fluids (tap water, aqueous solutions of sodium chloride, ethanol and monoethylene glycol) were employed as liquid phases. The experimental dataset consist in gas holdup measurements and was used to investigate the global fluid dynamics and the flow regime transition between the homogeneous flow regime and the transition flow regime. We found that the liquid velocity and the liquid phase properties significantly affect the gas holdup and the flow regime transition. In this respect, a possible relationship (based on the lift force) between the flow regime transition and the gas holdup was proposed.

  18. 3D printed quantum dot light-emitting diodes.

    PubMed

    Kong, Yong Lin; Tamargo, Ian A; Kim, Hyoungsoo; Johnson, Blake N; Gupta, Maneesh K; Koh, Tae-Wook; Chin, Huai-An; Steingart, Daniel A; Rand, Barry P; McAlpine, Michael C

    2014-12-10

    Developing the ability to 3D print various classes of materials possessing distinct properties could enable the freeform generation of active electronics in unique functional, interwoven architectures. Achieving seamless integration of diverse materials with 3D printing is a significant challenge that requires overcoming discrepancies in material properties in addition to ensuring that all the materials are compatible with the 3D printing process. To date, 3D printing has been limited to specific plastics, passive conductors, and a few biological materials. Here, we show that diverse classes of materials can be 3D printed and fully integrated into device components with active properties. Specifically, we demonstrate the seamless interweaving of five different materials, including (1) emissive semiconducting inorganic nanoparticles, (2) an elastomeric matrix, (3) organic polymers as charge transport layers, (4) solid and liquid metal leads, and (5) a UV-adhesive transparent substrate layer. As a proof of concept for demonstrating the integrated functionality of these materials, we 3D printed quantum dot-based light-emitting diodes (QD-LEDs) that exhibit pure and tunable color emission properties. By further incorporating the 3D scanning of surface topologies, we demonstrate the ability to conformally print devices onto curvilinear surfaces, such as contact lenses. Finally, we show that novel architectures that are not easily accessed using standard microfabrication techniques can be constructed, by 3D printing a 2 × 2 × 2 cube of encapsulated LEDs, in which every component of the cube and electronics are 3D printed. Overall, these results suggest that 3D printing is more versatile than has been demonstrated to date and is capable of integrating many distinct classes of materials.

  19. Accommodation response measurements for integral 3D image

    NASA Astrophysics Data System (ADS)

    Hiura, H.; Mishina, T.; Arai, J.; Iwadate, Y.

    2014-03-01

    We measured accommodation responses under integral photography (IP), binocular stereoscopic, and real object display conditions, and viewing conditions of binocular and monocular viewing conditions. The equipment we used was an optometric device and a 3D display. We developed the 3D display for IP and binocular stereoscopic images that comprises a high-resolution liquid crystal display (LCD) and a high-density lens array. The LCD has a resolution of 468 dpi and a diagonal size of 4.8 inches. The high-density lens array comprises 106 x 69 micro lenses that have a focal length of 3 mm and diameter of 1 mm. The lenses are arranged in a honeycomb pattern. The 3D display was positioned 60 cm from an observer under IP and binocular stereoscopic display conditions. The target was presented at eight depth positions relative to the 3D display: 15, 10, and 5 cm in front of the 3D display, on the 3D display panel, and 5, 10, 15 and 30 cm behind the 3D display under the IP and binocular stereoscopic display conditions. Under the real object display condition, the target was displayed on the 3D display panel, and the 3D display was placed at the eight positions. The results suggest that the IP image induced more natural accommodation responses compared to the binocular stereoscopic image. The accommodation responses of the IP image were weaker than those of a real object; however, they showed a similar tendency with those of the real object under the two viewing conditions. Therefore, IP can induce accommodation to the depth positions of 3D images.

  20. Surface Specularity as an Indicator of Shock-Induced Solid-Liquid Phase Transitions

    SciTech Connect

    Gerald Stevens, Stephen Lutz, William Turley, Lynn Veeser

    2007-06-29

    When highly polished metal surfaces melt upon release after shock loading, they exhibit a number of features that suggest that significant surface changes accompany the phase transition. The reflection of light from such surfaces changes from specular (pre-shock) to diffuse upon melting. A familiar manifestation of this phenomenon is the loss of signal light in velocimetric measurements typically observed above pressures high enough to melt the free-surface. Unlike many other potential material phase-sensitive diagnostics (e.g., reflectometery, conductivity), changes in the specularity of reflection provide a dramatic, sensitive indicator of the solid-liquid phase transition. Data will be presented from multiple diagnostics that support the hypothesis that specularity changes indicate melt. These diagnostics include shadowgraphy, infrared imagery, high-magnification surface images, interferometric velocimetry, and most recently scattering angle measurements.