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Sample records for solid conical structures

  1. Early structure of LPG partially premixed conically stabilized flames

    Elbaz, Ayman M.

    2013-01-01

    This paper presents experimental investigation of LPG partially premixed turbulent flames stabilized within a conical nozzle burner under constant degree of partial premixing. The stability limits and mean flame structure are presented based

  2. Smooth structures on pseudomanifolds with isolated conical singularities

    Le, Hong-Van; Somberg, P.; Vanžura, Jiří

    2013-01-01

    Roč. 38, č. 1 (2013), s. 33-54 ISSN 0251-4184 Institutional support: RVO:67985840 Keywords : conical pseudomanifold * symplectic form * Poisson structure Subject RIV: BA - General Mathematics http://link.springer.com/article/10.1007%2Fs40306-013-0009-0#

  3. Decomposition in conic optimization with partially separable structure

    Sun, Yifan; Andersen, Martin Skovgaard; Vandenberghe, Lieven

    2014-01-01

    Decomposition techniques for linear programming are difficult to extend to conic optimization problems with general nonpolyhedral convex cones because the conic inequalities introduce an additional nonlinear coupling between the variables. However in many applications the convex cones have...

  4. Early structure of LPG partially premixed conically stabilized flames

    Elbaz, Ayman M.

    2013-01-01

    This paper presents experimental investigation of LPG partially premixed turbulent flames stabilized within a conical nozzle burner under constant degree of partial premixing. The stability limits and mean flame structure are presented based on the mean gas temperature and the concentration of CO, O 2, NO, and HC at the flame early region of reaction. The investigation covered the influence of the nozzle cone angle, the jet exit velocity and the jet equivalence ratio. The stability results show that the flames with cone are more stable than those without cone. For conical stabilized flames, the stability results exhibit three different sensitivity regions between the jet velocity and equivalence ratio. The inflame measurements prove that the flame stability could be attributed to the triple flame structure at the flame leading edge. The data show that the triple flame structure is influenced by cone angle, the jet velocity and the equivalence ratio. The flame is believed to be controlled by the recirculation flow inside the cone. Increasing the cone angle induced higher air entrainment to the reaction zone as depicted by a higher O 2 concentration within the flame leading edge. Increasing the jet velocity to a certain limit enhances the intensity of combustion at the flame leading edge, while excessive increase in jet velocity reduces this intensity. At a fixed jet velocity the higher the equivalence ratio, the higher the amount of fuel diffused and engulfed to the reaction zone, the more delay of the combustion completion and the higher the emission concentrations of the flame. © 2012 Elsevier Inc.

  5. Formation of conical microstructures upon laser evaporation of solids

    Dolgaev, S.I.; Lavrishev, S.V.; Lyalin, A.A.; Simakin, A.V.; Voronov, V.V.; Shafeev, G.A. [General Physics Inst., Russian Academy of Sciences, Moscow (Russian Federation)

    2001-08-01

    The formation and development of the large-scale periodic structures on a single crystal Si surface are studied upon its evaporation by pulsed radiation of a copper vapor laser (wavelength of 510.6 nm, pulse duration of 20 ns). The development of structures occurs at a high number of laser shots ({proportional_to}10{sup 4}) at laser fluence of 1-2 J/cm{sup 2} below optical breakdown in a wide pressure range of surrounding atmosphere from 1 to 10{sup 5} Pa. The structures are cones with angles of 25, which grow towards the laser beam and protrude above the initial surface for 20-30 {mu}m. It is suggested that the spatial period of the structures (10-20 {mu}m) is determined by the capillary waves period on the molten surface. The X-ray diffractometry reveals that the modified area of the Si substrate has a polycrystalline structure and consists of Si nanoparticles with a size of 40-70 nm, depending on the pressure of surrounding gas. Similar structures are also observed on Ge and Ti. (orig.)

  6. Design and Manufacture of Conical Shell Structures Using Prepreg Laminates

    Khakimova, Regina; Burau, Florian; Degenhardt, Richard; Siebert, Mark; Castro, Saullo G. P.

    2016-06-01

    The design and manufacture of unstiffened composite conical structures is very challenging, as the variation of the fiber orientations, lay-up and the geometry of the ply pieces have a significant influence on the thickness imperfections and ply angle deviations imprinted to the final part. This paper deals with the manufacture of laminated composite cones through the prepeg/autoclave process. The cones are designed to undergo repetitive buckling tests without accumulating permanent damage. The aim is to define a process that allows the control of fiber angle deviations and the removal of thickness imperfections generated from gaps and overlaps between ply pieces. Ultrasonic scan measurements are used to proof the effectiveness of the proposed method.

  7. Probabilistic structural assessment of conical grouted joint using numerical modelling

    Njomo-Wandji, Wilfried; Natarajan, Anand; Dimitrov, Nikolay

    2018-01-01

    Conical grouted joints have been proposed as a solution for the relative settlement observed between the sleeve and the pile on monopiles for wind turbines. In this paper, the influence of the design parameters such as steel wall thicknesses and conical angle on the failure modes associated...... to continual loadings are assessed based on finite element analysis. It is found that both the sleeve's and pile's wall thicknesses have a significant impact on the grouted joint health. Namely, the larger are the wall thicknesses, the more vulnerable the grout is with respect to fatigue and material...

  8. The flow field structure of highly stabilized partially premixed flames in a concentric flow conical nozzle burner with coflow

    Elbaz, Ayman M.; Zayed, M.F.; Samy, M.; Roberts, William L.; Mansour, Mohy S.

    2015-01-01

    The stability limits, the stabilization mechanism, and the flow field structure of highly stabilized partially premixed methane flames in a concentric flow conical nozzle burner with air co-flow have been investigated and presented in this work

  9. Interferometric characterization of the structured polarized light beam produced by the conical refraction phenomenon.

    Peinado, Alba; Turpin, Alex; Iemmi, Claudio; Márquez, Andrés; Kalkandjiev, Todor K; Mompart, Jordi; Campos, Juan

    2015-07-13

    The interest on the conical refraction (CR) phenomenon in biaxial crystals has revived in the last years due to its prospective for generating structured polarized light beams, i.e. vector beams. While the intensity and the polarization structure of the CR beams are well known, an accurate experimental study of their phase structure has not been yet carried out. We investigate the phase structure of the CR rings by means of a Mach-Zehnder interferometer while applying the phase-shifting interferometric technique to measure the phase at the focal plane. In general the two beams interfering correspond to different states of polarization (SOP) which locally vary. To distinguish if there is an additional phase added to the geometrical one we have derived the appropriate theoretical expressions using the Jones matrix formalism. We demonstrate that the phase of the CR rings is equivalent to that one introduced by an azimuthally segmented polarizer with CR-like polarization distribution. Additionally, we obtain direct evidence that the Poggendorff dark ring is an annular singularity, with a π phase change between the inner and outer bright rings.

  10. On functionally-graded crashworthy shape of conical structures for multiple load cases

    Pang, Tong; Li, Yinfeng; Kang, Hehe; Sun, Guangyong; Li, Qing; Fang, Jianguang

    2017-01-01

    Many studies on energy absorbers have been focused on tapered tubes because they have significant advantages in crashworthiness and provide a desired constant load-deflection response. However, few studies have been reported on tapered tubes with nonlinearly- variable diameters along the longitudinal direction. This paper presents thin-walled Functionally graded tapered tube (FGTT) with a diameter varying nonlinearly subject to axial (0°) and oblique (10°, 20°, 30°) impacts. To explore the advantages of FGTT, conventional Straight/Conical circular tube (SCT/CCT) with the same mass are compared; and FGTTs with a gradient exponent n > 1 are found to be preferable to others in terms of energy absorption capacity under small impact angles. Then, crashworthiness analyses of different crushing distances are conducted and it is found that under a large impact angle (e.g. 20°, 30°), FGTT with a short crushing distance (e.g. 40mm) have a higher mean crashing force than long crushing distance (e.g. 120 mm), especially for n > 1. In addition, the effect of geometric parameters, such as the gradient exponent n and diameter range ΔD between top (incident) and bottom (distal) diameters of FGTTs, are also studied and it is found that the FGTT with ΔD = 40 mm and n > 1 exhibits better crashworthiness than the others under small impact angles (0°, 10°). This paper demonstrates that such FGTT structures have a certain potential to be an energy absorber.

  11. On functionally-graded crashworthy shape of conical structures for multiple load cases

    Pang, Tong; Li, Yinfeng [Hunan University, Changsha (China); Kang, Hehe [Chongqing Changan Automobile Co. Ltd., Chongqing (China); Sun, Guangyong; Li, Qing [The University of Sydney, Sydney (Australia); Fang, Jianguang [University of Technology Sydney, Sydney (Australia)

    2017-06-15

    Many studies on energy absorbers have been focused on tapered tubes because they have significant advantages in crashworthiness and provide a desired constant load-deflection response. However, few studies have been reported on tapered tubes with nonlinearly- variable diameters along the longitudinal direction. This paper presents thin-walled Functionally graded tapered tube (FGTT) with a diameter varying nonlinearly subject to axial (0°) and oblique (10°, 20°, 30°) impacts. To explore the advantages of FGTT, conventional Straight/Conical circular tube (SCT/CCT) with the same mass are compared; and FGTTs with a gradient exponent n > 1 are found to be preferable to others in terms of energy absorption capacity under small impact angles. Then, crashworthiness analyses of different crushing distances are conducted and it is found that under a large impact angle (e.g. 20°, 30°), FGTT with a short crushing distance (e.g. 40mm) have a higher mean crashing force than long crushing distance (e.g. 120 mm), especially for n > 1. In addition, the effect of geometric parameters, such as the gradient exponent n and diameter range ΔD between top (incident) and bottom (distal) diameters of FGTTs, are also studied and it is found that the FGTT with ΔD = 40 mm and n > 1 exhibits better crashworthiness than the others under small impact angles (0°, 10°). This paper demonstrates that such FGTT structures have a certain potential to be an energy absorber.

  12. Effect of the mixing fields on the stability and structure of turbulent partially premixed flames in a concentric flow conical nozzle burner

    Mansour, Mohy S.; Elbaz, Ayman M.; Roberts, William L.; Senosy, Mohamed S.; Zayed, Mohamed F.; Juddoo, Mrinal; Masri, Assaad R.

    2016-01-01

    of partially premixed methane flames. The mixing field in a concentric flow conical nozzle (CFCN) burner with well-controlled mechanism of the mixing is investigated using Rayleigh scattering technique. The flame stability, structure and flow field of some

  13. Flow structures in large-angle conical diffusers measured by PIV

    Meyer, Knud Erik; Nielsen, L.; Nielsen, N.F.

    2004-01-01

    Flow in two different conical diffusers with large opening angles (30° and 18°) have been measured with stereoscopic Particle Image Velocimetry (PIV). The measurements were done in a cross section just after the exit of the diffuser. The Reynolds number was 100000 based on upstream diameter...

  14. Solid hydrogen structure

    Collins, G.W.; Unites, W.G.; Mapoles, E.R.; Magnotta, F.; Bernat, T.P.

    1994-11-01

    The J=0->2 Raman signal from solid J=0 D 2 or H 2 reveals HCP structure when deposited at a rate 0.1 ≤ R(μ/min) ≤ 40 onto MgF 2 at T d /T tp > 0.3, a mixture of HCP and FCC crystals at 0.2 d /T tp d /T tp tp is the triple point temperature. Non-HCP crystals transform to HCP continuously and irreversibly with increasing T. Finally, the crystal size decreases with decreasing T d and increasing R, from ∼ 1 mm at T d ∼ 0.8 T tp and R ∼ 2 μ/min to ∼ 1 μm at 0.25 T tp and R ∼ 40 μ/min

  15. The electronic structures of solids

    Coles, B R

    2013-01-01

    The Electronic Structures of Solids aims to provide students of solid state physics with the essential concepts they will need in considering properties of solids that depend on their electronic structures and idea of the electronic character of particular materials and groups of materials. The book first discusses the electronic structure of atoms, including hydrogen atom and many-electron atom. The text also underscores bonding between atoms and electrons in metals. Discussions focus on bonding energies and structures in the solid elements, eigenstates of free-electron gas, and electrical co

  16. Geometry of conics

    Akopyan, A V

    2007-01-01

    The book is devoted to the properties of conics (plane curves of second degree) that can be formulated and proved using only elementary geometry. Starting with the well-known optical properties of conics, the authors move to less trivial results, both classical and contemporary. In particular, the chapter on projective properties of conics contains a detailed analysis of the polar correspondence, pencils of conics, and the Poncelet theorem. In the chapter on metric properties of conics the authors discuss, in particular, inscribed conics, normals to conics, and the Poncelet theorem for confoca

  17. Hole Feature on Conical Face Recognition for Turning Part Model

    Zubair, A. F.; Abu Mansor, M. S.

    2018-03-01

    Computer Aided Process Planning (CAPP) is the bridge between CAD and CAM and pre-processing of the CAD data in the CAPP system is essential. For CNC turning part, conical faces of part model is inevitable to be recognised beside cylindrical and planar faces. As the sinus cosines of the cone radius structure differ according to different models, face identification in automatic feature recognition of the part model need special intention. This paper intends to focus hole on feature on conical faces that can be detected by CAD solid modeller ACIS via. SAT file. Detection algorithm of face topology were generated and compared. The study shows different faces setup for similar conical part models with different hole type features. Three types of holes were compared and different between merge faces and unmerge faces were studied.

  18. CONICAL EQUIPOTENTIAL SUBSTRATE FOR LIQUID METAL SOURCES

    Kubby , J.; Siegel , B.

    1986-01-01

    Morphological changes that occur at an ion bombarded surface as a result of erosion by sputtering can be utilized for the machining of cylindrically symmetric submicron structures. Such structuring has produced tungsten field emitters of conical configuration with variable cone half angle. A conical equipotential surface with an included half angle of 49.3° would be a useful emitter substrate for experiments designed to produce an equilibrium conical interface to a conducting fluid in an appl...

  19. Numerical simulation and PEPT measurements of a 3D conical helical-bla de mixer: A high potential solids mixer for solid-state fermentation

    Schutyser, M.A.I.; Schutyser, M.A.I.; Briels, Willem J.; Rinzema, A.; Boom, R.M.; Boom, R.M.

    2003-01-01

    Helical-blade solids mixers have a large potential as bioreactors for solid-state fermentation (SSF). Fundamental knowledge of the flow and mixing behavior is required for robust operation of these mixers. In this study predictions of a discrete particle model were compared to experiments with

  20. Numerical simulation and PEPT measurements of a 3D conical helical-blade mixer: a high potential solids mixer for solid-state fermentation

    Schutyser, M.A.I.; Briels, W.J.; Rinzema, A.; Boom, R.M.

    2003-01-01

    Helical-blade solids mixers have a large potential as bioreactors for solid-state fermentation (SSF). Fundamental knowledge of the flow and mixing behavior is required for robust operation of these mixers. In this study predictions of a discrete particle model were compared to experiments with

  1. The flow field structure of highly stabilized partially premixed flames in a concentric flow conical nozzle burner with coflow

    Elbaz, Ayman M.

    2015-08-29

    The stability limits, the stabilization mechanism, and the flow field structure of highly stabilized partially premixed methane flames in a concentric flow conical nozzle burner with air co-flow have been investigated and presented in this work. The stability map of partial premixed flames illustrates that the flames are stable between two extinction limits. A low extinction limit when partial premixed flames approach non-premixed flame conditions, and a high extinction limit, with the partial premixed flames approach fully premixed flame conditions. These two limits showed that the most stable flame conditions are achieved at a certain degree of partial premixed. The stability is improved by adding air co-flow. As the air co-flow velocity increases the most stable flames are those that approach fully premixed. The turbulent flow field of three flames at 0, 5, 10 m/s co-flow velocity are investigated using Stereo Particle Image Velocimetry (SPIV) in order to explore the improvement of the flame stability due to the use of air co-flow. The three flames are all at a jet equivalence ratio (Φj) of 2, fixed level of partial premixing and jet Reynolds number (Rej) of 10,000. The use of co-flow results in the formation of two vortices at the cone exit. These vortices act like stabilization anchors for the flames to the nozzle tip. With these vortices in the flow field, the reaction zone shifts toward the reduced turbulence intensity at the nozzle rim of the cone. Interesting information about the structure of the flow field with and without co-flow are identified and reported in this work.

  2. New Chaotic Dynamical System with a Conic-Shaped Equilibrium Located on the Plane Structure

    Jiri Petrzela

    2017-09-01

    Full Text Available This paper presents a new autonomous deterministic dynamical system with equilibrium degenerated into a plane-oriented hyperbolic geometrical structure. It is demonstrated via numerical analysis and laboratory experiments that the discovered system has both a structurally stable strange attractor and experimentally measurable chaotic behavior. It is shown that the evolution of complex dynamics can be associated with a single parameter of a mathematical model and, due to one-to-one correspondence, to a single circuit parameter. Two-dimensional high resolution plots of the largest Lyapunov exponent and basins of attraction expressed in terms of final state energy are calculated and put into the context of the discovered third-order mathematical model and real chaotic oscillator. Both voltage- and current-mode analog chaotic oscillators are presented and verified by visualization of the typical chaotic attractor in a different fashion.

  3. Flow structure of conical distributed multiple gas jets injected into a water chamber

    Zhao, Jiajun; Yu, Yonggang [Nanjing University of Science and Technology, Nanjing (China)

    2017-04-15

    Based on an underwater gun firing project, a mock bullet with several holes on the head was designed and experimented to observe the combustion gas injected into a cylindrical water chamber through this mock bullet. The combustion gas jets contain one vertical central jet and 4 to 8 slant lateral jets. A high speed camera system was used to record the expansion of gas jets in the experimental study. In numerical simulations, the Euler two-fluid model and volume of fluid method were adopted to describe the gas-liquid flow. The results show the backflow zone in lateral jet is the main factor influencing the gas-liquid turbulent mixing in downstream. On cross sections, the gas volume fraction increased with time but the growth rate decreased. With a change of nozzle structure, the gas fraction was more affected than the shock structure.

  4. AUTOJOM, Quadratic Equation Coefficient for Conic Volume, Parallelepipeds, Wedges, Pyramids. JOMREAD, Check of 3-D Geometry Structure from Quadratic Surfaces

    2005-01-01

    Nature of physical problem solved: AUTOJOM is a computer program that will generate the coefficients of any quadratic equation used to define conic volumes and also the coefficients of the planes needed to define parallelepipeds, wedges, and pyramids. JOMREAD is a computer code to check any 3D geometry composed of and constructed with quadratic surfaces

  5. Anisotropic Exchange Interaction in the Conical Magnetic Phase of Erbium

    Jensen, J.

    1974-01-01

    From a general two ion spin Hamiltonian, an expression is deduced for the energies of spin waves propagating in a hexagonal solid in which the magnetic moments are ordered in a conical or helical structure. The spin wave dispersion relation in the c direction of Er in its conical magnetic phase...... at 4.5K, which has been studied by Nicklow et al (1971) is reanalysed. In this analysis an alternative kind of anisotropic coupling between the total angular moments (Ji and Jj) on the sites i and j is introduced which is proportional to the following combination of Racah operators: O2, -2(Ji), O2, -2......(Jj), expressed with respect to a coordinate system with the z axis along the c direction. The resulting anisotropy (both the constant and the q dependent part) is reduced by an order of magnitude in comparison with that deduced by Nicklow et al (1971). The constant anisotropy is found to be equal...

  6. Conical nano-structure arrays of Platinum cathode catalyst for enhanced cell performance in PEMFC (proton exchange membrane fuel cell)

    Khan, Aziz; Nath, Bhabesh Kumar; Chutia, Joyanti

    2015-01-01

    Conical nanostructure arrays of Pt (Platinum) as cathode catalyst are developed using a novel integrated plasma sputtering technique. The integration method involves successive deposition of Pt catalyst arrays one upon another maintaining a uniform time gap. Deposition by integrated approach results in the formation of dense arrays of Pt nanostructure as compared to continuous deposition. These high number density integrated arrays with low Pt loading of 0.10 mg cm −2 at the cathode provide enhanced performance compared to non-integrated cathode catalyst prepared by continuous deposition and standard commercial electrodes with Pt loadings of 1 mg cm −2 . The performance is compared on the basis of polarization curve measurements and the calculated power density values. PEM fuel cell with dual integrated cathode showed an improved power density of 0.90 W cm −2 , which is higher than continuously deposited cathode catalyst with maximum power density of 0.67 W cm −2 for the same Pt loading of 0.10 mg cm −2 . - Highlights: • Conical nanostructures with high number density are prepared by a novel integrated deposition technique. • Electrode with such catalyst shows maximum performance of 0.9 W cm −2 . • Integrated catalyst performs better than continuously prepared nanostructure catalyst.

  7. Investigation of defect structures in solids

    Dienel, G; Hubrig, W H; Schenk, M; Syhre, H [Zentralinstitut fuer Kernforschung, Rossendorf bei Dresden (German Democratic Republic)

    1976-01-01

    Some central points of interest of research in the field of defect structures in solids dealt with at the Central Institute of Nuclear Research at Rossendorf in the last years are presented. Studies on f.c.c. and b.c.c. metals, radiation-induced phase transitions in perovskites and ion-implanted silicon are described in some detail.

  8. Structural Studies of Biological Solids Using NMR

    Ramamoorthy, Ayyalusamy

    2011-03-01

    High-resolution structure and dynamics of biological molecules are important in understanding their function. While studies have been successful in solving the structures of water-soluble biomolecules, it has been proven difficult to determine the structures of membrane proteins and fibril systems. Recent studies have shown that solid-state NMR is a promising technique and could be highly valuable in studying such non-crystalline and non-soluble biosystems. I will present strategies to study the structures of such challenging systems and also about the applications of solid-state NMR to study the modes of membrane-peptide interactions for a better assessment of the prospects of antimicrobial peptides as substitutes to antibiotics in the control of human disease. Our studies on the mechanism of membrane disruption by LL-37 (a human antimicrobial peptide), analogs of the naturally occurring antimicrobial peptide magainin2 extracted from the skin of the African frog Xenopus Laevis, and pardaxin will be presented. Solid-state NMR experiments were used to determine the secondary structure, dynamics and topology of these peptides in lipid bilayers. Similarities and difference in the cell-lysing mechanism, and their dependence on the membrane composition, of these peptides will be discussed. Atomic-level resolution NMR structures of amyloidogenic proteins revealing the misfolding pathway and early intermediates that play key roles in amyloid toxicity will also be presented.

  9. Effect of the mixing fields on the stability and structure of turbulent partially premixed flames in a concentric flow conical nozzle burner

    Mansour, Mohy S.

    2016-10-22

    The mixing field is known to be one of the key parameters that affect the stability and structure of partially premixed flames. Data in these flames are now available covering the effects of turbulence, combustion system geometry, level of partially premixing and fuel type. However, quantitative analyses of the flame structure based on the mixing field are not yet available. The aim of this work is to present a comprehensive study of the effects of the mixing fields on the structure and stability of partially premixed methane flames. The mixing field in a concentric flow conical nozzle (CFCN) burner with well-controlled mechanism of the mixing is investigated using Rayleigh scattering technique. The flame stability, structure and flow field of some selected cases are presented using LIF of OH and PIV. The experimental data of the mixing field cover wide ranges of Reynolds number, equivalence ratio and mixing length. The data show that the mixing field is significantly affected by the mixing length and the ratio of the air-to-fuel velocities. The Reynolds number has a minimum effect on the mixing field in high turbulent flow regime and the stability is significantly affected by the turbulence level. The temporal fluctuations of the range of mixture fraction within the mixing field correlate with the flame stability. The highest point of stability occurs at recess distances where fluid mixtures near the jet exit plane are mostly within the flammability limits. This paper provides some correlations between the stability range in mixture fraction space and the turbulence level for different equivalence ratios.

  10. Filling a Conical Cavity

    Nye, Kyle; Eslam-Panah, Azar

    2016-11-01

    Root canal treatment involves the removal of infected tissue inside the tooth's canal system and filling the space with a dense sealing agent to prevent further infection. A good root canal treatment happens when the canals are filled homogeneously and tightly down to the root apex. Such a tooth is able to provide valuable service for an entire lifetime. However, there are some examples of poorly performed root canals where the anterior and posterior routes are not filled completely. Small packets of air can be trapped in narrow access cavities when restoring with resin composites. Such teeth can cause trouble even after many years and lead the conditions like acute bone infection or abscesses. In this study, the filling of dead-end conical cavities with various liquids is reported. The first case studies included conical cavity models with different angles and lengths to visualize the filling process. In this investigation, the rate and completeness at which a variety of liquids fill the cavity were observed to find ideal conditions for the process. Then, a 3D printed model of the scaled representation of a molar with prepared post spaces was used to simulate the root canal treatment. The results of this study can be used to gain a better understanding of the restoration for endodontically treated teeth.

  11. Enhancement of heat transfer rate with structural modification of double pipe heat exchanger by changing cylindrical form of tubes into conical form

    Hashemian, Mehran; Jafarmadar, Samad; Nasiri, Javid; Sadighi Dizaji, Hamed

    2017-01-01

    Highlights: • An improved geometry is presented by changing tubes form into conical. • Enhancement of heat transfer rate is investigated. • Frictional characteristics for novel geometry are studied. • For a proper understanding of the subject, the exact physical interpretation is added. • The effect of flow, geometry and thermodynamic parameters is considered. - Abstract: In this paper, cylindrical tubes of a double pipe heat exchanger were changed into the conical tubes as an innovative design which causes improvement of thermal performance of heat exchanger without increment of its weight. Utilization of conical tube instead of cylindrical tube can impress both thermal and frictional characteristics of heat exchanger. Hence, the effect of conical tubes on Nusselt number, friction factor and thermal performance factor are evaluated in present research which was not covered already. Moreover, the effects of hydrodynamic, thermodynamic and geometrical characteristics are analyzed. All said parameters are numerically investigated for nine different combinations of flow direction and conical tubes geometry. The results of simulations of the said configurations are presented to compare the cases from different points of view and determine the most thermally efficient case. The results reveal modified geometry makes 63% increment in Nu number and 54% increment in heat transfer rate at optimum condition.

  12. Limit analysis of solid reinforced concrete structures

    Larsen, Kasper Paaske

    2009-01-01

    Recent studies have shown that Semidefinite Programming (SDP) can be used effectively for limit analysis of isotropic cohesive-frictional continuums using the classical Mohr-Coulomb yield criterion. In this paper we expand on this previous research by adding reinforcement to the model and a solid...... reinforcement and it is therefore possible to analyze structures with complex reinforcement layouts. Tests are conducted to validate the method against well-known analytical solutions....

  13. Dissipative Structures At Laser-Solid Interactions

    Nanai, Laszlo

    1989-05-01

    The questions which are discussed in this lecture refer to one of sections of laser-solid interactions, namely: to formation of different dissipative structures on the surface of metals and semiconductors when they are irradiated by intensive laser light in chemically active media (f.e.air). Some particular examples of the development at different spatial and time instabilities, periodic and stochastic structures, auto-wave processes are present-ed using testing materials vanadium metal and semiconducting V205 single crystals and light sources: cw and pulsed CO2 and YAG lasers.

  14. Flow-Structural Interaction in Solid Rocket Motors

    Murdock, John

    2004-01-01

    .... The static test failure of the Titan solid rocket motor upgrade (SRMU) that occurred on 1 April, 1991, demonstrated the importance of flow-structural modeling in the design of large, solid rocket motors...

  15. Inelastic analysis of solids and structures

    Kojic, M; Bathe, K J; Koji?, Milo

    2005-01-01

    Inelastic Analysis of Solids and Structures presents in a unified manner the physical and theoretical background of inelastic material models and computational methods, and illustrates the behavior of the models in typical engineering conditions.It is based on experimental observations and principles of mechanics, thus describing computational algorithms for stress calculation and presenting solved examples.The theoretical background is given to an extent necessary to describe the commonly employed material models in metal isotropic and orthotropic plasticity, thermoplasticity and viscoplasticity, and the plasticity of geological materials.The computational algorithms are developed in a unified manner with some detailed derivations of the algorithmic relations.The solved examples are designed to give insight into the material behavior in various engineering conditions, and to demonstrate the application of the computational algorithms.

  16. I’m Discovering Conics and Designing Buildings with Conics

    Serkan KULOGLU

    2015-01-01

    Full Text Available There are three stages in this activity. At the first stage, it is provided that gifted students learn the subject of conic through discovery learning method. By this way, the formation of misconceptions that students frequently encounter in mathematics has been prevented. At the second stage, gifted students have been asked to draw the conical objects which they encounter in their daily life. Thus, it has contributed to the development of gifted students’ creativity. At the third stage, gifted students have been asked to design a buildings consisting of conics. Moreover, gifted students have been informed that the buildings which they have been asked to design, would be evaluated according to the criteria which set before. And then, the building design model has been done by gifted students.

  17. Characterizing conical refraction optical tweezers

    McDonald, C.; McDougall, C.; Rafailov, E.; McGloin, D.

    2014-12-01

    Conical refraction occurs when a beam of light travels through an appropriately cut biaxial crystal. By focussing the conically refracted beam through a high numerical aperture microscope objective, conical refraction optical tweezers can be created, allowing for particle manipulation in both Raman spots and in the Lloyd/Poggendorff rings. We present a thorough quantification of the trapping properties of such a beam, focussing on the trap stiffness and how this varies with trap power and trapped particle location. We show that the lower Raman spot can be thought of as a single-beam optical gradient force trap, while radiation pressure dominates in the upper Raman spot, leading to optical levitation rather than trapping. Particles in the Lloyd/Poggendorff rings experience a lower trap stiffness than particles in the lower Raman spot but benefit from rotational control.

  18. Thermocapillary droplet actuation on structured solid surfaces

    Karapetsas, George; Chamakos, Nikolaos T.; Papathanasiou, Athanasios G.

    2017-11-01

    The present work investigates, through 2D and 3D finite element simulations, the thermocapillary-driven flow inside a droplet which resides on a non-uniformly heated patterned surface. We employ a recently proposed sharp-interface scheme capable of efficiently modelling the flow over complicate surfaces and consider a wide range of substrate wettabilities, i.e. from hydrophilic to super-hydrophobic surfaces. Our simulations indicate that due to the presence of the solid structures and the induced effect of contact angle hysteresis, inherently predicted by our model, a critical thermal gradient arises beyond which droplet migration is possible, in line with previous experimental observations. The migration velocity as well as the direction of motion depends on the combined action of the net mechanical force along the contact line and the thermocapillary induced flow at the liquid-air interface. We also show that through a proper control and design of the substrate wettability, the contact angle hysteresis and the induced flow field it is possible to manipulate the droplet dynamics, e.g. controlling its motion along a predefined track or entrapping by a wetting defect a droplet based on its size as well as providing appropriate conditions for enhanced mixing inside the droplet. Funding from the European Research Council under the Europeans Community's Seventh Framework Programme (FP7/2007-2013)/ERC Grant agreement no. [240710] is acknowledged.

  19. Transire, a Program for Generating Solid-State Interface Structures

    2017-09-14

    ARL-TR-8134 ● SEP 2017 US Army Research Laboratory Transire, a Program for Generating Solid-State Interface Structures by...Program for Generating Solid-State Interface Structures by Caleb M Carlin and Berend C Rinderspacher Weapons and Materials Research Directorate, ARL...

  20. Fundamentals of amorphous solids structure and properties

    Stachurski, Zbigniew H

    2014-01-01

    Long awaited, this textbook fills the gap for convincing concepts to describe amorphous solids. Adopting a unique approach, the author develops a framework that lays the foundations for a theory of amorphousness. He unravels the scientific mysteries surrounding the topic, replacing rather vague notions of amorphous materials as disordered crystalline solids with the well-founded concept of ideal amorphous solids. A classification of amorphous materials into inorganic glasses, organic glasses, glassy metallic alloys, and thin films sets the scene for the development of the model of ideal amorph

  1. Understanding the Conics through Augmented Reality

    Salinas, Patricia; Pulido, Ricardo

    2017-01-01

    This paper discusses the production of a digital environment to foster the learning of conics through augmented reality. The name conic refers to curves obtained by the intersection of a plane with a right circular conical surface. The environment gives students the opportunity to interact with the cone and the plane as virtual objects in real…

  2. Biophysical basis for the geometry of conical stromatolites.

    Petroff, Alexander P; Sim, Min Sub; Maslov, Andrey; Krupenin, Mikhail; Rothman, Daniel H; Bosak, Tanja

    2010-06-01

    Stromatolites may be Earth's oldest macroscopic fossils; however, it remains controversial what, if any, biological processes are recorded in their morphology. Although the biological interpretation of many stromatolite morphologies is confounded by the influence of sedimentation, conical stromatolites form in the absence of sedimentation and are, therefore, considered to be the most robust records of biophysical processes. A qualitative similarity between conical stromatolites and some modern microbial mats suggests a photosynthetic origin for ancient stromatolites. To better understand and interpret ancient fossils, we seek a quantitative relationship between the geometry of conical stromatolites and the biophysical processes that control their growth. We note that all modern conical stromatolites and many that formed in the last 2.8 billion years display a characteristic centimeter-scale spacing between neighboring structures. To understand this prominent-but hitherto uninterpreted-organization, we consider the role of diffusion in mediating competition between stromatolites. Having confirmed this model through laboratory experiments and field observation, we find that organization of a field of stromatolites is set by a diffusive time scale over which individual structures compete for nutrients, thus linking form to physiology. The centimeter-scale spacing between modern and ancient stromatolites corresponds to a rhythmically fluctuating metabolism with a period of approximately 20 hr. The correspondence between the observed spacing and the day length provides quantitative support for the photosynthetic origin of conical stromatolites throughout geologic time.

  3. Flow acoustics in solid-fluid structures

    Willatzen, Morten; Mads, Mikhail Vladimirovich Deryabin

    2008-01-01

    along the x direction. In the first part of the paper, the governing set of differential equations are derived as well as the imposed boundary conditions. Solutions are provided using Hamilton's equations for the wavenumber vs. frequency as a function of the number and thickness of solid layers......The governing two-dimensional equations of a heterogeneous material composed of a fluid (allowed to flow in the absence of acoustic excitations) and a crystalline piezoelectric cubic solid stacked one-dimensionally (along the z direction) are derived and special emphasis is given to the discussion...

  4. Orbital approach to the electronic structure of solids

    Canadell, Enric; Iung, Christophe

    2012-01-01

    This book provides an intuitive yet sound understanding of how structure and properties of solids may be related. The natural link is provided by the band theory approach to the electronic structure of solids. The chemically insightful concept of orbital interaction and the essential machinery of band theory are used throughout the book to build links between the crystal and electronic structure of periodic systems. In such a way, it is shown how important tools for understandingproperties of solids like the density of states, the Fermi surface etc. can be qualitatively sketched and used to ei

  5. Path integration in conical space

    Inomata, Akira; Junker, Georg

    2012-01-01

    Quantum mechanics in conical space is studied by the path integral method. It is shown that the curvature effect gives rise to an effective potential in the radial path integral. It is further shown that the radial path integral in conical space can be reduced to a form identical with that in flat space when the discrete angular momentum of each partial wave is replaced by a specific non-integral angular momentum. The effective potential is found proportional to the squared mean curvature of the conical surface embedded in Euclidean space. The path integral calculation is compatible with the Schrödinger equation modified with the Gaussian and the mean curvature. -- Highlights: ► We study quantum mechanics on a cone by the path integral approach. ► The path integral depends only on the metric and the curvature effect is built in. ► The approach is consistent with the Schrödinger equation modified by an effective potential. ► The effective potential is found to be of the “Jensen–Koppe” and “da Costa” type.

  6. Radially Polarized Conical Beam from an Embedded Etched Fiber

    Kalaidji , D.; Spajer , M.; Marthouret , N.; Grosjean , T.

    2009-01-01

    International audience; We propose a method for producing a conical beam based on the lateral refraction of the TM01 mode from a two-mode fiber after chemical etching of the cladding, and for controlling its radial polarization. The whole power of the guided mode is transferred to the refracted beam with low diffraction. Polarization control by a series of azimuthal detectors and a stress controller affords the transmission of a stabilized radial polarization through an optical fiber. A solid...

  7. Determining partial differential cross sections for low-energy electron photodetachment involving conical intersections using the solution of a Lippmann-Schwinger equation constructed with standard electronic structure techniques.

    Han, Seungsuk; Yarkony, David R

    2011-05-07

    A method for obtaining partial differential cross sections for low energy electron photodetachment in which the electronic states of the residual molecule are strongly coupled by conical intersections is reported. The method is based on the iterative solution to a Lippmann-Schwinger equation, using a zeroth order Hamiltonian consisting of the bound nonadiabatically coupled residual molecule and a free electron. The solution to the Lippmann-Schwinger equation involves only standard electronic structure techniques and a standard three-dimensional free particle Green's function quadrature for which fast techniques exist. The transition dipole moment for electron photodetachment, is a sum of matrix elements each involving one nonorthogonal orbital obtained from the solution to the Lippmann-Schwinger equation. An expression for the electron photodetachment transition dipole matrix element in terms of Dyson orbitals, which does not make the usual orthogonality assumptions, is derived.

  8. Bonding, structure and solid-state chemistry

    Ladd, Mark

    2016-01-01

    This book is aimed at undergraduate students in both chemistry and those degree subjects in which chemistry forms a significant part. It does not reflect any particular academic year, and so finds a place during the normal span of degree studies in the physical sciences. An A-level standard in science and mathematics is presumed; additional mathematical treatments are discussed in Appendices. An introductory first chapter leads into the main subject matter, which is treated through four chapters in terms of the principle bonding forces of cohesion in the solid state; a further chapter discusses nanosize materials. Important applications of the study topics are interspersed at appropriate points within the text. Each chapter is provided with a set of problems of varying degrees of difficulty, so as to assist the reader in gaining a facility with the subject matter and its applications. The problems are supplemented by detailed tutorial solutions, some of which present additional relevant material that indicate...

  9. A hydronitrogen solid: high pressure ab initio evolutionary structure searches

    Hu Anguang; Zhang Fan

    2011-01-01

    High pressure ab initio evolutionary structure searches resulted in a hydronitrogen solid with a composition of (NH) 4 . The structure searches also provided two molecular isomers, ammonium azide (AA) and trans-tetrazene (TTZ) which were previously discovered experimentally and can be taken as molecular precursors for high pressure synthesis of the hydronitrogen solid. The computed pressure versus enthalpy diagram showed that the transformation pressure to the hydronitrogen solid is 36 GPa from AA and 75 GPa from TTZ. Its metastability was analyzed by the phonon dispersion spectrum and room-temperature vibrational density of state together with the transformation energy barrier back to molecular phases at 298 K. The predicted energy barrier of 0.21 eV/atom means that the proposed hydronitrogen solid should be very stable at ambient conditions. (fast track communication)

  10. Structural diversity of solid dispersions of acetylsalicylic acid as seen by solid-state NMR.

    Policianova, Olivia; Brus, Jiri; Hruby, Martin; Urbanova, Martina; Zhigunov, Alexander; Kredatusova, Jana; Kobera, Libor

    2014-02-03

    Solid dispersions of active pharmaceutical ingredients are of increasing interest due to their versatile use. In the present study polyvinylpyrrolidone (PVP), poly[N-(2-hydroxypropyl)-metacrylamide] (pHPMA), poly(2-ethyl-2-oxazoline) (PEOx), and polyethylene glycol (PEG), each in three Mw, were used to demonstrate structural diversity of solid dispersions. Acetylsalicylic acid (ASA) was used as a model drug. Four distinct types of the solid dispersions of ASA were created using a freeze-drying method: (i) crystalline solid dispersions containing nanocrystalline ASA in a crystalline PEG matrix; (ii) amorphous glass suspensions with large ASA crystallites embedded in amorphous pHPMA; (iii) solid solutions with molecularly dispersed ASA in rigid amorphous PVP; and (iv) nanoheterogeneous solid solutions/suspensions containing nanosized ASA clusters dispersed in a semiflexible matrix of PEOx. The obtained structural data confirmed that the type of solid dispersion can be primarily controlled by the chemical constitutions of the applied polymers, while the molecular weight of the polymers had no detectable impact. The molecular structure of the prepared dispersions was characterized using solid-state NMR, wide-angle X-ray scattering (WAXS), and differential scanning calorimetry (DSC). By applying various (1)H-(13)C and (1)H-(1)H correlation experiments combined with T1((1)H) and T1ρ((1)H) relaxation data, the extent of the molecular mixing was determined over a wide range of distances, from intimate intermolecular contacts (0.1-0.5 nm) up to the phase-separated nanodomains reaching ca. 500 nm. Hydrogen-bond interactions between ASA and polymers were probed by the analysis of (13)C and (15)N CP/MAS NMR spectra combined with the measurements of (1)H-(15)N dipolar profiles. Overall potentialities and limitations of individual experimental techniques were thoroughly evaluated.

  11. The Structural Phase Transition in Solid DCN

    Dietrich, O. W.; Mackenzie, Gordon A.; Pawley, G. S.

    1975-01-01

    Neutron scattering measurements on deuterated hydrogen cyanide have shown that the structural phase change from a tetragonal to an orthorhombic form at 160K is a first-order transition. A transverse acoustic phonon mode, which has the symmetry of the phase change, was observed at very low energies...

  12. Leidenfrost phenomenon on conical surfaces

    Hidalgo-Caballero, S.; Escobar-Ortega, Y.; Pacheco-Vázquez, F.

    2016-09-01

    The Leidenfrost state is typically studied by placing droplets on flat or slightly curved surfaces. Here this phenomenon is investigated by depositing water in hot conical bowls. We found that this phase exists even for large amounts of liquid in very narrow cones without considerable effect of the confinement on the Leidenfrost transition temperature TL. At a fixed temperature, T >TL , the total evaporation time τ has a nonmonotonic dependence on the angle of confinement θ : for large volumes (˜20 ml) on flat surfaces (θ ˜0∘ ), vapor chimneys appear and accelerate the evaporation rate, their frequency diminishes as θ augments and becomes zero at a certain angle θc, at which τ reaches its maximum value; then, τ decreases again at larger angles because the vapor layer holding up the water becomes thinner due to the increase of hydrostatic pressure and because the geometry facilitates the vapor expulsion along the conical wall. For small volumes (˜1 ml), surface tension mainly determines the drop curvature and the lifetime is practically independent of θ . Different chimney regimes and oscillation patterns were observed and summarized in a phase diagram. Finally, we developed a simple model to decipher the shape adopted by the liquid volume and its evolution as a function of time, and the predictions are in good agreement with the experimental results.

  13. RECIPES FOR BUILDING THE DUAL OF CONIC OPTIMIZATION PROBLEM

    Diah Chaerani

    2010-08-01

    Full Text Available Building the dual of the primal problem of Conic Optimization (CO isa very important step to make the ¯nding optimal solution. In many cases a givenproblem does not have the simple structure of CO problem (i.e., minimizing a linearfunction over an intersection between a±ne space and convex cones but there areseveral conic constraints and sometimes also equality constraints. In this paper wedeal with the question how to form the dual problem in such cases. We discuss theanswer by considering several conic constraints with or without equality constraints.The recipes for building the dual of such cases is formed in standard matrix forms,such that it can be used easily on the numerical experiment. Special attention isgiven to dual development of special classes of CO problems, i.e., conic quadraticand semide¯nite problems. In this paper, we also brie°y present some preliminariestheory on CO as an introduction to the main topic

  14. Structural and dynamic properties of solid state ionics

    Sakuma, T.

    1995-01-01

    The structural and dynamic properties of solid state ionics are reviewed. The low temperature phase transition of the copper halide-chalcogen compounds by specific heat measurements, electrical conductivity measurements and x-ray diffraction measurements are explained. The structures of solid state ionics investigated by the usual x-ray diffraction method and the anomalous x-ray scattering (AXS) measurement are discussed. The expression of the diffuse scattering intensity including the correlations among the thermal displacements of atoms has been given and applied to α-AgI type solid state ionics and lithium sulphate. The presence of low-energy excitations in crystalline copper ion conductors and the superionic conducting glass is investigated by neutron inelastic scattering measurements. The relation between the excitation energy and the mass of the cations is discussed. (author). 141 refs., 21 figs., 7 tabs

  15. Structure and high-piezoelectricity in lead oxide solid solutions

    Noheda, B.

    2002-01-01

    A review of the recent advances in the understanding of piezoelectricity in lead oxide solid solutions is presented, giving special attention to the structural aspects. It has now become clear that the very high electromechanical response in these materials is directly related to the existence of

  16. Office of Naval Research: Solid and Structural Mechanics

    Belytschenko, T.; Murphy, W.P.; Bernitsas, M.M.

    1997-01-01

    The goal of this report is to pursue a new paradigm for basic research in Solid and Structural Mechanics in order to serve the needs of the Navy of the 21st century. The framework for the report was established through meetings of the committee with Navy engineers and Office of Naval Research...

  17. Comparison of Suspended Solid Separation in Advanced Storm Overflow Structures

    Larsen, Torben; Sørensen, Morten Steen

    1990-01-01

    This paper describes a laboratory investigation of the separation of suspended solids in a circular weir overflow and a vortex separator. The basic idea is to evaluate the efficiency of a vortical flow in the overflow chamber, and to compare these results with other overflow structures....

  18. Quantitative vs. qualitative approaches to the electronic structure of solids

    Oliva, J.M.; Llunell, Miquel; Alemany, Pere; Canadell, Enric

    2003-01-01

    The usefulness of qualitative and quantitative theoretical approaches in solid state chemistry is discussed by considering three different types of problems: (a) the distribution of boron and carbon atoms in MB 2 C 2 (M=Ca, La, etc.) phases, (b) the band structure and Fermi surface of low-dimensional transition metal oxides and bronzes, and (c) the correlation between the crystal and electronic structure of the ternary nitride Ca 2 AuN

  19. DEVELOPMENT OF STRUCTURES FROM SOLID WOOD FOR OBJECTS OF INFRASTRUCTURE

    Konstantin P. Pyatikrestovsky; Vladimir I. Travush; Alexander A. Pogoreltsev; Alexander A. Klyukin

    2018-01-01

    New prefabricated lightweight structures made of solid wood with connections for joining and building metal screws for wood are proposed. Manufacture and assembly of basic elements-bars with a cross-section of 15x15 cm can be carried out in line conditions on the simplest woodworking equipment. The use of local tim-ber material has a number of advantages (ecological, economic and operational). The description of structures with manufacturing process, examples of buildings with vaulted and hip...

  20. Direct observation of ionic structure at solid-liquid interfaces

    Siretanu, Igor; Ebeling, Daniel; Andersson, Martin Peter

    2014-01-01

    The distribution of ions and charge at solid-water interfaces plays an essential role in a wide range of processes in biology, geology and technology. While theoretical models of the solid-electrolyte interface date back to the early 20th century, a detailed picture of the structure of the electric...... double layer has remained elusive, largely because of experimental techniques have not allowed direct observation of the behaviour of ions, i.e. with subnanometer resolution. We have made use of recent advances in high-resolution Atomic Force Microscopy to reveal, with atomic level precision, the ordered...

  1. Soft tissue modelling with conical springs.

    Omar, Nadzeri; Zhong, Yongmin; Jazar, Reza N; Subic, Aleksandar; Smith, Julian; Shirinzadeh, Bijan

    2015-01-01

    This paper presents a new method for real-time modelling soft tissue deformation. It improves the traditional mass-spring model with conical springs to deal with nonlinear mechanical behaviours of soft tissues. A conical spring model is developed to predict soft tissue deformation with reference to deformation patterns. The model parameters are formulated according to tissue deformation patterns and the nonlinear behaviours of soft tissues are modelled with the stiffness variation of conical spring. Experimental results show that the proposed method can describe different tissue deformation patterns using one single equation and also exhibit the typical mechanical behaviours of soft tissues.

  2. Change of Pressing Chamber Conicalness at Briquetting Process in Briquetting Machine Pressing Chamber

    Peter Križan

    2012-01-01

    Full Text Available In this paper, we will present the impact of the conical shape of a pressing chamber, an important structural parameter. Besides the known impact of the technological parameters of pressing chambers, it is also very important to pay attention to their structural parameters. In the introduction, we present a theoretical analysis of pressing chamber conicalness. An experiment aimed at detecting this impact was performed at our institute, and it showed that increasing the conicalness of a pressing chamber improves the quality of the final briquettes. The conicalness of the pressing chamber has a significanteffect on the final briquette quality and on the construction of briquetting machines. The experimental findings presented here show the importance of this parameter in the briquetting process.

  3. Some issues for blast from a structural reactive material solid

    Zhang, F.

    2018-03-01

    Structural reactive material (SRM) is consolidated from a mixture of micro- or nanometric reactive metals and metal compounds to the mixture theoretical maximum density. An SRM can thus possess a higher energy density, relying on various exothermic reactions, and higher mechanical strength and heat resistance than that of conventional CHNO explosives. Progress in SRM solid studies is reviewed specifically as an energy source for air blast through the reaction of fine SRM fragments under explosive loading. This includes a baseline SRM solid explosion characterization, material properties of an SRM solid, and its dynamic fine fragmentation mechanisms and fragment reaction mechanisms. The overview is portrayed mainly from the author's own experimental studies combined with theoretical and numerical explanation. These advances have laid down some fundamentals for the next stage of developments.

  4. Radially polarized conical beam from an embedded etched fiber.

    Kalaidji, Djamel; Spajer, Michel; Marthouret, Nadège; Grosjean, Thierry

    2009-06-15

    We propose a method for producing a conical beam based on the lateral refraction of the TM(01) mode from a two-mode fiber after chemical etching of the cladding, and for controlling its radial polarization. The whole power of the guided mode is transferred to the refracted beam with low diffraction. Polarization control by a series of azimuthal detectors and a stress controller affords the transmission of a stabilized radial polarization through an optical fiber. A solid component usable for many applications has been obtained.

  5. Handbook on semidefinite, conic and polynomial optimization

    Anjos, Miguel F

    2012-01-01

    This book offers the reader a snapshot of the state-of-the-art in the growing and mutually enriching areas of semidefinite optimization, conic optimization and polynomial optimization. It covers theory, algorithms, software and applications.

  6. Controlling nanowire emission profile using conical taper

    Gregersen, Niels; Nielsen, Torben Roland; Mørk, Jesper

    2008-01-01

    The influence of a conical taper on nanowire light emission is studied. For nanowires with divergent output beams, the introduction of tapers improves the emission profile and increase the collection efficiency of the detection optics....

  7. Structure of solid H2-D2 mixtures

    Krupskij, I.N.; Kovalenko, S.I.; Krajnyukova, N.V.

    1978-01-01

    The structure of vapor deposited H 2 -D 2 solid mixtures is investigated. The electron-diffraction examination has been carried out in the temperature range from 2.3K up to the sample sublimation temperature, taking place in case of H 2 at T approximately 5K and D 2 -at T approximately 7K. On the basis of the difractogramm obtained it is shown that in solid films of pure components a FCC structure with parameters asub(Hsub(2))=5.310+-0.01A and asub(Osub(2))=5.100+-0.005A is realized, the structure being metastable in the temperature range. The existence of non-limitted solubility in solid two-component condensates is stated. The decay absence at T approximately 5K, when molecula mobility is enough for the transition of metastable FCC structure into HCP, is in good agreement with the results of experimental and theoretical estimations, according to which the decay critical temperature should not exceed 4K. The existance of the continuous series of solutions at lower temperatures is explained by a small coefficient value of a volumetric and surface diffusion of molecula as well

  8. Covered by lines and Conic connected varieties

    Alex Massarenti

    2011-12-01

    Full Text Available We study some properties of an embedded variety covered by lines and give a numerical criterion ensuring the existence of a singular conic through two of its general points. We show that our criterion is sharp. Conic-connected, covered by lines, QEL, LQEL, prime Fano, defective, and dual defective varieties are closely related. We study some relations between the above mentioned classes of objects using basic results by Ein and Zak.

  9. Watching Electrons at Conical Intersections and Funnels

    Jonas, David M.; Smith, Eric R.; Peters, William K.; Kitney, Katherine A.

    2009-06-01

    The electronic motion at conical intersections and funnels is probed after polarized excitation of aligned electronic wavepackets. The pulses have bandwidth sufficient to observe vibrations mainly through their effect on the electrons. Vibrational symmetry can be identified by the polarization anisotropy of vibrational quantum beats. The polarized transients show signatures of electronic wavepacket motion (due to the energy gaps) and of electron transfer between orbitals (due to the couplings) driven by the conical intersection. For a conical intersection in a four-fold symmetric symmetry silicon naphthalocyanine molecule, electronic motions on a 100 fs timescale are driven by couplings of 1 meV. In the lower symmetry free-base naphthalocyanine, the conical intersection may be missed or missing (conical funnel), and the motions are nearly as rapid, but electronic equilibration is incomplete for red-edge excitation. These experiments probe non-adiabatic electronic dynamics with near-zero nuclear momentum - the electronic motions are determined by the principal slopes of the conical intersection and the width of the vibrational wavepacket.

  10. Electronic structure and optical properties of solid C60

    Mattesini, M.; Ahuja, R.; Sa, L.; Hugosson, H.W.; Johansson, B.; Eriksson, O.

    2009-01-01

    The electronic structure and the optical properties of face-centered-cubic C 60 have been investigated by using an all-electron full-potential method. Our ab initio results show that the imaginary dielectric function for high-energy values looks very similar to that of graphite, revealing close electronic structure similarities between the two systems. We have also identified the origin of different peaks in the dielectric function of fullerene by means of the calculated electronic density of states. The computed optical spectrum compares fairly well with the available experimental data for the Vis-UV absorption spectrum of solid C 60 .

  11. Skin regeneration with conical and hair follicle structure of deep second-degree scalding injuries via combined expression of the EPO receptor and beta common receptor by local subcutaneous injection of nanosized rhEPO

    Ebert S

    2012-03-01

    analyzed with respect to grade of re-epithelialization (wound closure and stage of epidermal maturation. This was investigated using different histological parameters of epithelial covering, such as depth of the epidermal layer, epidermal stratification, and presence of conical and hair follicle structures.Results: Expression of EPOR, βCR, and growth hormone receptor at the mRNA and protein levels was demonstrated with reverse transcriptase polymerase chain reaction and Western blot analysis. After rhEPO treatment, the rate of re-epithelialization of the scalding injury was increased and the time to final wound closure was reduced. In addition, the quality of regenerated skin was improved. In this investigation, for the first time, we demonstrated coexpression of EPOR and βCR at the RNA and protein levels in vivo using a deep second-degree scalding injury mouse model. These results highlight the potential role of rhEPO in the improved treatment of burns patients, which might be crucial for the development of innovative new therapy regimes.Conclusion: Local injection of nanosized rhEPO directly to the injury site rather than systemic administration for deep second-degree scalding injuries achieved complete skin regeneration with conical and hair follicle structure via combined expression of EPOR and βCR.Keywords: burns, nanosize, common β subunit, erythropoietin, receptor, local injection

  12. Structure Formation Mechanisms during Solid Ti with Molten Al Interaction

    Gurevich, L; Pronichev, D; Trunov, M

    2016-01-01

    The study discuses advantages and disadvantages of previously proposed mechanisms of the formation of structure between solid Ti and molten Al and presents a new mechanism based on the reviewed and experimental data. The previously proposed mechanisms were classified into three groups: mechanisms of precipitation, mechanisms of destruction and mechanisms of chemical interaction between intermetallics and melt. The reviewed mechanisms did not explain the formation of heterogeneous interlayer with globular aluminide particles and thin layers of pure Al, while the present study reveals variation in the solid Ti/molten Al reaction kinetics during various phases of laminated metal-intermetallic composite formation. The proposed mechanism considers formed during composite fabrication thin oxide interlayers between Ti and Al evolution and its impact on the intermetallic compound formation and explains the initial slow rate of intermetallic interlayer formation and its subsequent acceleration when the oxide foils are ruptured. (paper)

  13. Ultrafast X-Ray Spectroscopy of Conical Intersections

    Neville, Simon P.; Chergui, Majed; Stolow, Albert; Schuurman, Michael S.

    2018-06-01

    Ongoing developments in ultrafast x-ray sources offer powerful new means of probing the complex nonadiabatically coupled structural and electronic dynamics of photoexcited molecules. These non-Born-Oppenheimer effects are governed by general electronic degeneracies termed conical intersections, which play a key role, analogous to that of a transition state, in the electronic-nuclear dynamics of excited molecules. Using high-level ab initio quantum dynamics simulations, we studied time-resolved x-ray absorption (TRXAS) and photoelectron spectroscopy (TRXPS) of the prototypical unsaturated organic chromophore, ethylene, following excitation to its S2(π π*) state. The TRXAS, in particular, is highly sensitive to all aspects of the ensuing dynamics. These x-ray spectroscopies provide a clear signature of the wave packet dynamics near conical intersections, related to charge localization effects driven by the nuclear dynamics. Given the ubiquity of charge localization in excited state dynamics, we believe that ultrafast x-ray spectroscopies offer a unique and powerful route to the direct observation of dynamics around conical intersections.

  14. Adsorbed Polymer Nanolayers on Solids: Mechanism, Structure and Applications

    Sen, Mani Kuntal

    In this thesis, by combining various advanced x-ray scattering, spectroscopic and other surface sensitive characterization techniques, I report the equilibrium polymer chain conformations, structures, dynamics and properties of polymeric materials at the solid-polymer melt interfaces. Following the introduction, in chapter 2, I highlight that the backbone chains (constituted of CH and CH2 groups) of the flattened polystyrene (PS) chains preferentially orient normal to the weakly interactive substrate surface via thermal annealing regardless of the initial chain conformations, while the orientation of the phenyl rings becomes randomized, thereby increasing the number of surface-segmental contacts (i.e., enthalpic gain) which is the driving force for the flattening process of the polymer chains even onto a weakly interactive solid. In chapter 3, I elucidate the flattened structures in block copolymer (BCP) thin films where both blocks lie flat on the substrate, forming a 2D randomly phase-separated structure irrespective of their microdomain structures and interfacial energetics. In chapter 4, I reveal the presence of an irreversibly adsorbed BCP layer which showed suppressed dynamics even at temperatures far above the individual glass transition temperatures of the blocks. Furthermore, this adsorbed BCP layer plays a crucial role in controlling the microdomain orientation in the entire film. In chapter 5, I report a radically new paradigm of designing a polymeric coating layer of a few nanometers thick ("polymer nanolayer") with anti-biofouling properties.

  15. Structure of Partially Premixed Flames and Advanced Solid Propellants

    Branch, Melvyn

    1998-01-01

    The combustion of solid rocket propellants of advanced energetic materials involves a complex process of decomposition and condensed phase reactions in the solid propellant, gaseous flame reactions...

  16. Conical wavefronts in optics and tomography

    Soroko, L.M.

    1990-01-01

    A wide range of techniques in which the information is transferred by conical (nonspherical and nonplanar) wave fronts is considered. This is the first summary of papers published in the field of mesooptics and optical tomography. After the introduction into the new branch of modern optics - mesooptics -the properties of conical wavefronts are treated in detail. Some possible applications of mesooptics in science and technology are considered. The long history of mesooptics treated in the last chapter of this review lecture goes from the early stage of our Universe, gravitational lens, first publications in the last century and up-to-date innovations in optics, mesooptics and optical tomography. 3 refs

  17. Solid oxide fuel cells with bi-layered electrolyte structure

    Zhang, Xinge; Robertson, Mark; Deces-Petit, Cyrille; Xie, Yongsong; Hui, Rob; Qu, Wei; Kesler, Olivera; Maric, Radenka; Ghosh, Dave [Institute for Fuel Cell Innovation, National Research Council Canada, 4250 Wesbrook Mall, Vancouver, B.C. V6T 1W5 (Canada)

    2008-01-10

    In this work, we have developed solid oxide fuel cells with a bi-layered electrolyte of 2 {mu}m SSZ and 4 {mu}m SDC using tape casting, screen printing, and co-firing processes. The cell reached power densities of 0.54 W cm{sup -2} at 650 C and 0.85 W cm{sup -2} at 700 C, with open circuit voltage (OCV) values larger than 1.02 V. The electrical leaking between anode and cathode through an SDC electrolyte has been blocked in the bi-layered electrolyte structure. However, both the electrolyte resistance (R{sub el}) and electrode polarization resistance (R{sub p,a+c}) increased in comparison to cells with single-layered SDC electrolytes. The formation of a solid solution of (Ce, Zr)O{sub 2-x} during sintering process and the flaws in the bi-layered electrolyte structure seem to be the main causes for the increase in the R{sub el} value (0.32 {omega} cm{sup 2}) at 650 C, which is almost one order of magnitude higher than the calculated value. (author)

  18. Solid-solid synthesis and structural phase transition process of SmF3

    Yan, Qi-Cao; Guo, Xing-Min

    2018-04-01

    Mazes of contradictory conclusions have been obtained by previous researches about structural phase transition process of SmF3. In this paper, the single crystals of SmF3 (hexagonal and orthorhombic) were prepared by solid-solid synthesis, which have shown gradual changes in crystal growth modes with the increase temperature and holding time. Furthermore, we propose the phase transition process of in SmF3. Hexagonal symmetry of SmF3 (space group Pnma) was prepared firstly by heating Sm2O3 and NH4HF2 over 40 min at 270 °C. And then orthorhombic symmetry of SmF3 (space group P63mc) was obtained by heating hexagonal symmetry over 10 h at 650 °C. The reaction of SmF3 (hexagonal) = SmF3 (orthorhombic) is extremely sluggish at a low temperature (less than 650 °C), which was seen as a Mixed Grown Region.

  19. DEVELOPMENT OF STRUCTURES FROM SOLID WOOD FOR OBJECTS OF INFRASTRUCTURE

    Konstantin P. Pyatikrestovsky

    2018-03-01

    Full Text Available New prefabricated lightweight structures made of solid wood with connections for joining and building metal screws for wood are proposed. Manufacture and assembly of basic elements-bars with a cross-section of 15x15 cm can be carried out in line conditions on the simplest woodworking equipment. The use of local tim-ber material has a number of advantages (ecological, economic and operational. The description of structures with manufacturing process, examples of buildings with vaulted and hipped roofing, connection arrangement, preparation of experimental samples with the use of new equipment of the National Research Moscow State University of Civil Engineering are given. The method of analysis with allowance for plastic deformations is under consideration. It provides additional economic advantages. The analysis is carried out by the method of integral estimates developed by Prof. V.M. Bondarenko for reinforced concrete structures and adapted to wooden structures by Prof. K.P. Pyatikrestovsky. Special strength criteria are used for the analysis of decks working together with the ribs (in a combined stressed state. It is planned to build buildings for various purposes in the ar-eas of development of the Far North of Russia.

  20. Maturation of Structural Health Management Systems for Solid Rocket Motors

    Quing, Xinlin; Beard, Shawn; Zhang, Chang

    2011-01-01

    Concepts of an autonomous and automated space-compliant diagnostic system were developed for conditioned-based maintenance (CBM) of rocket motors for space exploration vehicles. The diagnostic system will provide real-time information on the integrity of critical structures on launch vehicles, improve their performance, and greatly increase crew safety while decreasing inspection costs. Using the SMART Layer technology as a basis, detailed procedures and calibration techniques for implementation of the diagnostic system were developed. The diagnostic system is a distributed system, which consists of a sensor network, local data loggers, and a host central processor. The system detects external impact to the structure. The major functions of the system include an estimate of impact location, estimate of impact force at impacted location, and estimate of the structure damage at impacted location. This system consists of a large-area sensor network, dedicated multiple local data loggers with signal processing and data analysis software to allow for real-time, in situ monitoring, and longterm tracking of structural integrity of solid rocket motors. Specifically, the system could provide easy installation of large sensor networks, onboard operation under harsh environments and loading, inspection of inaccessible areas without disassembly, detection of impact events and impact damage in real-time, and monitoring of a large area with local data processing to reduce wiring.

  1. Initiation of Gaseous Detonation by Conical Projectiles

    Verreault, Jimmy

    qualitatively well with the experimental results for relatively blunt projectiles (cone half-angle larger than 35°) and low mixture pressures (lower than 100 kPa). The trend of the critical Damköhler number calculated along the projectile cone surface was similar to that of the experimental results for slender cones (cone half-angles lower 35°) and high mixture pressures (higher than 100 kPa). Steady 2D simulations of reacting flows over finite wedges using the method of characteristics with a one-step Arrhenius chemical reaction model reproduced the three regimes observed for direct initiation of a detonation: the subcritical, critical and supercritical regimes. It is shown that in order for a 2D wedge to be equivalent to the problem of blast initiation of a detonation (which is the essence of the Lee-Vasiljev model), the Mach number normal to the oblique shock needs to be greater than 50 and the wedge angle has to be smaller than 30°. Simulations of reacting flows over semi-infinite wedges and cones were validated with CFD results. Excellent agreement was reached between the angle of overdriven oblique detonations obtained from the simulations and those from a polar analysis. For wedge or cone angles equal or lower than the minimum angle for which an oblique detonation is attached (according to the polar analysis), a Chapman-Jouguet oblique detonation was initiated. In the conical configuration, the curvature around the cone axis allowed an oblique detonation to be self-sustained at an angle less than without the curvature effect. At larger activation energies, the initiation process of an oblique detonation wave at the tip of a semi-infinite wedge or cone was identified. Unsteady 2D computational simulations were also conducted and showed the cellular structure of an oblique detonation wave. Instabilities in the form of transverse shock waves along the oblique detonation front arise for large activation energies.

  2. Numerically stable fluid–structure interactions between compressible flow and solid structures

    Grétarsson, Jón Tómas

    2011-04-01

    We propose a novel method to implicitly two-way couple Eulerian compressible flow to volumetric Lagrangian solids. The method works for both deformable and rigid solids and for arbitrary equations of state. The method exploits the formulation of [11] which solves compressible fluid in a semi-implicit manner, solving for the advection part explicitly and then correcting the intermediate state to time tn+1 using an implicit pressure, obtained by solving a modified Poisson system. Similar to previous fluid-structure interaction methods, we apply pressure forces to the solid and enforce a velocity boundary condition on the fluid in order to satisfy a no-slip constraint. Unlike previous methods, however, we apply these coupled interactions implicitly by adding the constraint to the pressure system and combining it with any implicit solid forces in order to obtain a strongly coupled, symmetric indefinite system (similar to [17], which only handles incompressible flow). We also show that, under a few reasonable assumptions, this system can be made symmetric positive-definite by following the methodology of [16]. Because our method handles the fluid-structure interactions implicitly, we avoid introducing any new time step restrictions and obtain stable results even for high density-to-mass ratios, where explicit methods struggle or fail. We exactly conserve momentum and kinetic energy (thermal fluid-structure interactions are not considered) at the fluid-structure interface, and hence naturally handle highly non-linear phenomenon such as shocks, contacts and rarefactions. © 2011 Elsevier Inc.

  3. Structural design considerations for micromachined solid-oxide fuel cells

    Srikar, V. T.; Turner, Kevin T.; Andrew Ie, Tze Yung; Spearing, S. Mark

    Micromachined solid-oxide fuel cells (μSOFCs) are among a class of devices being investigated for portable power generation. Optimization of the performance and reliability of such devices requires robust, scale-dependent, design methodologies. In this first analysis, we consider the structural design of planar, electrolyte-supported, μSOFCs from the viewpoints of electrochemical performance, mechanical stability and reliability, and thermal behavior. The effect of electrolyte thickness on fuel cell performance is evaluated using a simple analytical model. Design diagrams that account explicitly for thermal and intrinsic residual stresses are presented to identify geometries that are resistant to fracture and buckling. Analysis of energy loss due to in-plane heat conduction highlights the importance of efficient thermal isolation in microscale fuel cell design.

  4. Conical : An extended module for computing a numerically satisfactory pair of solutions of the differential equation for conical functions

    T.M. Dunster (Mark); A. Gil (Amparo); J. Segura (Javier); N.M. Temme (Nico)

    2017-01-01

    textabstractConical functions appear in a large number of applications in physics and engineering. In this paper we describe an extension of our module Conical (Gil et al., 2012) for the computation of conical functions. Specifically, the module includes now a routine for computing the function

  5. Black hole thermodynamics with conical defects

    Appels, Michael [Centre for Particle Theory, Durham University,South Road, Durham, DH1 3LE (United Kingdom); Gregory, Ruth [Centre for Particle Theory, Durham University,South Road, Durham, DH1 3LE (United Kingdom); Perimeter Institute,31 Caroline Street North, Waterloo, ON, N2L 2Y5 (Canada); Kubiznák, David [Perimeter Institute,31 Caroline Street North, Waterloo, ON, N2L 2Y5 (Canada)

    2017-05-22

    Recently we have shown https://www.doi.org/10.1103/PhysRevLett.117.131303 how to formulate a thermodynamic first law for a single (charged) accelerated black hole in AdS space by fixing the conical deficit angles present in the spacetime. Here we show how to generalise this result, formulating thermodynamics for black holes with varying conical deficits. We derive a new potential for the varying tension defects: the thermodynamic length, both for accelerating and static black holes. We discuss possible physical processes in which the tension of a string ending on a black hole might vary, and also map out the thermodynamic phase space of accelerating black holes and explore their critical phenomena.

  6. "Conical Hut": A Basic Form of House Types in Timor Island

    Chen, Y. R.; Lim, Y. L.; Wang, M. H.; Chen, C. Y.

    2015-08-01

    Timor Island situates in the southeast end of Southeast Asia. The island accommodates many ethnic groups, which produce many diverse house types. As visiting East Timor in 2012 and Timor Island in 2014, we found the "Pair- House Type" widely spread over Timor Island. Uma Lulik (holy house), accommodating the ancestry soul, fireplace and elder's bed, and Uma Tidor (house for sleep), containing living, sleeping and working space, compose the pair-house. The research team visited 14 ethnic groups and their houses, some of which were measured and drawn into 3D models as back to Taiwan. Uma Tidors of each ethnic group are quite similar with rectangular volume and hip roof, however, one of the fourteen ethnic groups can build cylinder houses for Uma Tidor. Uma Luliks of different ethnic groups are diversified and special. One group of the Uma Luliks shows a rectangular or square volume sheltered by a hip roof. The other group of Uma Luliks presents a non-specific volume under a conical roof, that we called the "conical hut". Seven ethnic groups, Atoni, Weimua, Makassae, Mambai, Bunaq, Kemak and Bekais, have built "conical huts" for the use of Uma Lulik. People of the seven ethnic groups can construct a reasonable structural system to support the conical roof, and take good advantage of the space under the conical roof to meet their sacred needs and everyday life. "Conical Hut" may be regarded as the basic form of the house types adopted by the seven ethnic groups. It contains the basic spatial limits and the formal properties that the construction systems have to follow. Based on the concise rules of the basic form, people of each ethnic group use their talents, skills and building materials to generate variations of "conical hut", which are different in house scale, spatial layout, construction system and form. The "conical huts" contain the consistency that all the huts come from the basic form, meanwhile, they also present the diversification that each conical hut has

  7. "Conical Hut": A Basic Form of House Types in Timor Island

    Y. R. Chen

    2015-08-01

    Full Text Available Timor Island situates in the southeast end of Southeast Asia. The island accommodates many ethnic groups, which produce many diverse house types. As visiting East Timor in 2012 and Timor Island in 2014, we found the “Pair- House Type” widely spread over Timor Island. Uma Lulik (holy house, accommodating the ancestry soul, fireplace and elder’s bed, and Uma Tidor (house for sleep, containing living, sleeping and working space, compose the pair-house. The research team visited 14 ethnic groups and their houses, some of which were measured and drawn into 3D models as back to Taiwan. Uma Tidors of each ethnic group are quite similar with rectangular volume and hip roof, however, one of the fourteen ethnic groups can build cylinder houses for Uma Tidor. Uma Luliks of different ethnic groups are diversified and special. One group of the Uma Luliks shows a rectangular or square volume sheltered by a hip roof. The other group of Uma Luliks presents a non-specific volume under a conical roof, that we called the “conical hut”. Seven ethnic groups, Atoni, Weimua, Makassae, Mambai, Bunaq, Kemak and Bekais, have built “conical huts” for the use of Uma Lulik. People of the seven ethnic groups can construct a reasonable structural system to support the conical roof, and take good advantage of the space under the conical roof to meet their sacred needs and everyday life. “Conical Hut” may be regarded as the basic form of the house types adopted by the seven ethnic groups. It contains the basic spatial limits and the formal properties that the construction systems have to follow. Based on the concise rules of the basic form, people of each ethnic group use their talents, skills and building materials to generate variations of “conical hut”, which are different in house scale, spatial layout, construction system and form. The “conical huts” contain the consistency that all the huts come from the basic form, meanwhile, they also present

  8. Separation and extension of cover inequalities for second-order conic knapsack constraints with GUBs

    Atamtürk, Alper; Muller, Laurent Flindt; Pisinger, David

    We consider the second-order conic equivalent of the classic knapsack polytope where the variables are subject to generalized upper bound constraints. We describe and compare a number of separation and extension algorithms which make use of the extra structure implied by the generalized upper bound...... constraints in order to strengthen the second-order conic equivalent of the classic cover cuts. We show that determining whether a cover can be extended with a variable is NP-hard. Computational experiments are performed comparing the proposed separation and extension algorithms. These experiments show...

  9. Soft Computing Technique and Conventional Controller for Conical Tank Level Control

    Sudharsana Vijayan

    2016-03-01

    Full Text Available In many process industries the control of liquid level is mandatory. But the control of nonlinear process is difficult. Many process industries use conical tanks because of its non linear shape contributes better drainage for solid mixtures, slurries and viscous liquids. So, control of conical tank level is a challenging task due to its non-linearity and continually varying cross-section. This is due to relationship between controlled variable level and manipulated variable flow rate, which has a square root relationship. The main objective is to execute the suitable controller for conical tank system to maintain the desired level. System identification of the non-linear process is done using black box modelling and found to be first order plus dead time (FOPDT model. In this paper it is proposed to obtain the mathematical modelling of a conical tank system and to study the system using block diagram after that soft computing technique like fuzzy and conventional controller is also used for the comparison.

  10. Thermo-Structural Response Caused by Structure Gap and Gap Design for Solid Rocket Motor Nozzles

    Lin Sun

    2016-06-01

    Full Text Available The thermo-structural response of solid rocket motor nozzles is widely investigated in the design of modern rockets, and many factors related to the material properties have been considered. However, little work has been done to evaluate the effects of structure gaps on the generation of flame leaks. In this paper, a numerical simulation was performed by the finite element method to study the thermo-structural response of a typical nozzle with consideration of the structure gap. Initial boundary conditions for thermo-structural simulation were defined by a quasi-1D model, and then coupled simulations of different gap size matching modes were conducted. It was found that frictional interface treatment could efficiently reduce the stress level. Based on the defined flame leak criteria, gap size optimization was carried out, and the best gap matching mode was determined for designing the nozzle. Testing experiment indicated that the simulation results from the proposed method agreed well with the experimental results. It is believed that the simulation method is effective for investigating thermo-structural responses, as well as designing proper gaps for solid rocket motor nozzles.

  11. Electronic Structure and Transport in Solids from First Principles

    Mustafa, Jamal Ibrahim

    The focus of this dissertation is the determination of the electronic structure and trans- port properties of solids. We first review some of the theory and computational methodology used in the calculation of electronic structure and materials properties. Throughout the dissertation, we make extensive use of state-of-the-art software packages that implement density functional theory, density functional perturbation theory, and the GW approximation, in addition to specialized methods for interpolating matrix elements for extremely accurate results. The first application of the computational framework introduced is the determination of band offsets in semiconductor heterojunctions using a theory of quantum dipoles at the interface. This method is applied to the case of heterojunction formed between a new metastable phase of silicon, with a rhombohedral structure, and cubic silicon. Next, we introduce a novel method for the construction of localized Wannier functions, which we have named the optimized projection functions method (OPFM). We illustrate the method on a variety of systems and find that it can reliably construct localized Wannier functions with minimal user intervention. We further develop the OPFM to investigate a class of materials called topological insulators, which are insulating in the bulk but have conductive surface states. These properties are a result of a nontrivial topology in their band structure, which has interesting effects on the character of the Wannier functions. In the last sections of the main text, the noble metals are studied in great detail, including their electronic properties and carrier dynamics. In particular, we investigate, the Fermi surface properties of the noble metals, specifically electron-phonon scattering lifetimes, and subsequently the transport properties determined by carriers on the Fermi surface. To achieve this, a novel sampling technique is developed, with wide applicability to transport calculations

  12. Bio-inspired multistructured conical copper wires for highly efficient liquid manipulation.

    Wang, Qianbin; Meng, Qingan; Chen, Ming; Liu, Huan; Jiang, Lei

    2014-09-23

    Animal hairs are typical structured conical fibers ubiquitous in natural system that enable the manipulation of low viscosity liquid in a well-controlled manner, which serves as the fundamental structure in Chinese brush for ink delivery in a controllable manner. Here, drawing inspiration from these structure, we developed a dynamic electrochemical method that enables fabricating the anisotropic multiscale structured conical copper wire (SCCW) with controllable conicity and surface morphology. The as-prepared SCCW exhibits a unique ability for manipulating liquid with significantly high efficiency, and over 428 times greater than its own volume of liquid could be therefore operated. We propose that the boundary condition of the dynamic liquid balance behavior on conical fibers, namely, steady holding of liquid droplet at the tip region of the SCCW, makes it an excellent fibrous medium to manipulate liquid. Moreover, we demonstrate that the titling angle of the SCCW can also affect its efficiency of liquid manipulation by virtue of its mechanical rigidity, which is hardly realized by flexible natural hairs. We envision that the bio-inspired SCCW could give inspiration in designing materials and devices to manipulate liquid in a more controllable way and with high efficiency.

  13. Solid state synthesis and structural refinement of polycrystalline ...

    Unknown

    This makes them a potential material for nuclear waste management in synthetic ... solid solution of lanthanum substituted calcium titanate. The SEM and EDAX .... symmetry operations to complete the coverage (figure 3). The plots are square ...

  14. Time resolution measurements with an improved discriminator and conical scintillators

    McGervey, J.D.; Vogel, J.; Sen, P.; Knox, C.

    1977-01-01

    A new constant fraction discriminator with improved stability and walk characteristics is described. The discriminator was used with RCA C31024 photomultiplier tubes to test scintillators of conical and cylindrical shapes. Conical scintillators of 2.54 cm base diameter, 1.0 cm top diameter, and 2.54 cm height gave a fwhm of 155 ps for 60 Co gamma rays; larger conical scintillators gave an improvement of 10-15% in fwhm over cylindrical scintillators of equal volume. (Auth.)

  15. Conical Double Frequency Emission by Femtosecond Laser Pulses from DKDP

    Xi-Peng, Zhang; Hong-Bing, Jiang; Shan-Chun, Tang; Qi-Huang, Gong

    2009-01-01

    Conical double frequency emission is investigated by femtosecond laser pulses at a wavelength of 800 nm in a DKDP crystal. It is demonstrated that the sum frequency of incident wave and its scattering wave accounts for the conical double frequency emission. The gaps on the conical rings are observed and they are very sensitive to the propagation direction, and thus could be used to detect the small angle deviation of surface direction. (fundamental areas of phenomenology (including applications))

  16. Dynamic analysis of structures with solid-fluid interaction

    Nahavandi, A.N.; Pedrido, R.R.; Cloud, R.L.

    1977-01-01

    This study develops a finite element model for interaction between an elastic solid and fluid medium (flow-induced vibrations in nuclear reactor components). Plane triangular finite elements have been used separately for fluid, solid, and solid-fluid continuua and the equivalent mass, damping, and stiffness matrices and interaction load arrays for all elements are derived and assembled into global matrices. The global matrix differential equation of motion developed is solved in time to obtain the pressure and velocity distributions in the fluid, as well as the displacements in the solid. Two independent computer programs are used to obtain the dynamic solution. The first program is a finite element program developed for solid-fluid interaction studies. This program uses the modal superposition technique in which the eigenvalues and eigenvectors for the system are found and used to uncouple the equations. This approach allows an analytic solution in each integration time step. The second program is WECAN finite element program in which a new element library subroutine for solid-fluid interaction was incorporated. This program can employ a NASTRAN direct integration scheme based on a central difference formula for the acceleration and velocity terms and an implicit representation of the displacement term. This reduces the problem to a matrix equation whose right hand side is updated in every time step and is solved by a variation of the Gaussian elimination method known as the wave front technique. Results have been obtained for the case of water, between two flat elastic parallel plates, initially at rest and accelerated suddenly by applying a step pressure. The results obtained from the above-mentioned two independent finite element programs are in full agreement. This verification provides the confidence needed to initiate parametric studies. Both rigid wall (no solid-fluid interaction) and flexible wall (including solid-fluid interaction) cases were examined

  17. Conical Refraction: new observations and a dual cone model.

    Sokolovskii, G S; Carnegie, D J; Kalkandjiev, T K; Rafailov, E U

    2013-05-06

    We propose a paraxial dual-cone model of conical refraction involving the interference of two cones of light behind the exit face of the crystal. The supporting experiment is based on beam selecting elements breaking down the conically refracted beam into two separate hollow cones which are symmetrical with one another. The shape of these cones of light is a product of a 'competition' between the divergence caused by the conical refraction and the convergence due to the focusing by the lens. The developed mathematical description of the conical refraction demonstrates an excellent agreement with experiment.

  18. Switching Exciton Pulses Through Conical Intersections

    Leonhardt, K.; Wüster, S.; Rost, J. M.

    2014-11-01

    Exciton pulses transport excitation and entanglement adiabatically through Rydberg aggregates, assemblies of highly excited light atoms, which are set into directed motion by resonant dipole-dipole interaction. Here, we demonstrate the coherent splitting of such pulses as well as the spatial segregation of electronic excitation and atomic motion. Both mechanisms exploit local nonadiabatic effects at a conical intersection, turning them from a decoherence source into an asset. The intersection provides a sensitive knob controlling the propagation direction and coherence properties of exciton pulses. The fundamental ideas discussed here have general implications for excitons on a dynamic network.

  19. Conical differentiability for evolution variational inequalities

    Jarušek, Jiří; Krbec, Miroslav; Rao, Murali; Sokołowski, Jan

    The conical differentiability of solutions to the parabolic variational inequality with respect to the right-hand side is proved in the paper. From one side the result is based on the Lipschitz continuity in H {1}/{2},1 (Q) of solutions to the variational inequality with respect to the right-hand side. On the other side, in view of the polyhedricity of the convex cone K={v∈ H;v |Σ c⩾0,v |Σ d=0}, we prove new results on sensitivity analysis of parabolic variational inequalities. Therefore, we have a positive answer to the question raised by Fulbert Mignot (J. Funct. Anal. 22 (1976) 25-32).

  20. Conic coconuts : the pricing of contingent capital notes using conic finance

    Madan, D.B.; Schoutens, W.

    2010-01-01

    In this paper we introduce a fundamental model under which we will price contingent capital notes using conic finance techniques. The model is based on more realistic balance-sheet models recognizing the fact that asset and liabilities are both risky and have been treated differently taking into

  1. Structural diversity of solid dispersions of acetylsalicylic acid as seen by solid-state NMR

    Policianová, Olivia; Brus, Jiří; Hrubý, Martin; Urbanová, Martina; Zhigunov, Alexander; Kredatusová, Jana; Kobera, Libor

    2014-01-01

    Roč. 11, č. 2 (2014), s. 516-530 ISSN 1543-8384 R&D Projects: GA ČR GPP106/11/P426 Institutional support: RVO:61389013 Keywords : solid dispersions * acetylsalicylic acid * polymers Subject RIV: FR - Pharmacology ; Medidal Chemistry Impact factor: 4.384, year: 2014

  2. Thermal design of AOTV heatshields for a conical drag brake

    Pitts, W. C.; Murbach, M. S.

    1985-01-01

    Results are presented from an on-going study of the thermal performance of thermal protection systems for a conical drag brake type AOTV. Three types of heatshield are considered: rigid ceramic insulation, flexible ceramic blankets, and ceramic cloths. The results for the rigid insulation apply to other types of AOTV as well. Charts are presented in parametric form so that they may be applied to a variety of missions and vehicle configurations. The parameters considered include: braking maneuver heat flux and total heat load, heatshield material and thickness, heatshield thermal mass and conductivity, absorptivity and emissivity of surfaces, thermal mass of support structure, and radiation transmission through thin heatshields. Results of temperature calculations presented show trends with and sensitivities to these parameters. The emphasis is on providing information that will be useful in estimating the minimum required mass of these heatshield materials.

  3. Chemical structure and radiation stability of solid crystalline antibiotics: thiamphenicol and chloramphenicol

    Varshney, Lalit; Soe Nwe

    1997-01-01

    Antibiotics in solid state show significant radiation resistance and some of them are exposed to gamma or electron beam irradiation for sterilization. Even small radiation degradation in solid state antibiotics is not desirable. Two antibiotics namely thiamphenicol (TPL) and chloramphenicol (CPL) having similar chemical and solid state structure were irradiated at different graded radiation doses to study their stability. Differential scanning calorimetry (DSC) was used to evaluate purity, entropy of radiation processing, heat of fusion and melting point. (author). 3 refs., 1 tab

  4. High-latitude Conic Current Sheets in the Solar Wind

    Khabarova, Olga V.; Obridko, Vladimir N.; Kharshiladze, Alexander F. [Pushkov Institute of Terrestrial Magnetism, Ionosphere and Radio Wave Propagation of the Russian Academy of Sciences (IZMIRAN), Moscow (Russian Federation); Malova, Helmi V. [Scobeltsyn Nuclear Physics Institute of Lomonosov Moscow State University, Moscow (Russian Federation); Kislov, Roman A.; Zelenyi, Lev M. [Space Research Centre of the Polish Academy of Sciences (CBK PAN), Warsaw (Poland); Tokumaru, Munetoshi; Fujiki, Ken’ichi [Institute for Space-Earth Environmental Research, Nagoya University (Japan); Sokół, Justyna M.; Grzedzielski, Stan [Space Research Centre of the Polish Academy of Sciences (CBK), Warsaw (Poland)

    2017-02-10

    We provide observational evidence for the existence of large-scale cylindrical (or conic-like) current sheets (CCSs) at high heliolatitudes. Long-lived CCSs were detected by Ulysses during its passages over the South Solar Pole in 1994 and 2007. The characteristic scale of these tornado-like structures is several times less than a typical width of coronal holes within which the CCSs are observed. CCS crossings are characterized by a dramatic decrease in the solar wind speed and plasma beta typical for predicted profiles of CCSs. Ulysses crossed the same CCS at different heliolatitudes at 2–3 au several times in 1994, as the CCS was declined from the rotation axis and corotated with the Sun. In 2007, a CCS was detected directly over the South Pole, and its structure was strongly highlighted by the interaction with comet McNaught. Restorations of solar coronal magnetic field lines reveal the occurrence of conic-like magnetic separators over the solar poles in both 1994 and 2007. Such separators exist only during solar minima. Interplanetary scintillation data analysis confirms the presence of long-lived low-speed regions surrounded by the typical polar high-speed solar wind in solar minima. Energetic particle flux enhancements up to several MeV/ nuc are observed at edges of the CCSs. We built simple MHD models of a CCS to illustrate its key features. The CCSs may be formed as a result of nonaxiality of the solar rotation axis and magnetic axis, as predicted by the Fisk–Parker hybrid heliospheric magnetic field model in the modification of Burger and coworkers.

  5. Structural changes of organic solids caused by irradiation: raman study at very low temperatures

    Hase, Hirotomo; Ishioka, Kunie; Miyatake, Yoko.

    1995-01-01

    In this paper we first describe a simple liquid helium cryostat and a device of making and mounting organic solid samples. We then present the Raman spectra for irradiated ethanol crystal that were obtained by using the new cryostat and demonstrate how the Raman method is useful for getting insight into structural changes of organic solids caused by irradiation. (J.P.N.)

  6. Crystal chemical analysis of formation of solid solutions on the basis of compounds with garnet structure

    Kuz'micheva, G.M.; Kozlikin, S.N.

    1989-01-01

    Crystal chemical formulas permitting to evaluate the character of changes in interatomic distances during isomorphous substitution and, hence, the probability of formation of internal solid solutions and successive isomorphous substitution, are presented. The possibility of formation of introduction solid solutions is considered, using as an example Sc, Y oxides, rare earths with garnet structure

  7. Internal Structure Quality Control of Solid Pharmaceuticals. A Comparative Study

    Imre Silvia

    2016-03-01

    Full Text Available Objective: The aim of the study was a comparative investigation by spectral and thermal analysis in order to asses a number of characteristics of different varieties ofrawmaterials of ursodeoxycholic acid and ibuprofen. The different dissolution behavior of two ursodeoxycholic acid pharmaceutical product by crystallinity pattern was investigated. Methods: Raw materials of ursodeoxycholic acid and ibuprofen were used. IR spectroscopy, differential scanning calorimetry and X-Ray Diffraction Analysis were applied. Results: The results show no crystallinitydifferences for different batches of the tested drugs. No solid solid transition was proved during sample preparation for transmission IR analysis. Conclusions: A combination of two more affordabletests by IR spectrometry and differential scanning calorimetry lead to the same results as X-Ray diffraction analysis for crystallinity similarity assessment of the studied substances. The dissolution differences of test drugs were not related to the polymorphism of the raw materials.

  8. Advanced fusion welding processes, solid state joining and a successful marriage. [production of aerospace structures

    Miller, F. R.

    1972-01-01

    Joining processes for aerospace systems combine fusion welding and solid state joining during production of metal structures. Detailed characteristics of electron beam welding, plasma arc welding, diffusion welding, inertia welding and weldbond processes are discussed.

  9. Quasi-conical centrifugal ion trap

    Golikov, Yu.K.; Solov'ev, K.V.; Grigor'ev, D.V.; Flegontova, E.Yu.

    1999-01-01

    This paper describes a new excellent ion trap that principally differs from the classic hyperbolic one by its action. The action is based on the axisymmetric electrostatic quasi-conical field with the following potential type: F=F 0 [ln r - r 2 /2+z 2 ], where r, z are cylindrical dimensionless coordinates. The radial potential run (f=ln r-r 2 /2), in this case, is exactly presented by the approximation function f a =ar 2 +b/r 2 +c. In addition, there are some ranges of r (for example, 0.6< r<0.35), in which the concurrence accuracy value is above 0.5%. The paper presents the theory of particles dynamics in the centrifugal trap. Basic correlation for resolution ratios and sensitivity values are developed. Recommendations on the centrifugal trap design implementation, including the recording system, are given

  10. Dirac operator on spaces with conical singularities

    Chou, A.W.

    1982-01-01

    The Dirac operator on compact spaces with conical singularities is studied via the separation of variables formula and the functional calculus of the Dirac Laplacian on the cone. A Bochner type vanishing theorem which gives topological obstructions to the existence of non-negative scalar curvature k greater than or equal to 0 in the singular case is proved. An index formula relating the index of the Dirac operator to the A-genus and Eta-invariant similar to that of Atiyah-Patodi-Singer is obtained. In an appendix, manifolds with boundary with non-negative scalar curvature k greater than or equal to 0 are studied, and several new results on constructing complete metrics with k greater than or equal to on them are obtained

  11. Hypervelocity jets from conical hollow-charges

    Velarde, P. M.; Martinez-Val, J. M.; Eliezer, S.; Piera, M.; Guillen, J.; Cobo, M. D.; Ogando, F.; Crisol, A.; Gonzalez, L.; Prieto, J.; Velarde, G.

    1997-01-01

    In this article the formation of jets by means of the implosion of conical targets is analyzed. This implosion might be induced by high intensity lasers or X rays. It is known of experiments with explosive and numeric simulations that the formation of jets depends critically on the aperture of the cone. It is found in these simulations that for a given collapsing speed an angle of the cone exists below which jet doesn't take place. This critical angle grows with the collapsing speed. The numerical simulations seem to indicate that the production of jets is related to the separation of the shock wave that takes place in the collapsing region. We will also analyze the mass and kinetic energy of the jets taken place as a function of the initial opening of the cone

  12. Conically scanning lidar error in complex terrain

    Ferhat Bingöl

    2009-05-01

    Full Text Available Conically scanning lidars assume the flow to be homogeneous in order to deduce the horizontal wind speed. However, in mountainous or complex terrain this assumption is not valid implying a risk that the lidar will derive an erroneous wind speed. The magnitude of this error is measured by collocating a meteorological mast and a lidar at two Greek sites, one hilly and one mountainous. The maximum error for the sites investigated is of the order of 10 %. In order to predict the error for various wind directions the flows at both sites are simulated with the linearized flow model, WAsP Engineering 2.0. The measurement data are compared with the model predictions with good results for the hilly site, but with less success at the mountainous site. This is a deficiency of the flow model, but the methods presented in this paper can be used with any flow model.

  13. Hierarchically structured nanocarbon electrodes for flexible solid lithium batteries

    Wei, Di

    2013-09-01

    The ever increasing demand for storage of electrical energy in portable electronic devices and electric vehicles is driving technological improvements in rechargeable batteries. Lithium (Li) batteries have many advantages over other rechargeable battery technologies, including high specific energy and energy density, operation over a wide range of temperatures (-40 to 70. °C) and a low self-discharge rate, which translates into a long shelf-life (~10 years) [1]. However, upon release of the first generation of rechargeable Li batteries, explosions related to the shorting of the circuit through Li dendrites bridging the anode and cathode were observed. As a result, Li metal batteries today are generally relegated to non-rechargeable primary battery applications, because the dendritic growth of Li is associated with the charging and discharging process. However, there still remain significant advantages in realizing rechargeable secondary batteries based on Li metal anodes because they possess superior electrical conductivity, higher specific energy and lower heat generation due to lower internal resistance. One of the most practical solutions is to use a solid polymer electrolyte to act as a physical barrier against dendrite growth. This may enable the use of Li metal once again in rechargeable secondary batteries [2]. Here we report a flexible and solid Li battery using a polymer electrolyte with a hierarchical and highly porous nanocarbon electrode comprising aligned multiwalled carbon nanotubes (CNTs) and carbon nanohorns (CNHs). Electrodes with high specific surface area are realized through the combination of CNHs with CNTs and provide a significant performance enhancement to the solid Li battery performance. © 2013 Elsevier Ltd.

  14. Non-affine fields in solid-solid transformations: the structure and stability of a product droplet.

    Paul, Arya; Sengupta, Surajit; Rao, Madan

    2014-01-08

    We describe the microstructure, morphology, and dynamics of growth of a droplet of martensite nucleating in a parent austenite during a solid-solid transformation, using a Landau theory written in terms of both conventional affine elastic deformations and non-affine deformations. Non-affineness, φ, serves as a source of strain incompatibility and screens long-ranged elastic interactions. It is produced wherever the local stress exceeds a threshold and anneals diffusively thereafter. Using a variational calculation, we find three types of stable solution (labeled I, II, and III) for the structure of the product droplet, depending on the stress threshold and the scaled mobilities of φ parallel and perpendicular to the parent-product interface. The profile of the non-affine field φ is different in these three solutions: I is characterized by a vanishingly small φ, II admits large values of φ localized in regions of high stress within the parent-product interface, and III is a structure in which φ completely wets the parent-product interface. The width l and size W of the twins follow the relation l is proportional to √W in solution I; this relation does not hold for II or III. We obtain a dynamical phase diagram featuring these solutions, and argue that they represent specific solid-state microstructures.

  15. Conical Stream of the Two-Sided Jets in NGC 4261 over the Range of 103–109 Schwarzschild Radii

    Satomi Nakahara

    2016-12-01

    Full Text Available We report the jet width profile of of the nearby ( ∼ 30 Mpc AGN NGC 4261 for both the approaching jet and the counter jet at radial distances ranging from ∼ 10 3 – 10 9 Schwarzschild radius ( R S from the central engine. Our Very Large Array (VLA and Very Long Baseline Array (VLBA observations reveal that the jets maintain a conical structure on both sides over the range 10 3 – 10 9 R S without any structural transition (i.e., parabolic to conical like in the approaching jet in M87. Thus, NGC 4261 will provide a unique opportunity to examine the conical jet hypothesis in blazars, while it may require some additional consideration on the acceleration and collimation process in AGN jets.

  16. Parallel β-Sheet Structure of Alanine Tetrapeptide in the Solid State As Studied by Solid-State NMR Spectroscopy.

    Asakura, Tetsuo; Horiguchi, Kumiko; Aoki, Akihiro; Tasei, Yugo; Naito, Akira

    2016-09-01

    The structural analysis of alanine oligopeptides is important for understanding the crystalline region in silks from spiders and wild silkworms and also the mechanism of cellular toxicity of human diseases arising from expansion in polyalanine sequences. The atomic-level structures of alanine tripeptide and tetrapeptide with antiparallel β-sheet structures (AP-Ala3 and AP-Ala4, respectively) together with alanine tripeptide with parallel β-sheet structures (P-Ala3) have been determined, but alanine tetrapeptide with a parallel β-sheet structure (P-Ala4) has not been reported yet. In this article, first, we established the preparation protocol of P-Ala4 from more stable AP-Ala4. Second, complete assignments of the (13)C, (15)N, and (1)H solid-state NMR spectra were performed with (13)C- and (15)N-labeled Ala4 samples using several solid-state NMR techniques. Then, the structural constraints were obtained, for example, the amide proton peaks of P-Ala4 in the (1)H double-quantum magic-angle spinning NMR spectrum were heavily overlapped and observed at about 7.4 ppm, which was a much higher field than that of 8.7-9.1 ppm observed for AP-Ala4, indicating that the intermolecular hydrogen-bond lengths across strands (N-H···O═C) were considerably longer for P-Ala4, that is, 2.21-2.34 Å, than those reported for AP-Ala4, that is, 1.8-1.9 Å. The structural model was proposed for P-Ala4 by NMR results and MD calculations.

  17. Solid state synthesis and structural refinement of polycrystalline La ...

    Perovskite structure based ceramic precursors have a characteristic property of substitution in the ``A" site of the ABO3 structure. This makes them a potential material for nuclear waste management in synthetic rock (SYNROC) technology. In order to simulate the mechanism of rare earth fixation in perovskite, La ...

  18. Development of efficient finite elements for structural integrity analysis of solid rocket motor propellant grains

    Marimuthu, R.; Nageswara Rao, B.

    2013-01-01

    Solid propellant rocket motors (SRM) are regularly used in the satellite launch vehicles which consist of mainly three different structural materials viz., solid propellant, liner, and casing materials. It is essential to assess the structural integrity of solid propellant grains under the specified gravity, thermal and pressure loading conditions. For this purpose finite elements developed following the Herrmann formulation are: twenty node brick element (BH20), eight node quadrilateral plane strain element (PH8) and, eight node axi-symmetric solid of revolution element (AH8). The time-dependent nature of the solid propellant grains is taken into account utilizing the direct inverse method of Schepary to specify the effective Young's modulus and Poisson's ratio. The developed elements are tested considering various problems prior to implementation in the in-house software package (viz., Finite Element Analysis of STructures, FEAST). Several SRM configurations are analyzed to assess the structural integrity under different loading conditions. Finite element analysis results are found to be in good agreement with those obtained earlier from MARC software. -- Highlights: • Developed efficient Herrmann elements. • Accuracy of finite elements demonstrated solving several known solution problems. • Time dependent structural response obtained using the direct inverse method of Schepary. • Performed structural analysis of grains under gravity, thermal and pressure loads

  19. Structures of the particles of the condensed dispersed phase in solid fuel combustion products plasma

    Samaryan, A.A.; Chernyshev, A.V.; Nefedov, A.P.; Petrov, O.F.; Fortov, V.E.; Mikhailov, Yu.M.; Mintsev, V.B.

    2000-01-01

    The results of experimental investigations of a type of dusty plasma which has been least studied--the plasma of solid fuel combustion products--were presented. Experiments to determine the parameters of the plasma of the combustion products of synthetic solid fuels with various compositions together with simultaneous diagnostics of the degree of ordering of the structures of the particles of the dispersed condensed phase were performed. The measurements showed that the charge composition of the plasma of the solid fuels combustion products depends strongly on the easily ionized alkali-metal impurities which are always present in synthetic fuel in one or another amount. An ordered arrangement of the particles of a condensed dispersed phase in structures that form in a boundary region between the high-temperature and condensation zones was observed for samples of aluminum-coated solid fuels with a low content of alkali-metal impurities

  20. Crystal-Structure Contribution to the Solid Solubility in Transition Metal Alloys

    Ruban, Andrei; Skriver, Hans Lomholt; Nørskov, Jens Kehlet

    1998-01-01

    The solution energies of 4d metals in other 4d metals as well as the bcc-hcp structural energy differences in random 4d alloys are calculated by density functional theory. It is shown that the crystal structure of the host plays a crucial role in the solid solubility. A local virtual bond...

  1. Determination of structure of oriented samples using two-dimensional solid state NMR techniques

    Jin Hong; Harbison, G.S.

    1990-01-01

    One dimensional and two-dimensional MAS techniques can give detailed information about the structure and dynamics of oriented systems. We describe the application of such techniques to the liquid-crystalline polymer poly(p-phenyleneterphtalimide) (PPTA), and thence deduce the solid-state structure of the material. (author). 9 refs.; 6 figs

  2. Crystal structure and solid-state properties of discrete hexa cationic ...

    Subsequently, weight loss of 33% in two stages from 242 to 691◦C can be assigned to the decomposition of triazole ligands. 3.3 Description of the crystal structure. The solid-state structure of ZnT was unambiguously determined by the single crystal X-ray diffraction tech- nique (figures 2 and 3). Compound ZnT crystallizes in.

  3. Fractal structure formation on the surfaces of solids subjected to high intensity electron and ion treatment

    Altajskij, M.V.; Ivanov, V.V.; Korenev, S.A.; Orelovich, O.L.; Puzynin, I.V.; Chernik, V.V.

    1997-01-01

    We discuss the results of scanning electron microscopy of surfaces of the solids subjected to high intensity electron and ion beam treatment. The appearance of fractal structures on the modified surfaces is shown. The fractal dimensions of these structures were estimated by box-counting algorithm

  4. Submicron hollow spot generation by solid immersion lens and structured illumination

    Kim, M.S.; Assafrao, A.C.; Scharf, T.; Wachters, A.J.H.; Pereira, S.F.; Urbach, H.P.; Brun, M.; Olivier, S.; Nicoletti, S.; Herzig, H.P.

    2012-01-01

    We report on the experimental and numerical demonstration of immersed submicron-size hollow focused spots, generated by structuring the polarization state of an incident light beam impinging on a micro-size solid immersion lens (?-SIL) made of SiO2. Such structured focal spots are characterized by a

  5. Vortex breakdown in a truncated conical bioreactor

    Balci, Adnan; Brøns, Morten [DTU Compute, Technical University of Denmark, DK-2800 Kgs. Lyngby (Denmark); Herrada, Miguel A [E.S.I, Universidad de Sevilla, Camino de los Descubrimientos s/n, E-41092 (Spain); Shtern, Vladimir N, E-mail: mobr@dtu.dk [Shtern Research and Consulting, Houston, TX 77096 (United States)

    2015-12-15

    This numerical study explains the eddy formation and disappearance in a slow steady axisymmetric air–water flow in a vertical truncated conical container, driven by the rotating top disk. Numerous topological metamorphoses occur as the water height, H{sub w}, and the bottom-sidewall angle, α, vary. It is found that the sidewall convergence (divergence) from the top to the bottom stimulates (suppresses) the development of vortex breakdown (VB) in both water and air. At α = 60°, the flow topology changes eighteen times as H{sub w} varies. The changes are due to (a) competing effects of AMF (the air meridional flow) and swirl, which drive meridional motions of opposite directions in water, and (b) feedback of water flow on AMF. For small H{sub w}, the AMF effect dominates. As H{sub w} increases, the swirl effect dominates and causes VB. The water flow feedback produces and modifies air eddies. The results are of fundamental interest and can be relevant for aerial bioreactors. (paper)

  6. Vortex breakdown in a truncated conical bioreactor

    Balci, Adnan; Brøns, Morten; Herrada, Miguel A; Shtern, Vladimir N

    2015-01-01

    This numerical study explains the eddy formation and disappearance in a slow steady axisymmetric air–water flow in a vertical truncated conical container, driven by the rotating top disk. Numerous topological metamorphoses occur as the water height, H w , and the bottom-sidewall angle, α, vary. It is found that the sidewall convergence (divergence) from the top to the bottom stimulates (suppresses) the development of vortex breakdown (VB) in both water and air. At α = 60°, the flow topology changes eighteen times as H w varies. The changes are due to (a) competing effects of AMF (the air meridional flow) and swirl, which drive meridional motions of opposite directions in water, and (b) feedback of water flow on AMF. For small H w , the AMF effect dominates. As H w increases, the swirl effect dominates and causes VB. The water flow feedback produces and modifies air eddies. The results are of fundamental interest and can be relevant for aerial bioreactors. (paper)

  7. DE 1 and Viking observations associated with electron conical distributions

    Menietti, J. D.; Weimer, D. R.; Andre, M.; Eliasson, L.

    1994-01-01

    Data from the electron detectors on board the Swedish Viking satellite launched during a period of low solar activity and from the Dynamic Explorer (DE) 1 satellite launched during active solar coditions have been examined for the occurrence and location of electron conical distributions and several conclusions can be drawn. First, we note that most of the best examples of electron conics observed by the V-3 experiment onboard Viking occurred in the afternoon sector in the range of magneitc local time 14 hours less than Magnetic Local Time (MLT) less than 18 hours, at midaltitudes in the range 10,000 km less than h less than 13,500 km, with few occurring in the nightside auroral region, a region poorly sampled at altitudes greater than 5000 km. For the Viking data there is an association of electron conics with upper hybrid waves. DE 1 observations made by the high-altitude plasma instrument (HAPI) indicate that electron conics were observed in the midmorning sector and the late evening sector, and as has been reported earlier, the correlation with upper hybird waves was good. The HAPI did not sample the afternoon sector. The electon conics observed on both satellites occurred in the presence of at least a modest (several kilovolts) potential difference beneath the satellite with a maximum energy that was usually, but not always, equal to or greater than the maximum energy of the electron conics. Two independent sets of observations by DE 1 suggest two distinct production mechanisms for electron conics. Examiniation of DE 1 electric field measurements from the plasma wave instrument during the observation of electron conics show simultaneous parallel oscillations in the frequency range of 0.2 Hz less than f less than 0.5 Hz during one and perhaps two of four events examined, and upper hybrid waves were observed on all four events. In addition, recent observations of '90-deg' electron conics associated with auroral kilometric radiation source regions suggest a

  8. Communication: Dynamical and structural analyses of solid hydrogen under vapor pressure

    Hyeon-Deuk, Kim, E-mail: kim@kuchem.kyoto-u.ac.jp [Department of Chemistry, Kyoto University, Kyoto 606-8502 (Japan); Japan Science and Technology Agency, PRESTO, 4-1-8 Honcho, Kawaguchi, Saitama 332-0012 (Japan); Ando, Koji [Department of Chemistry, Kyoto University, Kyoto 606-8502 (Japan)

    2015-11-07

    Nuclear quantum effects play a dominant role in determining the phase diagram of H{sub 2}. With a recently developed quantum molecular dynamics simulation method, we examine dynamical and structural characters of solid H{sub 2} under vapor pressure, demonstrating the difference from liquid and high-pressure solid H{sub 2}. While stable hexagonal close-packed lattice structures are reproduced with reasonable lattice phonon frequencies, the most stable adjacent configuration exhibits a zigzag structure, in contrast with the T-shape liquid configuration. The periodic angular distributions of H{sub 2} molecules indicate that molecules are not a completely free rotor in the vapor-pressure solid reflecting asymmetric potentials from surrounding molecules on adjacent lattice sites. Discrete jumps of librational and H–H vibrational frequencies as well as H–H bond length caused by structural rearrangements under vapor pressure effectively discriminate the liquid and solid phases. The obtained dynamical and structural information of the vapor-pressure H{sub 2} solid will be useful in monitoring thermodynamic states of condensed hydrogens.

  9. Multiscale topology optimization of solid and fluid structures

    Andreasen, Casper Schousboe

    This thesis considers the application of the topology optimization method to multiscale problems, specifically the fluid-structure interaction problem. By multiple-scale methods the governing equations, the Navier-Cauchy and the incompressible Navier-Stokes equations are expanded and separated...

  10. Heat transfer behaviors in round tube with conical ring inserts

    Promvonge, P.

    2008-01-01

    To increase convection heat transfer in a uniform heat flux tube by a passive method, several conical rings used as turbulators are mounted over the test tube. The effects of the conical ring turbulator inserts on the heat transfer rate and friction factor are experimentally investigated in the present work. Conical rings with three different diameter ratios of the ring to tube diameter (d/D = 0.5, 0.6, 0.7) are introduced in the tests, and for each ratio, the rings are placed with three different arrangements (converging conical ring, referred to as CR array, diverging conical ring, DR array and converging-diverging conical ring, CDR array). In the experiment, cold air at ambient condition for Reynolds numbers in a range of 6000-26,000 is passed through the uniform heat flux circular tube. It is found that the ring to tube diameter ratio and the ring arrays provide a significant effect on the thermal performance of the test tube. The experimental results demonstrate that the use of conical ring inserts leads to a higher heat transfer rate than that of the plain surface tube, and the DR array yields a better heat transfer than the others. The results are also correlated in the form of Nusselt number as a function of Reynolds number, Prandtl number and diameter ratio. An augmentation of up to 197%, 333%, and 237% in Nusselt number is obtained in the turbulent flow for the CR, DR and CDR arrays, respectively, although the effect of using the conical ring causes a substantial increase in friction factor

  11. Manufacture of conical springs with elastic medium technology improvement

    Kurguzov, S. A.; Mikhailova, U. V.; Kalugina, O. B.

    2018-01-01

    This article considers the manufacturing technology improvement by using an elastic medium in the stamping tool forming space to improve the conical springs performance characteristics and reduce the costs of their production. Estimation technique of disk spring operational properties is developed by mathematical modeling of the compression process during the operation of a spring. A technique for optimizing the design parameters of a conical spring is developed, which ensures a minimum voltage value when operated in the edge of the spring opening.

  12. The need for the solid modelling of structure in the archaeology of buildings

    Robert Daniels

    1997-03-01

    Full Text Available Three-dimensional modelling is an attempt to represent the world in three dimensions, simplifying through deliberate assumptions. In archaeology, this has developed as an extension of the traditional use of three-dimensional drawings to help present and record data. The debate in the archaeological literature over whether surface or solid modellers should be used is one based on the premise that the purpose of three-dimensional modelling is data visualisation. This concentration on perception modelling has been at the expense of research on the modelling of structure. Surface and Solid Modellers are introduced and defined. I argue that developments in modelling software mean that there is no longer a clear distinction between the two types of software along application lines. We should think of models in terms of their applications rather than the software which generates them. Although data visualisation (including virtual reality is an important part of three-dimensional modelling, I argue that it should be explicitly divorced from the related field of photo-realism at a research level. Perception modelling can be performed by surface or solid modellers. Modelling structure is better performed with a solid modeller, if we wish to be as explicit as possible in our modelling. A structural model can be used as a spatial database. If we wish to ask questions about the physical properties of a structure, then we must use solid modellers. In addition to the engineering properties of structures, solid modellers can also be used to answer questions about the economics of construction. For historical reasons, the construction industry has preferred to use surface modellers, but I argue for the advantages of solid modelling in the archaeological study of construction.

  13. Fluid, solid and fluid-structure interaction simulations on patient-based abdominal aortic aneurysm models.

    Kelly, Sinead; O'Rourke, Malachy

    2012-04-01

    This article describes the use of fluid, solid and fluid-structure interaction simulations on three patient-based abdominal aortic aneurysm geometries. All simulations were carried out using OpenFOAM, which uses the finite volume method to solve both fluid and solid equations. Initially a fluid-only simulation was carried out on a single patient-based geometry and results from this simulation were compared with experimental results. There was good qualitative and quantitative agreement between the experimental and numerical results, suggesting that OpenFOAM is capable of predicting the main features of unsteady flow through a complex patient-based abdominal aortic aneurysm geometry. The intraluminal thrombus and arterial wall were then included, and solid stress and fluid-structure interaction simulations were performed on this, and two other patient-based abdominal aortic aneurysm geometries. It was found that the solid stress simulations resulted in an under-estimation of the maximum stress by up to 5.9% when compared with the fluid-structure interaction simulations. In the fluid-structure interaction simulations, flow induced pressure within the aneurysm was found to be up to 4.8% higher than the value of peak systolic pressure imposed in the solid stress simulations, which is likely to be the cause of the variation in the stress results. In comparing the results from the initial fluid-only simulation with results from the fluid-structure interaction simulation on the same patient, it was found that wall shear stress values varied by up to 35% between the two simulation methods. It was concluded that solid stress simulations are adequate to predict the maximum stress in an aneurysm wall, while fluid-structure interaction simulations should be performed if accurate prediction of the fluid wall shear stress is necessary. Therefore, the decision to perform fluid-structure interaction simulations should be based on the particular variables of interest in a given

  14. The spectra of conical bubble sonoluminescence in 1,2-propanediol and glycol

    He Shoujie; Jing Ha; Li Xuechen; Li Qing; Dong Lifang; Wang, Long

    2007-01-01

    A conical bubble straight tube apparatus was set up to study sonoluminescence. The spectra of conical bubble sonoluminescence for 1,2-propanediol and glycol were detected. The results show that the luminescence is intense, and the spectra consist of a broad background on which five clear sequences of Swan bands and three sequences of the B 2 Σ + → X 2 Σ + transition of CN are superimposed. A band assigned to the A 2 Δ → X 2 Π transition of CH was also measured and the vibrational and rotational structures of Swan bands could be resolved. The origin of the C* 2 and C 2 H* is discussed. Finally, the achieved molecular vibrational temperature is estimated to be about 5400 ± 350 K

  15. The Expanding Bipolar Conic Shell of the Symbiotic Star AG Peg

    Lee, Seong-Jae; Hyung, Siek

    2018-06-01

    Symbiotic stars are the most interesting since some systems are believed to host the most massive white dwarf, like SN Ia progenitors. Most recently, Lee and Hyung (2018, LH18) proposed a bipolar conic shell structure for the observed high expansion Hα and Hβ line profiles and other double peak lines observed in 1998 September (phase φ = 10.24): the physical conditions for the white dwarf luminosity and the ionized HII zone, responsible for double Gaussian optical lines including Balmer and Lyman line fluxes, were taken from the P-I model with gas density, nH = 109.85 cm-3 , while the column density for the scattering neutral zone was derived from the broader line components based on the result by Monte Carlo simulations. In this investigation, we examined whether the expanding shells of the bipolar conical geometry as proposed by LH18 would be able to form the other Hα and Hβ line profiles observed in other phases, φ = 11.56 and 11.98 (in 2001 August and 2002 August). We look into the kinematical property of the bipolar conic shell structure responsible for the HII and HI zones and then we discuss the secular variation of the broad line feature and the origin of the bipolar cone, i.e., part of a common envelope formed through the mass inflows from the giant star.

  16. Solid State Structure of Poly(9,9-dinonylfluorene)

    Torkkeli, Mika; Galbrecht, Frank; Scherf, Ullrich

    2015-01-01

    We report on X-ray diffraction and grazing-incidence X-ray diffraction data of poly(9,9-dinonylfluorene) (PF9) in bulk, thin films and in the 1% methylcyclohexane gel. We denote the main crystalline phase as alpha phase and propose that the unit cell is monoclinic (a = 29.31 angstrom, b = 23.......1 angstrom, and c = 16.7 angstrom). Structural analogues to other 9,9-di-n-alkyl-substituted polyfluorenes are discussed in terms of unit cell parameters and backbone geometry....

  17. Neutron scattering techniques for structural studies of amorphous solids

    Wright, A.C.; Yarker, C.A.; Johnson, P.A.V.; Wedgwood, F.A.

    1976-01-01

    Preliminary data are presented for a series of glasses using some of the special features of neutron diffraction. In vitreous K 2 O x TiO 2 x 2SiO 2 each Ti atom is on average surrounded by 5.2 oxygen atoms at a distance of 1.95 A, whereas the structure of V 2 O 5 x TeO 2 is dominated by distorted TeO 6 octahedra. Features in the magnetic correlation function for vitreous O x 79Fe 2 O 3 x P 2 O 5 occur at the Fe,Fe distance found in crystalline FePO 4 . (orig.) [de

  18. Structure and stability of solid Xe(H2)n

    Somayazulu, Maddury; Hemley, Russell J.; Dera, Przemyslaw; Smith, Jesse

    2015-01-01

    Mixtures of xenon and molecular hydrogen form a series of hexagonal, van der Waals compounds at high pressures and at 300 K. Synchrotron, x-ray, single crystal diffraction studies reveal that below 7.5 GPa, Xe(H 2 ) 8 crystallizes in a P3 - m1 structure that displays pressure-induced occupancy changes of two pairs of xenon atoms located on the 2c and 2d sites (while the third pair on yet another 2c site remains fully occupied). The occupancy becomes 1 at the P3 - m1 to R3 transition and all the xenon atoms occupy the 3d sites in the high-pressure structure. These pressure-induced changes in occupancy coincide with volume changes that maintain the average Xe:H 2 stoichiometry fixed at 1:8. The synchrotron x-ray diffraction and Raman measurements show that this unique hydrogen-bearing compound that can be synthesized at 4.2 GPa and 300 K, quenched at low temperatures to atmospheric pressure, and retained up to 90 K on subsequent warming

  19. Robustness of Topological Superconductivity in Solid State Hybrid Structures

    Sitthison, Piyapong

    The non-Abelian statistics of Majorana fermions (MFs) makes them an ideal platform for implementing topological quantum computation. In addition to the fascinating fundamental physics underlying the emergence of MFs, this potential for applications makes the study of these quasiparticles an extremely popular subject in condensed matter physics. The commonly called `Majorana fermions' are zero-energy bound states that emerge near boundaries and defects in topological superconducting phases, which can be engineered, for example, by proximity coupling strong spin-orbit coupling semiconductor nanowires and ordinary s-wave superconductors. The stability of these bound states is determined by the stability of the underlying topological superconducting phase. Hence, understanding their stability (which is critical for quantum computation), involves studying the robustness of the engineered topological superconductors. This work addresses this important problem in the context of two types of hybrid structures that have been proposed for realizing topological superconductivity: topological insulator - superconductor (TI-SC) and semiconductor - superconductor (SM-SC) nanostructures. In both structures, electrostatic effects due to applied external potentials and interface-induced potentials are significant. This work focuses on developing a theoretical framework for understanding these effects, to facilitate the optimization of the nanostructures studied in the laboratory. The approach presented in this thesis is based on describing the low-energy physics of the hybrid structure using effective tight-binding models that explicitly incorporate the proximity effects emerging at interfaces. Generically, as a result of the proximity coupling to the superconductor, an induced gap emerges in the semiconductor (topological insulator) sub-system. The strength of the proximity-induced gap is determined by the transparency of the interface and by the amplitude of the low- energy SM

  20. Modeling and Structural Optimization of Solid Oxide Fuel Cells

    Panagakos, Grigorios

    energy basket of solutions. In this project, consulting role was also undertaken by researchers at National Center for Sustainable Energy, Risø and more specifically by Dr. Martin Søgaard, Dr. Henrik Frandsen and Dr. Peter Vang Hendriksen (team leader). The other approach is based on attacking......, such as the tortuosity and the porosity of the material, for preselected micro-structures. Furthermore, we apply optimization techniques to lead this ASR to minimization. This work has been the fruit of collaboration with Professor Sossina Haile at the California Institute of Technology (Caltech) and with assistant...... Professor Francesco Ciucci at the Hong Kong University of Science and Technology (HKUST). As a complementary in this modeling work, we have also developed other activities, leading to either already accepted, submitted or soon to be submitted publications. These additional to the main focus directions, have...

  1. Perovskite solid electrolytes: Structure, transport properties and fuel cell applications

    Bonanos, N.; Knight, K.S.; Ellis, B.

    1995-01-01

    Doped barium cerate perovskites, first investigated by Iwahara and co-workers, have ionic conductivities of the order of 20 mS/cm at 800 degrees C making them attractive as fuel cell electrolytes for this temperature region. They have been used to construct laboratory scale fuel cells, which...... vapour transfer in a cell in which the perovskite is exposed to wet hydrogen on both sides. The evolution of transport properties with temperature is discussed in relation to structure. Neutron diffraction studies of doped and undoped barium cerate are reported, revealing a series of phase transitions...... between ambient temperature and 1000 degrees C. The available literature on chemical stability of cerate perovskites to reduction and attack by carbon dioxide is reviewed in brief....

  2. Two-particle approach to the electronic structure of solids

    Gonis, A.

    2007-01-01

    Based on an extension of Hubbard's treatment of the electronic structure of correlated electrons in matter we propose a methodology that incorporates the scattering off the Coulomb interaction through the determination of a two-particle propagator. The Green function equations of motion are then used to obtain single-particle Green functions and related properties such as densities of states. The solutions of the equations of motion in two- and single-particle spaces are accomplished through applications of the coherent potential approximation. The formalism is illustrated by means of calculations for a single-band model system representing a linear arrangement of sites with nearest neighbor hopping and an one-site repulsion when two electrons of opposite spin occupy the same site in the lattice in the manner described by the so-called Hubbard Hamiltonian

  3. Structural, morphological, and electrical properties of doped ceria as a solid electrolyte for intermediate-temperature solid oxide fuel cells

    Stojmenović, M.

    2015-03-11

    The solid solutions of CeO2 with one or more rare-earth oxides among Yb2O3, Sm2O3, and Gd2O3 are synthesized by either modified glycine nitrate procedure (MGNP) or self-propagating reaction at room temperature (SPRT). The overall mole fraction of rare-earth oxide dopants was x = 0.2. The characterization was committed by XRPD, TEM, BET, and Raman Spectroscopy methods. According to XRPD and Raman spectroscopy, the obtained products presented the single-phase solid solutions with basic fluorite-type CeO2 structure, regardless on the number and the concentration of dopants. Both XRPD and TEM analysis evidenced the nanometer particle dimensions. The defect model was applied to calculate lattice parameters of single-, co-, and multi-doped solids. The sintering of the sample nanopowders was performed at 1550 °C, in air atmosphere. The sintered samples were characterized by XRPD, SEM, and complex impedance methods. The sintering did not affect the concentration ratios of the constituents. The highest conductivity at 700 °C amounting to 2.14 × 10−2 and 1.92 × 10−2 Ω−1 cm−1 was measured for the sample Ce0.8Sm0.08Gd0.12O2−δ, synthesized by SPRT and MGNP methods, respectively. The corresponding activation energies of conductivity, measured in the temperature range 500–700 °C, amounted to 0.24 and 0.23 eV.

  4. Structural, morphological, and electrical properties of doped ceria as a solid electrolyte for intermediate-temperature solid oxide fuel cells

    Stojmenović, M.; Zunic, Milan; Gulicovski, J.; Bajuk-Bogdanović, D.; Holclajtner-Antunović, I.; Dodevski, V.; Mentus, S.

    2015-01-01

    The solid solutions of CeO2 with one or more rare-earth oxides among Yb2O3, Sm2O3, and Gd2O3 are synthesized by either modified glycine nitrate procedure (MGNP) or self-propagating reaction at room temperature (SPRT). The overall mole fraction of rare-earth oxide dopants was x = 0.2. The characterization was committed by XRPD, TEM, BET, and Raman Spectroscopy methods. According to XRPD and Raman spectroscopy, the obtained products presented the single-phase solid solutions with basic fluorite-type CeO2 structure, regardless on the number and the concentration of dopants. Both XRPD and TEM analysis evidenced the nanometer particle dimensions. The defect model was applied to calculate lattice parameters of single-, co-, and multi-doped solids. The sintering of the sample nanopowders was performed at 1550 °C, in air atmosphere. The sintered samples were characterized by XRPD, SEM, and complex impedance methods. The sintering did not affect the concentration ratios of the constituents. The highest conductivity at 700 °C amounting to 2.14 × 10−2 and 1.92 × 10−2 Ω−1 cm−1 was measured for the sample Ce0.8Sm0.08Gd0.12O2−δ, synthesized by SPRT and MGNP methods, respectively. The corresponding activation energies of conductivity, measured in the temperature range 500–700 °C, amounted to 0.24 and 0.23 eV.

  5. Derivative Geometric Modeling of Basic Rotational Solids on CATIA

    MENG Xiang-bao; PAN Zi-jian; ZHU Yu-xiang; LI Jun

    2011-01-01

    Hybrid models derived from rotational solids like cylinders, cones and spheres were implemented on CATIA software. Firstly, make the isosceles triangular prism, cuboid, cylinder, cone, sphere, and the prism with tangent conic and curved triangle ends, the cuboid with tangent cylindrical and curved rectangle ends, the cylinder with tangent spherical and curved circular ends as the basic Boolean deference units to the primary cylinders, cones and spheres on symmetrical and some critical geometric conditions, forming a series of variant solid models. Secondly, make the deference units above as the basic union units to the main cylinders, cones, and spheres accordingly, forming another set of solid models. Thirdly, make the tangent ends of union units into oblique conic, cylindrical, or with revolved triangular pyramid, quarterly cylinder and annulus ends on sketch based features to the main cylinders, cones, and spheres repeatedly, thus forming still another set of solid models. It is expected that these derivative models be beneficial both in the structure design, hybrid modeling, and finite element analysis of engineering components and in comprehensive training of spatial configuration of engineering graphics.

  6. Isostructural solid-solid phase transition in monolayers of soft core-shell particles at fluid interfaces: structure and mechanics.

    Rey, Marcel; Fernández-Rodríguez, Miguel Ángel; Steinacher, Mathias; Scheidegger, Laura; Geisel, Karen; Richtering, Walter; Squires, Todd M; Isa, Lucio

    2016-04-21

    We have studied the complete two-dimensional phase diagram of a core-shell microgel-laden fluid interface by synchronizing its compression with the deposition of the interfacial monolayer. Applying a new protocol, different positions on the substrate correspond to different values of the monolayer surface pressure and specific area. Analyzing the microstructure of the deposited monolayers, we discovered an isostructural solid-solid phase transition between two crystalline phases with the same hexagonal symmetry, but with two different lattice constants. The two phases corresponded to shell-shell and core-core inter-particle contacts, respectively; with increasing surface pressure the former mechanically failed enabling the particle cores to come into contact. In the phase-transition region, clusters of particles in core-core contacts nucleate, melting the surrounding shell-shell crystal, until the whole monolayer moves into the second phase. We furthermore measured the interfacial rheology of the monolayers as a function of the surface pressure using an interfacial microdisk rheometer. The interfaces always showed a strong elastic response, with a dip in the shear elastic modulus in correspondence with the melting of the shell-shell phase, followed by a steep increase upon the formation of a percolating network of the core-core contacts. These results demonstrate that the core-shell nature of the particles leads to a rich mechanical and structural behavior that can be externally tuned by compressing the interface, indicating new routes for applications, e.g. in surface patterning or emulsion stabilization.

  7. Cluster model calculations of the solid state materials electron structure

    Pelikan, P.; Biskupic, S.; Banacky, P.; Zajac, A.; Svrcek, A.; Noga, J.

    1997-01-01

    Materials of the general composition ACuO 2 are the parent compounds of so called infinite layer superconductors. In the paper presented the electron structure of the compounds CaCuO 2 , SrCuO2, Ca 0.86 Sr 0.14 CuO2 and Ca 0.26 Sr 0.74 CuO 2 were calculated. The cluster models consisting of 192 atoms were computed using quasi relativistic version of semiempirical INDO method. The obtained results indicate the strong ionicity of Ca/Sr-O bonds and high covalency of Cu-bonds. The width of energy gap at the Fermi level increases as follows: Ca 0.26 Sr 0.74 CuO 2 0.86 Sr 0.14 CuO2 2 . This order correlates with the fact that materials of the composition Ca x Sr 1-x CuO 2 have have the high temperatures of the superconductive transition (up to 110 K). Materials partially substituted by Sr 2+ have also the higher density of states in the close vicinity at the Fermi level that ai the additional condition for the possibility of superconductive transition. It was calculated the strong influence of the vibration motions to the energy gap at the Fermi level. (authors). 1 tabs., 2 figs., 10 refs

  8. Structure, spectra and stability of solid bismuth carbonates

    Taylor, Peter; Sunder, S.; Lopata, V.J.

    1984-01-01

    A previously unreported basic bismuth carbonate, (BiO)sub(4)(OH)sub(2)COsub(3), has been identified as an intermediate product in the interconversion of α-Bisub(2)Osub(3) and synthetic bismutite, (BiO)sub(2)COsub(3), in aqueous carbonate solutions. It has a narrow stability field between COsub(2) partial pressures of 10sup(-5.5+-1.0) Pa, in the presence of dilute aqueous solution at 25 degrees C. Gibbs energies of formation, calculated from these partial pressures, are Δsub(f)Gsup(0)((BiO)sub(4)(OH)sub(2)COsub(3),s,298.15 K)-1678 +- 9 kJ molsup(-1) and Δsub(f)Gsup(0)((BiO)sub(2)COsub(3),s,298.15 K)=-945 +- 7 kJ molsup(-1). The two carbonates have been compared by thermogravimetric analysis, X-ray powder diffractometry, and infrared and Raman spectroscopy. The unit cell of (BiO)sub(4)(OH)sub(2)COsub(3) is dimensionally orthorhombic, with a=10.772(1), b=5.4898(5), c=14.757(1)angstrom,Z=4, but its true symmetry is probably triclinic. A structural model for (BiO)sub(4)(OH)sub(2)COsub(3), and two modified models for (BiO)sub(2)COsub(3), are proposed. The possible natural occurrence of (BiO)sub(4)(OH)sub(2)COsub(3) is discussed

  9. Structural investigation of e-beam cured epoxy resins through solid state NMR

    Alessi, Sabina; Spinella, Alberto; Caponetti, Eugenio; Dispenza, Clelia; Spadaro, Giuseppe

    2012-01-01

    In this paper the network structure of e-beam cured DGEBF based epoxy resins is investigated. Two epoxy systems, having different reactivity and cured in different process conditions, were analyzed through solid state NMR spectroscopy. The analysis shows that the more reactive system has higher cross-linking density and higher uniformity of network distribution. Similar information were obtained, in a previous work, on the same systems through dynamic mechanical thermal analysis. It is worth noting that unlike DMTA tests, which interfere with the molecular structure of the analyzed material, due to the heating during the analysis itself, more reliable information, without any artefact, are obtained by solid state NMR, carried out at constant room temperature. - Highlights: ► The structure of two e-beam cured epoxy systems is investigated through solid state NMR. ► The aim is to have direct information about the structure without inducing modifications. ► The different molecular structures are able to emphasize the response of solid state NMR. ► T 1 H, T 1ρ H and T CH measurements indicate different cross-linking degrees. ► The NMR results are in agreement with DMTA analysis performed in a previous paper.

  10. Geometry Effect Investigation on a Conical Chamber with Porous Media Boundary Condition Using Computational Fluid Dynamic (CFD Technique

    Yazid Bindar

    2009-11-01

    Full Text Available The present study is an attempt to introduce the method for optimizing the geometry of the unit process. The comprehensive unit process performances are generated by a CFD engine. The CFD engine can simulate the unit process performances at what ever conditions. Both design geometry and operating variables weree used on the CFD simulation. The burden on a simplified process was taken out from CFD simulation. A complex geometry of a unit process is represented by a secondary reformer. A secondary reformer has a conical volume as a space to undergo the combustion reaction before entering the catalyst bed. This complexity is added by the boundary of the porous solid surface as the top surface of catalyst bed. The spread angle affect the flow pattern in side the conical volume having a porous solid surface as a base. The spread angle above 65o results the disappearing of the recirculation flow. The inlet distance from the porous solid surface also can exhibit different characteristics of recirculation flow. The closer the distance to the porous solid surface, the stronger the recirculation is. The inlet velocity values have no significant effect on the flow pattern. The introduction of a solid volume inside the geometry creates the distortion of the flow pattern. In the application, the inserted solid volume is equivalent to a burner. It means that the use of the burner inherently produces some problems of the flow distribution

  11. Defect structure of cubic solid solutions of alkaline earth and rare earth fluorides

    DenHartog, HW

    1996-01-01

    In this paper we will consider the disorder in some cubic solid solutions consisting of one of the alkaline earth fluorides and one of the rare earth fluorides. This is an attractive group of model materials, because these materials have a rather simple overall cubic structure. We will discuss the

  12. Conical twist fields and null polygonal Wilson loops

    Castro-Alvaredo, Olalla A.; Doyon, Benjamin; Fioravanti, Davide

    2018-06-01

    Using an extension of the concept of twist field in QFT to space-time (external) symmetries, we study conical twist fields in two-dimensional integrable QFT. These create conical singularities of arbitrary excess angle. We show that, upon appropriate identification between the excess angle and the number of sheets, they have the same conformal dimension as branch-point twist fields commonly used to represent partition functions on Riemann surfaces, and that both fields have closely related form factors. However, we show that conical twist fields are truly different from branch-point twist fields. They generate different operator product expansions (short distance expansions) and form factor expansions (large distance expansions). In fact, we verify in free field theories, by re-summing form factors, that the conical twist fields operator product expansions are correctly reproduced. We propose that conical twist fields are the correct fields in order to understand null polygonal Wilson loops/gluon scattering amplitudes of planar maximally supersymmetric Yang-Mills theory.

  13. An automatic granular structure generation and finite element analysis of heterogeneous semi-solid materials

    Sharifi, Hamid; Larouche, Daniel

    2015-01-01

    The quality of cast metal products depends on the capacity of the semi-solid metal to sustain the stresses generated during the casting. Predicting the evolution of these stresses with accuracy in the solidification interval should be highly helpful to avoid the formation of defects like hot tearing. This task is however very difficult because of the heterogeneous nature of the material. In this paper, we propose to evaluate the mechanical behaviour of a metal during solidification using a mesh generation technique of the heterogeneous semi-solid material for a finite element analysis at the microscopic level. This task is done on a two-dimensional (2D) domain in which the granular structure of the solid phase is generated surrounded by an intergranular and interdendritc liquid phase. Some basic solid grains are first constructed and projected in the 2D domain with random orientations and scale factors. Depending on their orientation, the basic grains are combined to produce larger grains or separated by a liquid film. Different basic grain shapes can produce different granular structures of the mushy zone. As a result, using this automatic grain generation procedure, we can investigate the effect of grain shapes and sizes on the thermo-mechanical behaviour of the semi-solid material. The granular models are automatically converted to the finite element meshes. The solid grains and the liquid phase are meshed properly using quadrilateral elements. This method has been used to simulate the microstructure of a binary aluminium–copper alloy (Al–5.8 wt% Cu) when the fraction solid is 0.92. Using the finite element method and the Mie–Grüneisen equation of state for the liquid phase, the transient mechanical behaviour of the mushy zone under tensile loading has been investigated. The stress distribution and the bridges, which are formed during the tensile loading, have been detected. (paper)

  14. Structure dynamics. Determination of the coupled relationships in solid-fluid-gas dynamics

    Hofmann, H.; Huber, A.; Naehring, T.; Bonakdarzadeh, S.; Faass, E.; Gaschen, J.P.; Kniffka, K.; Pilz, H.

    1980-06-01

    In the present paper the code concept SAN (Structure ANalysis) is presented. SAN is designed according to the modular principle using describing and coordinating modules. SAN is based on the discreetizing method. It uses compatible forms of description. The method of finite elements is applied. Solid-fluid-gas structures may be described as well as their interrelations in the linear and nonlinear region, including phase transitions with the associated descriptions of material and state. (orig./RW) [de

  15. Applied structural and solid mechanics section: 1983 review and 1984 programs

    Chadha, J.A.

    1984-01-01

    This report reviews briefly the applied research and problem solving work carried out by the Applied Structural and Solid Mechanics Section during 1983. In 1983 there was a strong demand for services in the areas of theroretical and experimental stress analysis, heat transfer analysis, nonlinear analysis, and general structural analyses related to nuclear and thermal power plant, and transmission line components. Development of capabilities in these areas progressed well. Proposed work programs for 1984 are outlined in this report

  16. Crystallinity, Surface Morphology, and Photoelectrochemical Effects in Conical InP and InN Nanowires Grown on Silicon.

    Parameshwaran, Vijay; Xu, Xiaoqing; Clemens, Bruce

    2016-08-24

    The growth conditions of two types of indium-based III-V nanowires, InP and InN, are tailored such that instead of yielding conventional wire-type morphologies, single-crystal conical structures are formed with an enlarged diameter either near the base or near the tip. By using indium droplets as a growth catalyst, combined with an excess indium supply during growth, "ice cream cone" type structures are formed with a nanowire "cone" and an indium-based "ice cream" droplet on top for both InP and InN. Surface polycrystallinity and annihilation of the catalyst tip of the conical InP nanowires are observed when the indium supply is turned off during the growth process. This growth design technique is extended to create single-crystal InN nanowires with the same morphology. Conical InN nanowires with an enlarged base are obtained through the use of an excess combined Au-In growth catalyst. Electrochemical studies of the InP nanowires on silicon demonstrate a reduction photocurrent as a proof of photovolatic behavior and provide insight as to how the observed surface polycrystallinity and the resulting interface affect these device-level properties. Additionally, a photovoltage is induced in both types of conical InN nanowires on silicon, which is not replicated in epitaxial InN thin films.

  17. Generation of fast multiply charged ions in conical targets

    Demchenko, V.V.; Chukbar, K.V.

    1990-01-01

    So-called conical targets, when the thermonuclear fuel is compressed and heated in a conical cavity in a heavy material (lead, gold, etc.) with the help of a spherical segment that is accelerated by a laser pulse or a beam of charged particles, are often employed in experimental studies of inertial-confinement fusion. In spite of the obvious advantages of such a scheme, one of which is a significant reduction of the required energy input compared with the complete spherical target, it also introduces additional effects into the process of cumulation of energy. In this paper the authors call attention to an effect observed in numerical calculations: the hydrodynamic heating of a small group of multiply charged heavy ions of the walls of the conical cavity up to high energies (T i approx-gt 100 keV). This effect ultimately occurs as a result of the high radiation losses of a multiply charged plasma

  18. Sintered Cathodes for All-Solid-State Structural Lithium-Ion Batteries

    Huddleston, William; Dynys, Frederick; Sehirlioglu, Alp

    2017-01-01

    All-solid-state structural lithium ion batteries serve as both structural load-bearing components and as electrical energy storage devices to achieve system level weight savings in aerospace and other transportation applications. This multifunctional design goal is critical for the realization of next generation hybrid or all-electric propulsion systems. Additionally, transitioning to solid state technology improves upon battery safety from previous volatile architectures. This research established baseline solid state processing conditions and performance benchmarks for intercalation-type layered oxide materials for multifunctional application. Under consideration were lithium cobalt oxide and lithium nickel manganese cobalt oxide. Pertinent characteristics such as electrical conductivity, strength, chemical stability, and microstructure were characterized for future application in all-solid-state structural battery cathodes. The study includes characterization by XRD, ICP, SEM, ring-on-ring mechanical testing, and electrical impedance spectroscopy to elucidate optimal processing parameters, material characteristics, and multifunctional performance benchmarks. These findings provide initial conditions for implementing existing cathode materials in load bearing applications.

  19. Unsteady wall pressure field of a model A-pillar conical vortex

    Hoarau, C. [Laboratoire d' Etudes Aerodynamiques, LEA UMR CNRS/Universite de Poitiers/ENSMA 6609, Teleport 2, 1 Av. Clement Ader, BP 40109, 86961 Futuroscope Chasseneuil (France); Boree, J. [Laboratoire d' Etudes Aerodynamiques, LEA UMR CNRS/Universite de Poitiers/ENSMA 6609, Teleport 2, 1 Av. Clement Ader, BP 40109, 86961 Futuroscope Chasseneuil (France)], E-mail: jacques.boree@lea.ensma.fr; Laumonier, J.; Gervais, Y. [Laboratoire d' Etudes Aerodynamiques, LEA UMR CNRS/Universite de Poitiers/ENSMA 6609, Teleport 2, 1 Av. Clement Ader, BP 40109, 86961 Futuroscope Chasseneuil (France)

    2008-06-15

    The spatio-temporal properties of the unsteady wall pressure field of a model A-pillar conical vortex are studied in this paper by combining 2 component LDV measurements and multi-point pressure measurements using off-set microphones. The model body has sharp edges. Detailed LDV measurements are presented and discussed in the vortex region. The fluctuating velocities are the signature of both an unsteady behaviour of the organised vortical structure interacting with the wall and of finer scale turbulence carried by the unsteady flow. A spectral analysis of the fluctuating pressure under the vortex core is used to analyse the link between the temporal and spatial scales of the unsteady aerodynamics and the wall pressure field. We show that the conical vortex is a guide for the velocity perturbations and that their hydrodynamic pressure footprint is transported at the measured mean axial velocity in a local reference frame aligned with the vortex core. Two distinct peaks of coherence can then be associated with perturbations having (i) a length scale of the order of the full length of the conical structure; (ii) a length scale of the order of the width of the structure. These perturbations may correspond to a global meandering of the structure (low frequency contribution) and to large scale perturbations generated during the rolling-up of the unsteady vortex sheet. Notably, the energy containing higher frequency parts of the PSD are only weakly correlated when distant sensors are considered. The three distinct contributions extracted here have a significant impact as far as Cp' is concerned and should be transmitted in very different ways by the car structure because the frequency and length scale range is very distinct.

  20. Unsteady wall pressure field of a model A-pillar conical vortex

    Hoarau, C.; Boree, J.; Laumonier, J.; Gervais, Y.

    2008-01-01

    The spatio-temporal properties of the unsteady wall pressure field of a model A-pillar conical vortex are studied in this paper by combining 2 component LDV measurements and multi-point pressure measurements using off-set microphones. The model body has sharp edges. Detailed LDV measurements are presented and discussed in the vortex region. The fluctuating velocities are the signature of both an unsteady behaviour of the organised vortical structure interacting with the wall and of finer scale turbulence carried by the unsteady flow. A spectral analysis of the fluctuating pressure under the vortex core is used to analyse the link between the temporal and spatial scales of the unsteady aerodynamics and the wall pressure field. We show that the conical vortex is a guide for the velocity perturbations and that their hydrodynamic pressure footprint is transported at the measured mean axial velocity in a local reference frame aligned with the vortex core. Two distinct peaks of coherence can then be associated with perturbations having (i) a length scale of the order of the full length of the conical structure; (ii) a length scale of the order of the width of the structure. These perturbations may correspond to a global meandering of the structure (low frequency contribution) and to large scale perturbations generated during the rolling-up of the unsteady vortex sheet. Notably, the energy containing higher frequency parts of the PSD are only weakly correlated when distant sensors are considered. The three distinct contributions extracted here have a significant impact as far as Cp' is concerned and should be transmitted in very different ways by the car structure because the frequency and length scale range is very distinct

  1. Structural Integrity Program for the Calcined Solids Storage Facilities at the Idaho Nuclear Technology and Engineering Center

    Bryant, J.W.; Nenni, J.A.

    2003-01-01

    This report documents the activities of the structural integrity program at the Idaho Nuclear Technology and Engineering Center relevant to the high-level waste Calcined Solids Storage Facilities and associated equipment, as required by DOE M 435.1-1, ''Radioactive Waste Management Manual.'' Based on the evaluation documented in this report, the Calcined Solids Storage Facilities are not leaking and are structurally sound for continued service. Recommendations are provided for continued monitoring of the Calcined Solids Storage Facilities

  2. Structural Integrity Program for the Calcined Solids Storage Facilities at the Idaho Nuclear Technology and Engineering Center

    Jeffrey Bryant

    2008-01-01

    This report documents the activities of the structural integrity program at the Idaho Nuclear Technology and Engineering Center relevant to the high-level waste Calcined Solids Storage Facilities and associated equipment, as required by DOE M 435.1-1, 'Radioactive Waste Management Manual'. Based on the evaluation documented in this report, the Calcined Solids Storage Facilities are not leaking and are structurally sound for continued service. Recommendations are provided for continued monitoring of the Calcined Solids Storage Facilities

  3. A method of producing a multilayer barrier structure for a solid oxide fuel cell

    2010-01-01

    The present invention provides a method of producing a multilayer barrier structure for a solid oxide cell stack, comprising the steps of: - providing a metal interconnect, wherein the metal interconnect is a ferritic stainless steel layer; - applying a first metal oxide layer on said metal...... oxide; and - reacting the metal oxide in said first metal oxide layer with the metal of said metal interconnect during the SOC-stack initialisation, and a solid oxide stack comprising an anode contact layer and support structure, an anode layer, an electrolyte layer, a cathode layer, a cathode contact...... layer, a metallic interconnect, and a multilayer barrier structure which is obtainable by the above method and through an initialisation step, which is carried out under controlled conditions for atmosphere composition and current load, which depends on the layer composition facilitating the formation...

  4. Solid state proton spin-lattice relaxation in four structurally related organic molecules

    Beckmann, Peter A.; Burbank, Kendra S.; Lau, Matty M.W.; Ree, Jessica N.; Weber, Tracy L.

    2003-01-01

    We report and interpret the temperature dependence of the proton spin-lattice relaxation rate at 8.50 and 22.5 MHz in four polycrystalline solids composed of structurally related molecules: 2-ethylanthracene, 2-t-butylanthracene, 2-ethylanthraquinone, and 2-t-butylanthraquinone. We have been unable to grow single crystals and therefore do not know the crystal structures. Hence, we use the NMR relaxometry data to make predictions about the solid state structures. As expected, we are able to conclude that the ethyl groups do not reorient in the solid state but that the t-butyl groups do. The anthraquinones have a ''simpler'' structure than the anthracenes. The best dynamical models suggest that there is a unique crystallographic site for the t-butyl groups in 2-t-butylanthraquinone and two sites, each with half the molecules, for the ethyl groups in 2-ethylanthraquinone. There are also two sites in 2-ethylanthracene, but with unequal weights, suggesting four sites in the unit cell with lower symmetry than the two anthraquinones. Finally, the observed relaxation rate data in 2-t-butylanthracene is very complex and its interpretation demonstrates the uniqueness problem that arises in interpreting relaxometry data without the knowledge of the crystal structure

  5. Wave-vector and polarization dependence of conical refraction.

    Turpin, A; Loiko, Yu V; Kalkandjiev, T K; Tomizawa, H; Mompart, J

    2013-02-25

    We experimentally address the wave-vector and polarization dependence of the internal conical refraction phenomenon by demonstrating that an input light beam of elliptical transverse profile refracts into two beams after passing along one of the optic axes of a biaxial crystal, i.e. it exhibits double refraction instead of refracting conically. Such double refraction is investigated by the independent rotation of a linear polarizer and a cylindrical lens. Expressions to describe the position and the intensity pattern of the refracted beams are presented and applied to predict the intensity pattern for an axicon beam propagating along the optic axis of a biaxial crystal.

  6. Loading functions generated by solid explosive detonations inside concrete containment structures

    Freund, H.W.; Schumann, S.; Rischbieter, F.; Schmitz, C.

    1989-01-01

    Partial dismantling of concrete structures by controlled blasting is being considered for nuclear power reactor decommissioning /1,2/. Quantitative prediction of both the desired destructive effects and the side effects caused by the dynamic load is based on knowledge of the time dependent forces acting on the structure, availability of data abut the dynamic material properties, realistic structural models. This work describes investigations performed to obtain time dependent forces for the case where solid explosive charges embedded into concrete are being detonated. The resulting multi component loading function is shown to constitute a set of input data for pre-test safety calculations of the building vibrational response

  7. Local structure in the disordered solid solution of cis- and trans-perinones

    Teteruk, Jaroslav L.; Glinnemann, Juergen; Heyse, Winfried

    2016-01-01

    preferred local arrangements, ordering lengths, and probabilities for the arrangement of neighbouring molecules. The superposition of the atomic positions of all energetically favourable calculated models corresponds well with the experimentally determined crystal structures, explaining not only the atomic....... The crystal structure of the solid solution was determined by single-crystal X-ray analysis. Extensive lattice-energy minimizations with force-field and DFT-D methods were carried out on combinatorially complete sets of ordered models. For the disordered systems, local structures were calculated, including...

  8. Marginal bone levels at single tooth implants with a conical fixture design. The influence of surface macro- and microstructure.

    Norton, M R

    1998-04-01

    The concept of a conical implant design to accommodate single tooth replacement, has previously been shown to result in excessive bone loss, around the machined titanium conical collar, usually down to the 1st thread. This unusually aggressive loss of bone was shown to occur within a short period of time, post loading, with greater than 3 mm of bone loss occurring within the 1st 6 months to 1 year. The influence of implant design, surface texture and microleakage have all been highlighted as a potential cause. A modification of the surface structure, both at the macroscopic and microscopic level, as well as an altered fixture-abutment interface design has resulted in the maintenance of marginal bone around a single tooth titanium implant with a similar conical design. The radiographic follow-up of 33 implants loaded for up to 4 years, has revealed, by comparison, a most favourable maintenance of marginal bone around the conical collar, with a mean marginal bone loss of 0.32 mm mesially and 0.34 mm distally for the whole group. The cumulative mean marginal bone loss mesially and distally is 0.42 mm and 0.40 mm from 1 to 2 years, 0.54 mm and 0.43 mm from 2 to 3 years, 0.51 mm and 0.24 mm from 3 to 4 years, and 0.62 mm and 0.60 mm for implants past their 4 year recall.

  9. THE STRUCTURE AND CONCENTRATION OF SOLIDS IN PHOTORECEPTOR CELLS STUDIED BY REFRACTOMETRY AND INTERFERENCE MICROSCOPY

    Sidman, Richard L.

    1957-01-01

    Fragments of freshly obtained retinas of several vertebrate species were studied by refractometry, with reference to the structure of the rods and cones. The findings allowed a reassessment of previous descriptions based mainly on fixed material. The refractometric method was used also to measure the refractice indices and to calculate the concentrations of solids and water in the various cell segments. The main quantitative data were confirmed by interference microscopy. When examined by the method of refractometry the outer segments of freshly prepared retinal rods appear homogeneous. Within a few minutes a single eccentric longitudinal fiber appears, and transverse striations may develop. These changes are attributed to imbibition of water and swelling in structures normally too small for detection by light microscopy. The central "core" of outer segments and the chromophobic disc between outer and inner segments appear to be artifacts resulting from shrinkage during dehydration. The fresh outer segments of cones, and the inner segments of rods and cones also are described and illustrated. The volumes, refractive indices, concentrations of solids, and wet and dry weights of various segments of the photoreceptor cells were tabulated. Rod outer segments of the different species vary more than 100-fold in volume and mass but all have concentrations of solids of 40 to 43 per cent. Cone outer segments contain only about 30 per cent solids. The myoids, paraboloids, and ellipsoids of the inner segments likewise have characteristic refractive indices and concentrations of solids. Some of the limitations and particular virtues of refractometry as a method for quantitative analysis of living cells are discussed in comparison with more conventional biochemical techniques. Also the shapes and refractive indices of the various segments of photoreceptor cells are considered in relation to the absorption and transmission of light. The Stiles-Crawford effect can be accounted

  10. Fabrication of All-Solid-State Lithium-Ion Cells Using Three-Dimensionally Structured Solid Electrolyte Li7La3Zr2O12 Pellets

    Shoji, Mao; Munakata, Hirokazu; Kanamura, Kiyoshi

    2016-01-01

    All-solid-state lithium-ion batteries using Li + -ion conducting ceramic electrolytes have been focused on as attractive future batteries for electric vehicles and renewable energy conversion systems because high safety can be realized due to non-flammability of ceramic electrolytes. In addition, a higher volumetric energy density than that of current lithium-ion batteries is expected since the all-solid-state lithium-ion batteries can be made in bipolar cell configurations. However, the special ideas and techniques based on ceramic processing are required to construct the electrochemical interface for all-solid-state lithium-ion batteries since the battery development has been done so far based on liquid electrolyte system over 100 years. As one of the promising approaches to develop practical all-solid-state batteries, we have been focusing on three-dimensionally (3D) structured cell configurations such as an interdigitated combination of 3D pillars of cathode and anode, which can be realized by using solid electrolyte membranes with hole-array structures. The application of such kinds of 3D structures effectively increases the interface between solid electrode and solid electrolyte per unit volume, lowering the internal resistance of all-solid-state lithium-ion batteries. In this study, Li 6.25 Al 0.25 La 3 Zr 2 O 12 (LLZAl), which is a Al-doped Li 7 La 3 Zr 2 O 12 (LLZ) with Li + -ion conductivity of ~10 –4 S ⋅cm −1 at room temperature and high stability against lithium-metal, was used as a solid electrolyte, and its pellets with 700 μm depth holes in 700 μm × 700 μm area were fabricated to construct 3D-structured all-solid-state batteries with LiCoO 2 /LLZAl/lithium-metal configuration. It is expected that the LiCoO 2 –LLZAl interface is formed by point-to-point contact even when the LLZAl pellet with 3D hole-array structure is applied. Therefore, Li 3 BO 3 , which is a mechanically soft solid electrolyte with a low melting point at around 700

  11. Dislocation Structure and Mobility in Hcp Rare-Gas Solids: Quantum versus Classical

    Santiago Sempere

    2018-01-01

    Full Text Available We study the structural and mobility properties of edge dislocations in rare-gas crystals with the hexagonal close-packed (hcp structure by using classical simulation techniques. Our results are discussed in the light of recent experimental and theoretical studies on hcp 4 He, an archetypal quantum crystal. According to our simulations classical hcp rare-gas crystals present a strong tendency towards dislocation dissociation into Shockley partials in the basal plane, similarly to what is observed in solid helium. This is due to the presence of a low-energy metastable stacking fault, of the order of 0.1 mJ/m 2 , that can get further reduced by quantum nuclear effects. We compute the minimum shear stress that induces glide of dislocations within the hcp basal plane at zero temperature, namely, the Peierls stress, and find a characteristic value of the order of 1 MPa. This threshold value is similar to the Peierls stress reported for metallic hcp solids (Zr and Cd but orders of magnitude larger than the one estimated for solid helium. We find, however, that in contrast to classical hcp metals but in analogy to solid helium, glide of edge dislocations can be thermally activated at very low temperatures, T∼10 K, in the absence of any applied shear stress.

  12. Hexahedral connection element based on hybrid-stress theory for solid structures

    Wu, D; Sze, K Y; Lo, S H

    2010-01-01

    For building structures, high-performance hybrid-stress hexahedral solid elements are excellent choices for modelling joints, beams/columns walls and thick slabs if the exact geometrical representation is required. While it is straight-forward to model beam-column structures of uniform member size with solid hexahedral elements, joining up beams and columns of various cross-sections at a common point proves to be a challenge for structural modelling using hexahedral elements with specified dimensions. In general, the joint has to be decomposed into 27 smaller solid elements to cater for the necessary connection requirements. This will inevitably increase the computational cost and introduce element distortions when elements of different sizes have to be used at the joint. Hexahedral connection elements with arbitrary specified connection interfaces will be an ideal setup to connect structural members of different sizes without increasing the number of elements or introducing highly distorted elements. In this paper, based on the hybrid-stress element theory, a general way to construct hexahedral connection element with various interfaces is introduced. Following this way, a 24-node connection element is presented and discussed in detail. Performance of the 24-node connection element equipped with different number of stress modes will be assessed with worked examples.

  13. Ab initio study of structural and mechanical property of solid molecular hydrogens

    Ye, Yingting; Yang, Li; Yang, Tianle; Nie, Jinlan; Peng, Shuming; Long, Xinggui; Zu, Xiaotao; Du, Jincheng

    2015-06-01

    Ab initio calculations based on density functional theory (DFT) were performed to investigate the structural and the elastic properties of solid molecular hydrogens (H2). The influence of molecular axes of H2 on structural relative stabilities of hexagonal close-packed (hcp) and face-centered cubic (fcc) structured hydrogen molecular crystals were systematically investigated. Our results indicate that for hcp structures, disordered hydrogen molecule structure is more stable, while for fcc structures, Pa3 hydrogen molecular crystal is most stable. The cohesive energy of fcc H2 crystal was found to be lower than hcp. The mechanical properties of fcc and hcp hydrogen molecular crystals were obtained, with results consistent with previous theoretical calculations. In addition, the effects of zero point energy (ZPE) and van der Waals (vdW) correction on the cohesive energy and the stability of hydrogen molecular crystals were systematically studied and discussed.

  14. GPM GROUND VALIDATION CONICAL SCANNING MILLIMETER-WAVE IMAGING RADIOMETER (COSMIR) MC3E V1

    National Aeronautics and Space Administration — The GPM Ground Validation Conical Scanning Millimeter-wave Imaging Radiometer (COSMIR) MC3E dataset used the Conical Scanning Millimeter-wave Imaging Radiometer...

  15. GPM GROUND VALIDATION CONICAL SCANNING MILLIMETER-WAVE IMAGING RADIOMETER (COSMIR) GCPEX V1

    National Aeronautics and Space Administration — The GPM Ground Validation Conical Scanning Millimeter-wave Imaging Radiometer (COSMIR) GCPEx dataset used the Conical Scanning Millimeter-wave Imaging Radiometer...

  16. A bird’s eye view on the flat and conic band world of the honeycomb and Kagome lattices: towards an understanding of 2D metal-organic frameworks electronic structure

    Barreteau, C.; Ducastelle, F.; Mallah, T.

    2017-11-01

    We present a thorough tight-binding analysis of the band structure of a wide variety of lattices belonging to the class of honeycomb and Kagome systems including several mixed forms combining both lattices. The band structure of these systems are made of a combination of dispersive and flat bands. The dispersive bands possess Dirac cones (linear dispersion) at the six corners (K points) of the Brillouin zone although in peculiar cases Dirac cones at the center of the zone (Γ point) appear. The flat bands can be of different nature. Most of them are tangent to the dispersive bands at the center of the zone but some, for symmetry reasons, do not hybridize with other states. The objective of our work is to provide an analysis of a wide class of so-called ligand-decorated honeycomb Kagome lattices that are observed in a 2D metal-organic framework where the ligand occupy honeycomb sites and the metallic atoms the Kagome sites. We show that the p x -p y graphene model is relevant in these systems and there exists four types of flat bands: Kagome flat (singly degenerate) bands, two kinds of ligand-centered flat bands (A2 like and E like, respectively doubly and singly degenerate) and metal-centered (three fold degenerate) flat bands.

  17. Wear Assessment of Conical Pick used in Coal Cutting Operation

    Dewangan, S.; Chattopadhyaya, S.; Hloch, Sergej

    -, 11/2014 (2014), s. 1-6 ISSN 0723-2632 Institutional support: RVO:68145535 Keywords : conical pick * wear * SEM * EDX Subject RIV: JQ - Machines ; Tools Impact factor: 2.420, year: 2014 http://link.springer.com/article/10.1007/s00603-014-0680-z

  18. Conical Dispersion and Effective Zero Refractive Index in Photonic Quasicrystals

    J. Dong; M Chang; X. Huang; Z. Hang; Z. Zhong; W. Chen; Z. Huang; C. Chan; X. Huang; Z. Huang

    2015-01-01

    htmlabstractIt is recognized that for a certain class of periodic photonic crystals, conical dispersion can be related to a zero-refractive index. It is not obvious whether such a notion can be extended to a noncrystalline system. We show that certain photonic quasicrystalline approximants have

  19. Thermokinetics of heterogeneous droplet nucleation on conically textured substrates.

    Singha, Sanat K; Das, Prasanta K; Maiti, Biswajit

    2015-11-28

    Within the framework of the classical theory of heterogeneous nucleation, a thermokinetic model is developed for line-tension-associated droplet nucleation on conical textures considering growth or shrinkage of the formed cluster due to both interfacial and peripheral monomer exchange and by considering different geometric configurations. Along with the principle of free energy extremization, Katz kinetic approach has been employed to study the effect of substrate conicity and wettability on the thermokinetics of heterogeneous water droplet nucleation. Not only the peripheral tension is found to have a considerable effect on the free energy barrier but also the substrate hydrophobicity and hydrophilicity are observed to switch over their roles between conical crest and trough for different growth rates of the droplet. Besides, the rate of nucleation increases and further promotes nucleation for negative peripheral tension as it diminishes the free energy barrier appreciably. Moreover, nucleation inhibition can be achievable for positive peripheral tension due to the enhancement of the free energy barrier. Analyzing all possible geometric configurations, the hydrophilic narrower conical cavity is found to be the most preferred nucleation site. These findings suggest a physical insight into the context of surface engineering for the promotion or the suppression of nucleation on real or engineered substrates.

  20. Polynomial modal analysis of lamellar diffraction gratings in conical mounting.

    Randriamihaja, Manjakavola Honore; Granet, Gérard; Edee, Kofi; Raniriharinosy, Karyl

    2016-09-01

    An efficient numerical modal method for modeling a lamellar grating in conical mounting is presented. Within each region of the grating, the electromagnetic field is expanded onto Legendre polynomials, which allows us to enforce in an exact manner the boundary conditions that determine the eigensolutions. Our code is successfully validated by comparison with results obtained with the analytical modal method.

  1. Variable volume combustor with a conical liner support

    Johnson, Thomas Edward; McConnaughhay, Johnie Franklin; Keener, Chrisophter Paul; Ostebee, Heath Michael

    2017-06-27

    The present application provides a variable volume combustor for use with a gas turbine engine. The variable volume combustor may include a liner, a number of micro-mixer fuel nozzles positioned within the liner, and a conical liner support supporting the liner.

  2. Parameter dependence of conic angle of nanofibres during electrospinning

    Zhou Zhengping; Wu Xiangfa; Jiang Long; Gao Xueqin; Zhao Yong; Fong Hao

    2011-01-01

    This paper reports the dependence of conic angle of nanofibres on the processing and material parameters during electrospinning. Solutions of polyacrylonitrile (PAN) in dimethylformamide (DMF) with varied PAN concentrations were studied as the model systems, and they were electrospun into nanofibres at different high direct current (dc) voltages, flow rates and needle diameters. The dynamic and transient shear viscosities of the PAN/DMF solutions were characterized by a parallel-plate rheometer at varied shear rates. Rheological measurements showed that the PAN/DMF solutions behaved as Newtonian fluids at relatively low to medium shear rates, while the solutions with high PAN concentrations of 18 and 20 wt% exhibited a significant shear-thinning behaviour at high shear rates, especially in the case of transient shear mode. Experimental results indicated that at the electrostatic field of ∼80 kV m -1 and needle inner diameter of 0.48 mm (22 gauge), the conic angle of the nanofibre envelope decreased from ∼160° to ∼75° with an increase in PAN concentration from 12 to 20 wt%; at the PAN concentration of 16 wt%, the conic angle increased nonlinearly from ∼40° to ∼160° with an increase in electric field from 50 to 140 kV m -1 . In addition, experimental results showed that the needle inner diameter also noticeably influenced the conic angle. This study provided the experimental evidence useful for understanding the scaling properties of electrohydrodynamic jet motion for controllable electrospinning and process modelling.

  3. Analysis of the conical piezoelectric acoustic emission transducer

    Červená, Olga; Hora, Petr

    2008-01-01

    Roč. 2, č. 1 (2008), s. 13-24 ISSN 1802-680X R&D Projects: GA ČR GA101/06/1689 Institutional research plan: CEZ:AV0Z20760514 Keywords : acoustic emission * conical transducer * FEM Subject RIV: BI - Acoustics

  4. Performance Optimization of a Conical Dielectric Elastomer Actuator

    Chongjing Cao

    2018-06-01

    Full Text Available Dielectric elastomer actuators (DEAs are known as ‘artificial muscles’ due to their large actuation strain, high energy density and self-sensing capability. The conical configuration has been widely adopted in DEA applications such as bio-inspired locomotion and micropumps for its good compactness, ease for fabrication and large actuation stroke. However, the conical protrusion of the DEA membrane is characterized by inhomogeneous stresses, which complicate their design. In this work, we present an analytical model-based optimization for conical DEAs with the three biasing elements: (I linear compression spring; (II biasing mass; and (III antagonistic double-cone DEA. The optimization is to find the maximum stroke and work output of a conical DEA by tuning its geometry (inner disk to outer frame radius ratio a/b and pre-stretch ratio. The results show that (a for all three cases, stroke and work output are maximum for a pre-stretch ratio of 1 × 1 for the Parker silicone elastomer, which suggests the stretch caused by out-of-plane deformation is sufficient for this specific elastomer. (b Stroke maximization is obtained for a lower a/b ratio while a larger a/b ratio is required to maximize work output, but the optimal a/b ratio is less than 0.3 in all three cases. (c The double-cone configuration has the largest stroke while single cone with a biasing mass has the highest work output.

  5. Alexa Fluor-labeled Fluorescent Cellulose Nanocrystals for Bioimaging Solid Cellulose in Spatially Structured Microenvironments

    Grate, Jay W.; Mo, Kai-For; Shin, Yongsoon; Vasdekis, Andreas; Warner, Marvin G.; Kelly, Ryan T.; Orr, Galya; Hu, Dehong; Dehoff, Karl J.; Brockman, Fred J.; Wilkins, Michael J.

    2015-03-18

    Cellulose nanocrystal materials have been labeled with modern Alexa Fluor dyes in a process that first links the dye to a cyanuric chloride molecule. Subsequent reaction with cellulose nanocrystals provides dyed solid microcrystalline cellulose material that can be used for bioimaging and suitable for deposition in films and spatially structured microenvironments. It is demonstrated with single molecular fluorescence microscopy that these films are subject to hydrolysis by cellulose enzymes.

  6. Structure of solid surfaces and of adsorbates by low-energy electron diffraction

    Somorjai, G.A.

    1977-01-01

    LEED theory has developed to the point where the diffraction beam intensities can be computed using the locations of the surface atoms as the only adjustable parameters. The position of atoms in many clean monatomic solid surfaces and the surface structures of ordered monolayers of adsorbed atoms have been determined this way. Surface crystallography studies are now extended to small hydrocarbon molecules that are adsorbed on metal surfaces. These studies are reviewed

  7. Structural transformation of compressed solid Ar: An x-ray diffraction study to 114 GPa

    Errandonea, D.; Boehler, R.; Japel, S.; Mezouar, M.; Benedetti, L. R.

    2006-01-01

    Room temperature angle-dispersive x-ray diffraction measurements on solid Ar up to 114 GPa reveal evidence of a structural phase transformation after stress relaxation by laser heating. Beyond 49.6 GPa, Ar exhibits the coexistence of fcc and hcp phases with an increasing hcp/fcc ratio, similar to the observation made recently on krypton and xenon. From the present results, we estimate the fcc-to-hcp transition to be completed at 300 GPa

  8. Separation and Extension of Cover Inequalities for Conic Quadratic Knapsack Constraints with Generalized Upper Bounds

    Atamtürk, Alper; Muller, Laurent Flindt; Pisinger, David

    2013-01-01

    Motivated by addressing probabilistic 0-1 programs we study the conic quadratic knapsack polytope with generalized upper bound (GUB) constraints. In particular, we investigate separating and extending GUB cover inequalities. We show that, unlike in the linear case, determining whether a cover can...... be extended with a single variable is NP-hard. We describe and compare a number of exact and heuristic separation and extension algorithms which make use of the structure of the constraints. Computational experiments are performed for comparing the proposed separation and extension algorithms...

  9. LEPINOCONUS CHIOCCHINII GEN. N., N. SP., A CONICAL AGGLUTINATED FORAMINIFERA FROM THE UPPER CRETACEOUS OF ITALY

    ERZIKA CRUZ-ABAD

    2017-04-01

    Full Text Available A new conical agglutinated foraminifer, Lepinoconus chiocchinii gen n., n. sp. from the lower Campanian shallow-water platform deposits of the Lepini Mountains (central Apennines, Italy, is described. It has a pseudo-keriothecal wall structure, uniserial arrangement of the adult chambers and multiple apertures. The exoskeleton is constituted by beams (main and intercalary continuous from one chamber to the next, while the endoskeleton bears pillars. The new taxon is included in the Coskinolinidae family. Lepinoconus chiocchinii gen. n., n. sp. is known from southern Italy, Greece and Albania.

  10. The structure of the solid-liquid interface: atomic size effect; La structure de l'interface solide-liquide: effet de taille atomique

    Geysermans, P.; Pontikis, V. [Centre National de la Recherche Scientifique (CNRS), 94 - Vitry-sur-Seine (France). Centre d' Etudes de Chimie Metallurgique

    2002-09-01

    The atomic structure of the solid-liquid heterophase interface was investigated by using molecular dynamics. Two kinds of systems were studied; the first one was crystalline copper with (100) and (111) surface terminations in contact with liquid aluminium, while in the second one the interface was modelled by two systems in contact made of Lennard-Jones particles with different size ({sigma}) and energy ({epsilon}) parameters. We found that at the interface the liquid was layered whatever the crystallographic orientation of the surface. The layering of the liquid is still preserved when the ratio of particles sites ({chi}={sigma}{sub 1}/{sigma}{sub 2}) changes while an epitaxial relationship is always found between the crystal and the first liquid layer. The average density of the latter is closely related to the {chi} value. (authors)

  11. Large-eddy simulation of shallow turbulent wakes behind a conical island

    Ouro, Pablo; Wilson, Catherine A. M. E.; Evans, Paul; Angeloudis, Athanasios

    2017-12-01

    Large-Eddy Simulations (LESs) and experiments were employed to study the influence of water depth on the hydrodynamics in the wake of a conical island for emergent, shallow, and deeply submerged conditions. The Reynolds numbers based on the island's base diameter for these conditions range from 6500 to 8125. LES results from the two shallower conditions were validated against experimental measurements from an open channel flume and captured the characteristic flow structures around the cone, including the attached recirculation region, vortex shedding, and separated shear layers. The wake was impacted by the transition from emergent to shallow submerged flow conditions with more subtle changes in time-averaged velocity and instantaneous flow structures when the submergence increases further. Despite differences in the breakdown of the separated shear layers, vortex shedding, and the upward flow region on the leeward face (once the cone's apex is submerged), similar flow structures to cylinder flow were observed. These include an arch vortex tilted in the downstream direction and von Karman vortices in the far-wake. Spectra of velocity time series and the drag coefficient indicated that the vortex shedding was constrained by the overtopping flow layer, and thus the shedding frequency decreased as the cone's apex became submerged. Finally, the generalised flow structures in the wake of a submerged conical body are outlined.

  12. Coupled Fluid-Structure Interaction Analysis of Solid Rocket Motor with Flexible Inhibitors

    Yang, H. Q.; West, Jeff; Harris, Robert E.

    2014-01-01

    Flexible inhibitors are generally used in solid rocket motors (SRMs) as a means to control the burning of propellant. Vortices generated by the flow of propellant around the flexible inhibitors have been identified as a driving source of instabilities that can lead to thrust oscillations in launch vehicles. Potential coupling between the SRM thrust oscillations and structural vibration modes is an important risk factor in launch vehicle design. As a means to predict and better understand these phenomena, a multidisciplinary simulation capability that couples the NASA production CFD code, Loci/CHEM, with CFDRC's structural finite element code, CoBi, has been developed. This capability is crucial to the development of NASA's new space launch system (SLS). This paper summarizes the efforts in applying the coupled software to demonstrate and investigate fluid-structure interaction (FSI) phenomena between pressure waves and flexible inhibitors inside reusable solid rocket motors (RSRMs). The features of the fluid and structural solvers are described in detail, and the coupling methodology and interfacial continuity requirements are then presented in a general Eulerian-Lagrangian framework. The simulations presented herein utilize production level CFD with hybrid RANS/LES turbulence modeling and grid resolution in excess of 80 million cells. The fluid domain in the SRM is discretized using a general mixed polyhedral unstructured mesh, while full 3D shell elements are utilized in the structural domain for the flexible inhibitors. Verifications against analytical solutions for a structural model under a steady uniform pressure condition and under dynamic modal analysis show excellent agreement in terms of displacement distribution and eigenmode frequencies. The preliminary coupled results indicate that due to acoustic coupling, the dynamics of one of the more flexible inhibitors shift from its first modal frequency to the first acoustic frequency of the solid rocket motor

  13. Dispersive O+ conics observed in the plasma-sheet boundary layer with CRRES/LOMICS during a magnetic storm

    M. Wüest

    1996-06-01

    Full Text Available We present initial results from the Low-energy magnetospheric ion composition sensor (LOMICS on the Combined release and radiation effects satellite (CRRES together with electron, magnetic field, and electric field wave data. LOMICS measures all important magnetospheric ion species (H+, He++, He+, O++, O+ simultaneously in the energy range 60 eV to 45 keV, as well as their pitch-angle distributions, within the time resolution afforded by the spacecraft spin period of 30 s. During the geomagnetic storm of 9 July 1991, over a period of 42 min (0734 UT to 0816 UT the LOMICS ion mass spectrometer observed an apparent O+ conic flowing away from the southern hemisphere with a bulk velocity that decreased exponentially with time from 300 km/s to 50 km/s, while its temperature also decreased exponentially from 700 to 5 eV. At the onset of the O+ conic, intense low-frequency electromagnetic wave activity and strong pitch-angle scattering were also observed. At the time of the observations the CRRES spacecraft was inbound at L~7.5 near dusk, magnetic local time (MLT, and at a magnetic latitude of –23°. Our analysis using several CRRES instruments suggests that the spacecraft was skimming along the plasma sheet boundary layer (PSBL when the upward-flowing ion conic arrived. The conic appears to have evolved in time, both slowing and cooling, due to wave-particle interactions. We are unable to conclude whether the conic was causally associated with spatial structures of the PSBL or the central plasma sheet.

  14. Design and construction of multi-port solid state structure for the Rhodotron accelerator

    Poursaleh, A.M.; Jabbari, I.; Khalafi, H.

    2017-01-01

    RF generation and method used for coupling power to the acceleration cavity are important issues in the RF accelerators. In this study, a high power vacuum tube was replaced with several medium power solid state amplifiers coupled through a multi-port structure in the Rhodotron-TT200 accelerator. To this end, a multi-port structure was implemented on a small aluminum model cavity for 1 to 9 ports and all main parameters affecting return loss, quality factor, coupling coefficient and RF power were investigated by calculation, simulation and experimental tests. Then, three 20 kW solid state amplifiers were designed and constructed. The outputs of these amplifiers were coupled to the Rhodotron acceleration cavity by three input ports based on the results obtained from the model cavity for generation of 5 MeV electron beam. In this method, several smaller amplifiers were used instead of a single high power amplifier. As such, acceleration cavity plays the role of power combiner in addition to its primary role and there is no need to a high power combiner. The results showed that the number of ports, port positions, angle between ports and phase of input signals, significantly affect the acceleration electrical field in the cavity. Also, experimental tests revealed that three constructed RF power supplies are enough for the generation of 5 MeV electron beam in the Rhodotron accelerator. Considering the advantages of the solid state amplifiers, application of multi-port structure and solid state amplifiers could be expanded in the industrial electron accelerators.

  15. A Coupled Fluid-Structure Interaction Analysis of Solid Rocket Motor with Flexible Inhibitors

    Yang, H. Q.; West, Jeff

    2014-01-01

    A capability to couple NASA production CFD code, Loci/CHEM, with CFDRC's structural finite element code, CoBi, has been developed. This paper summarizes the efforts in applying the installed coupling software to demonstrate/investigate fluid-structure interaction (FSI) between pressure wave and flexible inhibitor inside reusable solid rocket motor (RSRM). First a unified governing equation for both fluid and structure is presented, then an Eulerian-Lagrangian framework is described to satisfy the interfacial continuity requirements. The features of fluid solver, Loci/CHEM and structural solver, CoBi, are discussed before the coupling methodology of the solvers is described. The simulation uses production level CFD LES turbulence model with a grid resolution of 80 million cells. The flexible inhibitor is modeled with full 3D shell elements. Verifications against analytical solutions of structural model under steady uniform pressure condition and under dynamic condition of modal analysis show excellent agreements in terms of displacement distribution and eigen modal frequencies. The preliminary coupled result shows that due to acoustic coupling, the dynamics of one of the more flexible inhibitors shift from its first modal frequency to the first acoustic frequency of the solid rocket motor.

  16. Adaptive Crack Modeling with Interface Solid Elements for Plain and Fiber Reinforced Concrete Structures.

    Zhan, Yijian; Meschke, Günther

    2017-07-08

    The effective analysis of the nonlinear behavior of cement-based engineering structures not only demands physically-reliable models, but also computationally-efficient algorithms. Based on a continuum interface element formulation that is suitable to capture complex cracking phenomena in concrete materials and structures, an adaptive mesh processing technique is proposed for computational simulations of plain and fiber-reinforced concrete structures to progressively disintegrate the initial finite element mesh and to add degenerated solid elements into the interfacial gaps. In comparison with the implementation where the entire mesh is processed prior to the computation, the proposed adaptive cracking model allows simulating the failure behavior of plain and fiber-reinforced concrete structures with remarkably reduced computational expense.

  17. Influence of the volume ratio of solid phase on carrying capacity of regular porous structure

    Monkova Katarina

    2017-01-01

    Full Text Available Direct metal laser sintering is spread technology today. The main advantage of this method is the ability to produce parts which have a very complex geometry and which can be produced only in very complicated way by classical conventional methods. Special category of such components are parts with porous structure, which can give to the product extraordinary combination of properties. The article deals with some aspects that influence the manufacturing of regular porous structures in spite of the fact that input technological parameters at various samples were the same. The main goal of presented research has been to investigate the influence of the volume ratio of solid phase on carrying capacity of regular porous structure. Realized tests have indicated that the unit of regular porous structure with lower volume ratio is able to carry a greater load to failure than the unit with higher volume ratio.

  18. NATO Advanced Study Institute on the Physics of Structurally Disordered Solids

    1976-01-01

    Structurally disordered solids are characterized by their lack of spatial order that is evidenced by the great variety of ordered solids. The former class of materials is commonly termed amorphous or glassy, the latter crystalline. However, both classes share, many of the other physical properties of solids, e. g. , me­ chanical stability, resistance to shear stress, etc. The traditional macroscopic distinction between the crystalline and the glassy states is that while the former has a fixed melting point, the latter does not. However, with the availability and production of a large number of materials in both crystalline and amorphous states, and their easy inter-convertability, simple de­ finitions are not possible or at best imprecise. For the present purpose, it is sufficient to say that in contrast to the crystalline state, in which the posi­ tions of atoms are fixed into adefinite structure, ex­ cept for small thermal vibrations, the amorphous state of the same material displays varying degrees of ...

  19. Application of process tomography in gas-solid fluidised beds in different scales and structures

    Wang, H. G.; Che, H. Q.; Ye, J. M.; Tu, Q. Y.; Wu, Z. P.; Yang, W. Q.; Ocone, R.

    2018-04-01

    Gas-solid fluidised beds are commonly used in particle-related processes, e.g. for coal combustion and gasification in the power industry, and the coating and granulation process in the pharmaceutical industry. Because the operation efficiency depends on the gas-solid flow characteristics, it is necessary to investigate the flow behaviour. This paper is about the application of process tomography, including electrical capacitance tomography (ECT) and microwave tomography (MWT), in multi-scale gas-solid fluidisation processes in the pharmaceutical and power industries. This is the first time that both ECT and MWT have been applied for this purpose in multi-scale and complex structure. To evaluate the sensor design and image reconstruction and to investigate the effects of sensor structure and dimension on the image quality, a normalised sensitivity coefficient is introduced. In the meantime, computational fluid dynamic (CFD) analysis based on a computational particle fluid dynamic (CPFD) model and a two-phase fluid model (TFM) is used. Part of the CPFD-TFM simulation results are compared and validated by experimental results from ECT and/or MWT. By both simulation and experiment, the complex flow hydrodynamic behaviour in different scales is analysed. Time-series capacitance data are analysed both in time and frequency domains to reveal the flow characteristics.

  20. Local structure of Th1-xMO2 solid solutions (M = U, Pu)

    Hubert, S.; Heisbourg, G.; Moisy, Ph.; Dacheux, N.; Purans, J.E.

    2004-01-01

    X-ray absorption spectroscopy of Th 1-x U x O 2 and Th 1-x Pu x O 2 solid solutions was carried out on the Th, U L 3 -edges, and Pu L 3 edge to study the local structure environment of actinide mixed oxides. Various compositions of Th 1-x M x O 2 solid solutions have been prepared through the coprecipitation of the mixed oxalates from chloride or nitrate solutions: x = 0.11, 0.24, 0.37, 0.53, 0.67, 0.81, 0.91 and 1 for Th 1-x U x O 2 , and x = 0.13, 0.32, 0.66 and 1 for Th 1-x Pu x O 2 . They were characterized using X- ray diffraction. XRD analysis allowed to confirm that the variation of the lattice parameters varies linearly with the composition between the end members, suggesting that the atomic volume was conserved regardless of the details of the local distortions of the lattice, following the Vegard's law. Extending X-ray absorption fine structure (EXAFS) provides a direct characterization of the local distortions present in solid solutions. We found that opposite to the lattice parameter obtained by XRD, the interatomic distances given by EXAFS do not follow completely to neither the Vegard's law nor the virtual crystal approximation (VCA). However, the average lattice parameter obtained from EXAFS data for the first and the second shells agrees well with the one calculated from XRD data. (authors)

  1. Analysis and Modeling of Structure Formation in Granular and Fluid-Solid Flows

    Murphy, Eric

    Granular and multiphase flows are encountered in a number of industrial processes with particular emphasis in this manuscript given to the particular applications in cement pumping, pneumatic conveying, fluid catalytic cracking, CO2 capture, and fast pyrolysis of bio-materials. These processes are often modeled using averaged equations that may be simulated using computational fluid dynamics. Closure models are then required that describe the average forces that arise from both interparticle interactions, e.g. shear stress, and interphase interactions, such as mean drag. One of the biggest hurdles to this approach is the emergence of non-trivial spatio-temporal structures in the particulate phase, which can significantly modify the qualitative behavior of these forces and the resultant flow phenomenology. For example, the formation of large clusters in cohesive granular flows is responsible for a transition from solid-like to fluid-like rheology. Another example is found in gas-solid systems, where clustering at small scales is observed to significantly lower in the observed drag. Moreover, there remains the possibility that structure formation may occur at all scales, leading to a lack of scale separation required for traditional averaging approaches. In this context, several modeling problems are treated 1) first-principles based modeling of the rheology of cement slurries, 2) modeling the mean solid-solid drag experienced by polydisperse particles undergoing segregation, and 3) modeling clustering in homogeneous gas-solid flows. The first and third components are described in greater detail. In the study on the rheology of cements, several sub-problems are introduced, which systematically increase in the number and complexity of interparticle interactions. These interparticle interactions include inelasticity, friction, cohesion, and fluid interactions. In the first study, the interactions between cohesive inelastic particles was fully characterized for the

  2. Molecular mechanics and structure of the fluid-solid interface in simple fluids

    Wang, Gerald J.; Hadjiconstantinou, Nicolas G.

    2017-09-01

    Near a fluid-solid interface, the fluid spatial density profile is highly nonuniform at the molecular scale. This nonuniformity can have profound effects on the dynamical behavior of the fluid and has been shown to play an especially important role when modeling a wide variety of nanoscale heat and momentum transfer phenomena. We use molecular-mechanics arguments and molecular-dynamics (MD) simulations to develop a better understanding of the structure of the first fluid layer directly adjacent to the solid in the layering regime, as delineated by a nondimensional number that compares the effects of wall-fluid interaction to thermal energy. Using asymptotic analysis of the Nernst-Planck equation, we show that features of the fluid density profile close to the wall, such as the areal density of the first layer ΣFL (defined as the number of atoms in this layer per unit of fluid-solid interfacial area), can be expressed as polynomial functions of the fluid average density ρave. This is found to be in agreement with MD simulations, which also show that the width of the first layer hFL is a linear function of the average density and only a weak function of the temperature T . These results can be combined to show that, for system average densities corresponding to a dense fluid (ρave≥0.7 ), the ratio C ≡ΣFLρavehFL, representing a density enhancement with respect to the bulk fluid, depends only weakly on temperature and is essentially independent of density. Further MD simulations suggest that the above results, nominally valid for large systems (solid in contact with semi-infinite fluid), also describe fluid-solid interfaces under considerable nanoconfinement, provided ρave is appropriately defined.

  3. Band structures of two dimensional solid/air hierarchical phononic crystals

    Xu, Y.L.; Tian, X.G.; Chen, C.Q.

    2012-01-01

    The hierarchical phononic crystals to be considered show a two-order “hierarchical” feature, which consists of square array arranged macroscopic periodic unit cells with each unit cell itself including four sub-units. Propagation of acoustic wave in such two dimensional solid/air phononic crystals is investigated by the finite element method (FEM) with the Bloch theory. Their band structure, wave filtering property, and the physical mechanism responsible for the broadened band gap are explored. The corresponding ordinary phononic crystal without hierarchical feature is used for comparison. Obtained results show that the solid/air hierarchical phononic crystals possess tunable outstanding band gap features, which are favorable for applications such as sound insulation and vibration attenuation.

  4. Band structures of two dimensional solid/air hierarchical phononic crystals

    Xu, Y.L.; Tian, X.G. [State Key Laboratory for Mechanical Structure Strength and Vibration, Xi' an Jiaotong University, Xi' an 710049 (China); Chen, C.Q., E-mail: chencq@tsinghua.edu.cn [Department of Engineering Mechanics, AML and CNMM, Tsinghua University, Beijing 100084 (China)

    2012-06-15

    The hierarchical phononic crystals to be considered show a two-order 'hierarchical' feature, which consists of square array arranged macroscopic periodic unit cells with each unit cell itself including four sub-units. Propagation of acoustic wave in such two dimensional solid/air phononic crystals is investigated by the finite element method (FEM) with the Bloch theory. Their band structure, wave filtering property, and the physical mechanism responsible for the broadened band gap are explored. The corresponding ordinary phononic crystal without hierarchical feature is used for comparison. Obtained results show that the solid/air hierarchical phononic crystals possess tunable outstanding band gap features, which are favorable for applications such as sound insulation and vibration attenuation.

  5. Solid-melt interface structure and growth of Cu alloy single crystals

    Tomimitsu, Hiroshi; Kamada, Kohji.

    1983-01-01

    Crystal-melt interface behavior during the growth of Cu-base solid solutions by the Bridgman method is discussed on the basis of experimental evidence obtained by neutron diffraction topography. Advantages of neutron diffraction topography for the characterization of large single crystals, such as dealt with in this paper, are emphasized. Evidence was odserved of extremely regular crystal growth along directions, irrespective of the macroscopic growth direction. This contrasts with the previously believed (110) normal growth which is a conclusion of growth theory based on molecular kinetics at the solid-melt interface. In consequence, we believe that the kinetics at the interface is a minor factor in the meltgrowth of metal single crystals. Revised melt-growth theory should include both the growth and the formation of the regular structure as evidenced by neutron diffraction topography. (author)

  6. Structural characterization of pure and doped calcium phosphate bioceramics prepared by simple solid state method

    Ahmed, S.; Kabir, H.; Nigar, F.

    2011-01-01

    Calcium Phosphate based bioceramic materials, in pure and doped forms have been successfully synthesized from egg shells by using solid-state method for the first time. Considering the diverse role of zinc and fluoride in biological functions, these two ions were chosen to develop the substituted bioceramic materials. Structural characterizations of these developed bioceramics were performed by using FTIR, XRD, SEM and EDS techniques. The results revealed that the fluoride doped apatite was formed in single phase containing hydroxyapatite while pure and Zinc doped apatites contained -TCP with hydroxyapatite. Experimental results and the crystallographic parameters matched well with the literature values indicating that the present experimental protocol favoured the formation of the desired bioceramics. However, to synthesize the (Ca (PO)) based bioceramic materials, such a simple solid-state approach would obviously be very helpful, not only in making the process economically feasible, but also in creating an effective material recycling technology for waste-management. (author)

  7. Monitoring conical intersections in the ring opening of furan by attosecond stimulated X-ray Raman spectroscopy

    Weijie Hua

    2016-03-01

    Full Text Available Attosecond X-ray pulses are short enough to capture snapshots of molecules undergoing nonadiabatic electron and nuclear dynamics at conical intersections (CoIns. We show that a stimulated Raman probe induced by a combination of an attosecond and a femtosecond pulse has a unique temporal and spectral resolution for probing the nonadiabatic dynamics and detecting the ultrafast (∼4.5 fs passage through a CoIn. This is demonstrated by a multiconfigurational self-consistent-field study of the dynamics and spectroscopy of the furan ring-opening reaction. Trajectories generated by surface hopping simulations were used to predict Attosecond Stimulated X-ray Raman Spectroscopy signals at reactant and product structures as well as representative snapshots along the conical intersection seam. The signals are highly sensitive to the changes in nonadiabatically coupled electronic structure and geometry.

  8. Local structural relaxation around Co2+ along the hardystonite-Co-åkermanite melilite solid solution

    Ardit, Matteo; Cruciani, Giuseppe; Dondi, Michele

    2012-10-01

    Six pure compounds belonging to the hardystonite (Ca2ZnSi2O7)-Co-åkermanite (Ca2CoSi2O7) solid solution were investigated by the combined application of X-ray powder diffraction and electronic absorption spectroscopy. Structural refinements of the XRPD data revealed a negative excess volume of mixing due to the single isovalent substitution of Co for Zn in the tetrahedral site. In agreement with the diffraction data, deconvolution of the optical spectra showed a progressive decreasing of the crystal field strength parameter 10 Dq moving toward the Co-åkermanite end-member, meaning that the local cobalt-oxygen bond distance, Co}}{-}{{O}}rangle^{{local}} , increased along the join with the amount of cobalt. The calculated structural relaxation coefficient around the fourfold coordinated Co2+ in the Ca2(Zn1- x Co x )Si2O7 join was ɛ = 0.69, very far from the one predicted by the Vegard's law ( ɛ = 0) and at variance with ɛ = 0.47 previously found for tetrahedrally coordinated Co2+ in gahnite-Co-aluminate spinel solid solution. This difference is consistent with the largest constraints existing on the spinel structure, based on cubic closest packing, compared to the more flexible layered melilite structure.

  9. Solid and liquid thermal expansion and structural observations in the quasicrystalline Cd84Yb16 compound

    Kramer, M.J.; Lograsso, T.A.; Sordelet, D.J.

    2010-01-01

    The structure of single-grain Cd 84 Yb 16 samples aligned along the twofold and fivefold axes has been followed from 300 to 1050 K using high-energy synchrotron X-rays. The quasicrystal phase is stable up to its melting temperature of 914 K and has a large linear thermal expansion of 37.1 ppm K -1 over this temperature range. The samples melt congruently over a temperature range of less than 1 K. The liquid is 7% less dense than the solid and, upon cooling from the melt, the quasicrystal phase directly solidifies within a 1 K interval. The amount of undercooling achieved, about 5-25 K, was dependent on the cooling rate. The total scattering function of the liquid is consistent with a dilute liquid Cd structure. These results agree with suggestions that the structure of the liquid must undergo reordering in order to form the solid phases. However, there is no compelling evidence for icosahedral short-range order in the liquid prior to the formation of the quasicrystalline structure.

  10. Analysis of the Numerical Modelling of Turbulence in the Conical Reverse-Flow Cyclone

    Inga Jakštonienė

    2011-02-01

    Full Text Available The paper describes the numerical modelling of the swirling fluid flow in the Stairmand cyclone (conical reverse-flow – CRF with tangential inlet (equipment for separating solid particles from the gaseous fluid flow. A review of experimental and theoretical papers is conducted introducing three-dimen­sional differential equations for transfer processes. The numerical modelling of the Stairmand cyclone the height of which is 0.75 m, diameter – 0.17 m, the height of a cylindrical part – 0.290 m, a conical part – 0,39 m and an inlet area is 0,085×0,032 m is presented. When governing three-dimensional fluid flow, transfer equations Navje-Stokes and Reynolds are solved using the finite volume method in a body-fitted co-ordinate system using standard k– e and RNG k– e model of turbulence. Modelling is realised for inlet velocity 4.64, 9.0 and 14.8 m/s (flow rate was 0.0112, 0.0245 and 0.0388 m3/s. The results obtained from the numerical tests have demonstrated that the RNG k– e model of turbulence yields a reasonably good prediction for highly swirling flows in cyclones: the presented numerical results (tangential and radial velocity profiles are compared with numerical and experimental data obtained by other authors. The mean relative error of ± 7,5% is found. Keywords: cyclone, solid particles, numerical modelling, turbulence, one-phase flow.DOI: 10.3846/mla.2010.085

  11. Structural and optical properties of solid-state synthesized Au dendritic structures

    Gentile, A.; Ruffino, F.; Romano, L.; Boninelli, S.; Reitano, R.; Piccitto, G.; Grimaldi, M.G.

    2014-01-01

    Graphical abstract: - Highlights: • Au dendritic structures were produced on surfaces. • The chemical and structural properties of the dendritic structures are presented. • The optical properties of the dendritic structures are presented. • The ability of the dendritic structures to serve as light scattering centers is presented. - Abstract: Au dendrites (Au Ds) are synthesized, on various substrates, by a simple physical methodology involving the deposition of a thin Au film on a Si surface followed by thermal processes at high temperatures (>1273 K) in an inert ambient (N 2 ), using fast heating and cooling rates (1273 K/min). Microscopic analyses reveal the evolution, thanks to the thermal processes, of the Au film from a continuous coating to dendritic structures covering the entire sample surface. In particular, transmission electron microscopy analyses indicate that, below the Au surface, the dendritic structures consist of Si atoms originating from the substrate. Furthermore, optical characterizations reveal the ability of the Au Ds to serve as scattering centers in the infrared region. Finally, on the basis of the experimental observations, a phenomenological model for the growth of the Au Ds is proposed

  12. PREFACE: Liquid-solid interfaces: structure and dynamics from spectroscopy and simulations Liquid-solid interfaces: structure and dynamics from spectroscopy and simulations

    Gaigeot, Marie-Pierre; Sulpizi, Marialore

    2012-03-01

    Liquid-solid interfaces play an important role in a number of phenomena encountered in biological, chemical and physical processes. Surface-induced changes of the material properties are not only important for the solid support but also for the liquid itself. In particular, it is now well established that water at the interface is substantially different from bulk water, even in the proximity of apparently inert surfaces such as a simple metal. The complex chemistry at liquid-solid interfaces is typically fundamental to heterogeneous catalysis and electrochemistry, and has become especially topical in connection with the search for new materials for energy production. A quite remarkable example is the development of cheap yet efficient solar cells, whose basic components are dye molecules grafted to the surface of an oxide material and in contact with an electrolytic solution. In life science, the most important liquid-solid interfaces are the water-cell-membrane interfaces. Phenomena occurring at the surface of phospholipid bilayers control the docking of proteins, the transmission of signals as well as transport of molecules in and out of the cell. Recently the development of bio-compatible materials has lead to research on the interface between bio-compatible material and lipid/proteins in aqueous solution. Gaining a microscopic insight into the processes occurring at liquid-solid interfaces is therefore fundamental to a wide range of disciplines. This special section collects some contributions to the CECAM Workshop 'Liquid/Solid interfaces: Structure and Dynamics from Spectroscopy and Simulations' which took place in Lausanne, Switzerland in June 2011. Our main aim was to bring together knowledge and expertise from different communities in order to advance our microscopic understanding of the structure and dynamics of liquids at interfaces. In particular, one of our ambitions was to foster discussion between the experimental and theoretical

  13. A comparison study on the performance of lower order solid finite element for elastic analysis of plate and shell structures

    Lee, Young Jung; Lee, Sang Jin; Choun, Young Sun; Seo, Jeong Moon

    2003-05-01

    The objective of this research is to assess the performance of lower order solid finite elements which will be ultimately applied into the safety analysis of nuclear containment building. For the safety analysis of large structures such as nuclear containment building, efficient lower order finite element is necessarily required to calculate the structural response of containment building with low computational cost. In this study, the state of the art formulations of lower order solid finite element are throughly reviewed and the best possible solid finite element is adopted into the development of nuclear containment analysis system. Three 8-node solid finite elements based on standard strain-displacement relationship, B-bar method and EAS method are implemented as computer modules and completely tested with various plate and shell structures. The present results can be directly applied into the analysis code development for general reinforced concrete structures

  14. Submicron hollow spot generation by solid immersion lens and structured illumination

    Kim, M-S; Scharf, T; Herzig, H P; Assafrao, A C; Wachters, A J H; Pereira, S F; Urbach, H P; Brun, M; Olivier, S; Nicoletti, S

    2012-01-01

    We report on the experimental and numerical demonstration of immersed submicron-size hollow focused spots, generated by structuring the polarization state of an incident light beam impinging on a micro-size solid immersion lens (μ-SIL) made of SiO 2 . Such structured focal spots are characterized by a doughnut-shaped intensity distribution, whose central dark region is of great interest for optical trapping of nano-size particles, super-resolution microscopy and lithography. In this work, we have used a high-resolution interference microscopy technique to measure the structured immersed focal spots, whose dimensions were found to be significantly reduced due to the immersion effect of the μ-SIL. In particular, a reduction of 37% of the dark central region was verified. The measurements were compared with a rigorous finite element method model for the μ-SIL, revealing excellent agreement between them. (paper)

  15. Electrochemical insertion in solid media of alkali cations in carbonated host structures (polyacetylene, fullerene and graphite)

    Lemont, Sylvain

    1994-01-01

    This research thesis reports the investigation of electrochemical insertion of alkali cations in different host carbon containing structures (polyacetylene, fullerene, graphite). After a recall of the main characteristics of the three considered compounds, the author reports a bibliographical survey, describes the different compounds which can be used as solid electrolytes and explains the choice of the studied compounds with respect to their phase diagrams, ionic conductivity, electrochemical stability range. He describes the experimental methods, discusses the results obtained by intercalation of alkali cations (Li + , Na + , K + ) in polyacetylene. He discusses the electrochemical and structural results obtained on intercalation compounds of lithium and sodium ions in fullerene. The structures of several phases have been obtained by electron diffraction. Preliminary studies of electron energy loss spectrometry (EELS) are reported. The last part compares the results obtained on two types of graphite: pellets and spherules [fr

  16. Optimization of the Conical Angle Design in Conical Implant-Abutment Connections: A Pilot Study Based on the Finite Element Method.

    Yao, Kuang-Ta; Chen, Chen-Sheng; Cheng, Cheng-Kung; Fang, Hsu-Wei; Huang, Chang-Hung; Kao, Hung-Chan; Hsu, Ming-Lun

    2018-02-01

    Conical implant-abutment connections are popular for their excellent connection stability, which is attributable to frictional resistance in the connection. However, conical angles, the inherent design parameter of conical connections, exert opposing effects on 2 influencing factors of the connection stability: frictional resistance and abutment rigidity. This pilot study employed an optimization approach through the finite element method to obtain an optimal conical angle for the highest connection stability in an Ankylos-based conical connection system. A nonlinear 3-dimensional finite element parametric model was developed according to the geometry of the Ankylos system (conical half angle = 5.7°) by using the ANSYS 11.0 software. Optimization algorithms were conducted to obtain the optimal conical half angle and achieve the minimal value of maximum von Mises stress in the abutment, which represents the highest connection stability. The optimal conical half angle obtained was 10.1°. Compared with the original design (5.7°), the optimal design demonstrated an increased rigidity of abutment (36.4%) and implant (25.5%), a decreased microgap at the implant-abutment interface (62.3%), a decreased contact pressure (37.9%) with a more uniform stress distribution in the connection, and a decreased stress in the cortical bone (4.5%). In conclusion, the methodology of design optimization to determine the optimal conical angle of the Ankylos-based system is feasible. Because of the heterogeneity of different systems, more studies should be conducted to define the optimal conical angle in various conical connection designs.

  17. Production of ion beam by conical pinched electron beam diode

    Matsukawa, Y.; Nakagawa, Y.

    1982-01-01

    Some properties of the ion beam produced by pinched electron beam diode having conical shape electrodes and organic insulator anode was studied. Ion energy is about 200keV and the peak diode current is about 30 kA. At 11cm from the diode apex, not the geometrical focus point, concentrated ion beam was obtained. Its density is more than 500A/cm 2 . The mean ion current density within the radius of 1.6cm around the axis from conical diode is two or three times that from an usual pinched electron beam diode with flat parallel electrodes of same dimension and impedance under the same conditions. (author)

  18. Self-Propulsion Of Catalytic Conical Micro-Swimmer

    Gallino, Giacomo; Gallaire, Francois; Lauga, Eric; Michelin, Sebastien

    2017-11-01

    Self-propelled artificial micro-motors have attracted much attention both as fundamental examples of active matter and for their potential biomedical applications (e.g. drug delivery, cell sorting). A popular design exploits the catalytic decomposition of a fuel (e.g. hydrogen peroxide) on the active surface of the motor to produce oxygen bubbles that propel the swimmer, effectively converting chemical energy into swimming motion. We focus here on a conical shape swimmer with chemically-active inner surfaces. Using numerical simulations of the chemical problem and viscous hydrodynamics, we analyze the formation, growth and motion of the bubbles inside the micro-motor and the resulting swimming motion. Our results shed light on the fundamental hydrodynamics of the propulsion of conical swimmers and may help to improve the efficiency of these machines. G.G. aknowledges support from the Swiss National Science Fundation.

  19. Helico-conical beams for generating optical twisters

    Glückstad, Jesper; Palima, Darwin; Daria, Vincent Ricardo Mancao

    2010-01-01

    charge is increased, the area where destructive interference at the centre increases thereby enlarging the light ring. The propagation along the optical axis follows a conical ray of light where the concentration of high intensities is maintained at the outskirts of the conical beam where constructive...... with an apodized helical phase front at the outskirts and linearly scaled towards no phase singularity at the centre of the beam. At the focal volume, we show that our beam fonms an intensity distribution that can be accurately described as an "optical twister" as it propagates along the optical axis. Unlike LG...... beams, an optical twister can have minimal changes in radius but with a scalable DAM. Furthenmore, we characterize the DAM in tenms of its capacity to introduce spiral motion on particles trapped along its orbit. We also show that our "optical twister" maintains a high concentration of photons...

  20. Design of high quality doped CeO2 solid electrolytes with nanohetero structure

    Mori, T.; Ou, D.R.; Ye, F.; Drennan, J.

    2006-01-01

    Doped cerium (CeO 2 ) compounds are fluorite related oxides which show oxide ionic conductivity higher than yttria-stabilized zirconia in oxidizing atmosphere. As a consequence of this, a considerable interest has been shown in application of these materials for low (400-650 o C) temperature operation of solid oxide fuel cells (SOFCs). In this paper, our experimental data about the influence of microstructure at the atomic level on electrochemical properties were reviewed in order to develop high quality doped CeO 2 electrolytes in fuel cell applications. Using this data in the present paper, our original idea for a design of nanodomain structure in doped CeO 2 electrolytes was suggested. The nanosized powders and dense sintered bodies of M doped CeO 2 (M:Sm,Gd,La,Y,Yb, and Dy) compounds were fabricated. Also nanostructural features in these specimens were introduced for conclusion of relationship between electrolytic properties and domain structure in doped CeO 2 . It is essential that the electrolytic properties in doped CeO 2 solid electrolytes reflect in changes of microstructure even down to the atomic scale. Accordingly, a combined approach of nanostructure fabrication, electrical measurement and structure characterization was required to develop superior quality doped CeO 2 electrolytes in the fuel cells. (author)

  1. Elastic waves at periodically-structured surfaces and interfaces of solids

    A. G. Every

    2014-12-01

    Full Text Available This paper presents a simple treatment of elastic wave scattering at periodically structured surfaces and interfaces of solids, and the existence and nature of surface acoustic waves (SAW and interfacial (IW waves at such structures. Our treatment is embodied in phenomenological models in which the periodicity resides in the boundary conditions. These yield zone folding and band gaps at the boundary of, and within the Brillouin zone. Above the transverse bulk wave threshold, there occur leaky or pseudo-SAW and pseudo-IW, which are attenuated via radiation into the bulk wave continuum. These have a pronounced effect on the transmission and reflection of bulk waves. We provide examples of pseudo-SAW and pseudo-IW for which the coupling to the bulk wave continuum vanishes at isloated points in the dispersion relation. These supersonic guided waves correspond to embedded discrete eigenvalues within a radiation continuum. We stress the generality of the phenomena that are exhibited at widely different scales of length and frequency, and their relevance to situations as diverse as the guiding of seismic waves in mine stopes, the metrology of periodic metal interconnect structures in the semiconductor industry, and elastic wave scattering by an array of coplanar cracks in a solid.

  2. Dispersion Corrected Structural Properties and Quasiparticle Band Gaps of Several Organic Energetic Solids.

    Appalakondaiah, S; Vaitheeswaran, G; Lebègue, S

    2015-06-18

    We have performed ab initio calculations for a series of energetic solids to explore their structural and electronic properties. To evaluate the ground state volume of these molecular solids, different dispersion correction methods were accounted in DFT, namely the Tkatchenko-Scheffler method (with and without self-consistent screening), Grimme's methods (D2, D3(BJ)), and the vdW-DF method. Our results reveal that dispersion correction methods are essential in understanding these complex structures with van der Waals interactions and hydrogen bonding. The calculated ground state volumes and bulk moduli show that the performance of each method is not unique, and therefore a careful examination is mandatory for interpreting theoretical predictions. This work also emphasizes the importance of quasiparticle calculations in predicting the band gap, which is obtained here with the GW approximation. We find that the obtained band gaps are ranging from 4 to 7 eV for the different compounds, indicating their insulating nature. In addition, we show the essential role of quasiparticle band structure calculations to correlate the gap with the energetic properties.

  3. Structure determination of helical filaments by solid-state NMR spectroscopy

    Ahmed, Mumdooh; Spehr, Johannes; König, Renate; Lünsdorf, Heinrich; Rand, Ulfert; Lührs, Thorsten; Ritter, Christiane

    2016-01-01

    The controlled formation of filamentous protein complexes plays a crucial role in many biological systems and represents an emerging paradigm in signal transduction. The mitochondrial antiviral signaling protein (MAVS) is a central signal transduction hub in innate immunity that is activated by a receptor-induced conversion into helical superstructures (filaments) assembled from its globular caspase activation and recruitment domain. Solid-state NMR (ssNMR) spectroscopy has become one of the most powerful techniques for atomic resolution structures of protein fibrils. However, for helical filaments, the determination of the correct symmetry parameters has remained a significant hurdle for any structural technique and could thus far not be precisely derived from ssNMR data. Here, we solved the atomic resolution structure of helical MAVSCARD filaments exclusively from ssNMR data. We present a generally applicable approach that systematically explores the helical symmetry space by efficient modeling of the helical structure restrained by interprotomer ssNMR distance restraints. Together with classical automated NMR structure calculation, this allowed us to faithfully determine the symmetry that defines the entire assembly. To validate our structure, we probed the protomer arrangement by solvent paramagnetic resonance enhancement, analysis of chemical shift differences relative to the solution NMR structure of the monomer, and mutagenesis. We provide detailed information on the atomic contacts that determine filament stability and describe mechanistic details on the formation of signaling-competent MAVS filaments from inactive monomers. PMID:26733681

  4. Structural and magnetic properties of a mechanochemically activated Ti-Fe2O3 solid mixture

    Cristobal, A.A.; Ramos, C.P.; Bercoff, P.G.; Conconi, S.; Aglietti, E.F.; Botta, P.M.; Lopez, J.M. Porto

    2010-01-01

    The mechanochemical effects on the reactivity and properties of a titanium/hematite powder mixture with molar ratio of 1/2 are investigated. Crystalline-phase structure, composition, hyperfine and magnetic behaviors were analyzed as a function of activation time by means of X-ray diffraction, scanning electron microscopy, Moessbauer spectroscopy and vibrating sample magnetometry. The results showed that at relatively short activation times metallic Ti reduces part of the ferric ions, yielding a complex product formed mainly by a mix of two solid solutions Fe 3-x Ti x O 4 (titanomagnetites), both with very different x values (0 < x < 1). Also metallic iron and superparamagnetic hematite particles were detected by Moessbauer spectroscopy. As the mechanical treatment extends the composition of the reactive mixture changes, prevailing in the end the solid solution with higher x value. In contrast, when these activated samples are thermally treated the fraction of the solid solution which is richer in Ti diminishes. This fact produces a significant variation of the saturation magnetization of the obtained material.

  5. Structural and optical characterization of PVA:KMnO4 based solid polymer electrolyte

    Omed Gh. Abdullah

    Full Text Available Solid polymer electrolyte films of polyvinyl alcohol (PVA doped with a different weight percent of potassium permanganate (KMnO4 were prepared by standard solution cast method. XRD and FTIR techniques were performed for structural study. Complex formation between the PVA polymer and KMnO4 salt was confirmed by Fourier transform infrared (FTIR spectroscopy. The description of crystalline nature of the solid polymer electrolyte films has been confirmed by XRD analysis. The UV-Visible absorption spectra were analyzed in terms of absorption formula for non-crystalline materials. The fundamental optical parameters such as optical band gap energy, refractive index, optical conductivity, and dielectric constants have been investigated and showed a clear dependence on the KMnO4 concentration. The observed value of optical band gap energy for pure PVA is about 6.27 eV and decreases to a value 3.12 eV for the film sample formed with 4 wt% KMnO4 salt. The calculated values of refractive index and the dielectric constants of the polymer electrolyte films increase with increasing KMnO4 content. Keywords: Solid polymer electrolyte, XRD analysis, FTIR study, Optical band gap, Dielectric constant, Refractive index

  6. CSBB-ConeExclusion, adapting structure based solution virtual screening to libraries on solid support.

    Shave, Steven; Auer, Manfred

    2013-12-23

    Combinatorial chemical libraries produced on solid support offer fast and cost-effective access to a large number of unique compounds. If such libraries are screened directly on-bead, the speed at which chemical space can be explored by chemists is much greater than that addressable using solution based synthesis and screening methods. Solution based screening has a large supporting body of software such as structure-based virtual screening tools which enable the prediction of protein-ligand complexes. Use of these techniques to predict the protein bound complexes of compounds synthesized on solid support neglects to take into account the conjugation site on the small molecule ligand. This may invalidate predicted binding modes, the linker may be clashing with protein atoms. We present CSBB-ConeExclusion, a methodology and computer program which provides a measure of the applicability of solution dockings to solid support. Output is given in the form of statistics for each docking pose, a unique 2D visualization method which can be used to determine applicability at a glance, and automatically generated PyMol scripts allowing visualization of protein atom incursion into a defined exclusion volume. CSBB-ConeExclusion is then exemplarically used to determine the optimum attachment point for a purine library targeting cyclin-dependent kinase 2 CDK2.

  7. Direct determination of the resonance properties of metallic conical nanoantennas

    Tuccio, Salvatore; Razzari, Luca; Alabastri, Alessandro; Toma, Andrea; Liberale, Carlo; De Angelis, Francesco De; Candeloro, Patrizio; Das, Gobind; Giugni, Andrea; Di Fabrizio, Enzo M.; Proietti Zaccaria, Remo

    2014-01-01

    We present a simple method that is able to predict the resonant frequencies of a metallic conical nanoantenna. The alculation is based on an integral relation that takes into account the dependence of the effective refractive index of the plasmonic mode on the cone radius. Numerical simulations retrieving the near field properties of nanocones with different lengths are also performed for comparison. The fine agreement between the two approaches demonstrates the validity of our method. © 2014 Optical Society of America.

  8. High efficiency conical scanner for earth resources applications

    Bates, J. C.; Dumas, H. J., Jr.

    1975-01-01

    A description is given of a six-arm conical scanner which was selected to provide a continuous line-of-sight scan. Two versions of the instrument are considered. The two versions differ in their weight. The weight of the heavy version is 600 lbs. A light weight design which employs beryllium and aluminum optical components weighs only 350 lbs. A multiplexer and analog-to-digital converter are to be incorporated into the design. Questions of instrument performance are also discussed.

  9. Mixed-Integer Conic Linear Programming: Challenges and Perspectives

    2013-10-01

    The novel DCCs for MISOCO may be used in branch- and-cut algorithms when solving MISOCO problems. The experimental software CICLO was developed to...perform limited, but rigorous computational experiments. The CICLO solver utilizes continuous SOCO solvers, MOSEK, CPLES or SeDuMi, builds on the open...submitted Fall 2013. Software: 1. CICLO : Integer conic linear optimization package. Authors: J.C. Góez, T.K. Ralphs, Y. Fu, and T. Terlaky

  10. Flexible solid-state supercapacitors based on carbon nanoparticles/MnO2 nanorods hybrid structure.

    Yuan, Longyan; Lu, Xi-Hong; Xiao, Xu; Zhai, Teng; Dai, Junjie; Zhang, Fengchao; Hu, Bin; Wang, Xue; Gong, Li; Chen, Jian; Hu, Chenguo; Tong, Yexiang; Zhou, Jun; Wang, Zhong Lin

    2012-01-24

    A highly flexible solid-state supercapacitor was fabricated through a simple flame synthesis method and electrochemical deposition process based on a carbon nanoparticles/MnO(2) nanorods hybrid structure using polyvinyl alcohol/H(3)PO(4) electrolyte. Carbon fabric is used as a current collector and electrode (mechanical support), leading to a simplified, highly flexible, and lightweight architecture. The device exhibited good electrochemical performance with an energy density of 4.8 Wh/kg at a power density of 14 kW/kg, and a demonstration of a practical device is also presented, highlighting the path for its enormous potential in energy management. © 2011 American Chemical Society

  11. Solid-phase synthesis of yttrium ferrites with structures of perovskite and garnet

    Tkachenko, E V; Shapovalov, A G; Aksel' rod, N L; Pazdnikov, I P [Ural' skij Gosudarstvennyj Univ., Sverdlovsk (USSR)

    1980-09-01

    The solid phase synthesis of yttrium ferrites having a perovskite- and garnet-like structure has been investigated in the temperature range from 800 to 1500 deg C and temper times of up to 80 hours by reaction zone simulation and magnetic phase analysis. It is shown that for conversion degrees d<0.15 the reactions are diffusion-controlled. The rate constants and effective diffusion in the formation of YFeO/sub 3/ and Y/sub 3/Fe/sub 5/O/sub 12/ have been determined.

  12. The Poisson equation in axisymmetric domains with conical points

    Nkemzi, B.

    2003-01-01

    This paper analyzes the application of the Fourier-finite-element method (FFEM) for the resolution of the Derichlet problem for the Poisson equation -Δu-circumflex = f-circumflex in axisymmetric domains Ω-circumflex subset of R 3 with conical points on the rotation axis. The FFEM combines the approximate Fourier method with respect to one space direction with the finite element method for the approximate calculation of the Fourier coefficients of the solution. Here, the influence of the conical points on the regularity of the Fourier coefficients of the solution is analyzed and the asymptotic behaviour of the coefficients near the conical points is described by some singularity functions and treated numerically by mesh grading in the two-dimensional meridian of Ω-circumflex. It is proved that for f-circumflex in L 2 (Ω-circumflex), the rate of convergence of the combined approximations in the Sobolev space W 2 1 (Ω-circumflex) is of the order O(h + N -1 ), where h and N represent, respectively, the parameters of the finite-element- and the Fourier-approximation, with h → 0 and n → ∞. (author)

  13. Experiments on active precision isolation with a smart conical adapter

    Li, H.; Li, H. Y.; Chen, Z. B.; Tzou, H. S.

    2016-07-01

    Based on a conical shell adaptor, an active vibration isolator for vibration control of precision payload is designed and tested in this study. Flexible piezoelectric sensors and actuators are bonded on the adaptor surface for active vibration monitoring and control. The mathematical model of a piezoelectric laminated conical shell is derived and then optimal design of the actuators is performed for the first axial vibration mode of the isolation system. A scaled conical adaptor is manufactured with four MFC actuators laminating on its outer surface. Active vibration isolation efficiency is then evaluated on a vibration shaker. The control model is built in Matlab/Simulink and programmed into the dSPACE control board. Experimental results show that, the proposed active isolator is effective in vibration suppression of payloads with the negative velocity feedback control. In contrast, the amplitude responses increase with positive feedback control. Furthermore, the amplitude responses increases when time delay is added into the control signals, and gets the maximum when the delay is close to one quarter of one cycle time.

  14. On the efficiency of conical targets for laser thermonuclear fusion

    Borovskij, A.V.; Korobkin, V.V.

    1981-01-01

    Advantages and drawbacks of conical targets (CT) for laser fusion (LF) are discussed. Possibility of the laser power reduction, laser pulse lengthening and neutron yield increase are analyzed for an ideal conical target with absolutely rigid and heat-proof walls as compared to a spherical target of the same mass. A simple theory is suggested which makes it possible to take into account an effect of walls on the fusion process in the conical target with gaseous fuel and heavy shell. Energy losses due to wall deformations and heat conduction are estimated. An influence of these effects on the neutron yield is estimated. CT used in the LF experiments are found to have serious drawbacks in comparison with spherical ones. These drawbacks are connected with the effect of walls on the processes taking place in CT. Analysis of CT, for which the effect of walls is not significant, points up some definite advantages of CT as compared with spherical one. These advantages are the possibility of laser pulse lengthening and laser power reduction in comparison with the irradiation of a sphere of an equal mass. These two positive qualities are connected with the fact that CT has large linear dimensions [ru

  15. Conical refraction in a degenerated two-crystal cascade

    Peet, V

    2016-01-01

    When a collimated light beam is passed consequently along the optic axes of two identical biaxial crystals, the conical refraction produces in the focal image plane a specific light pattern consisting of a ring and a central spot. The ring is formed due to the additive action of two crystals, while the spot results from the reversed conical refraction in such a degenerated cascade arrangement. The relative intensity of these two components depends on the azimuth angle between the orientations of the crystals about the beam axis. It is shown that this dependence arises due to the interference of pairs of waves produced by conical refraction in two crystals. If a part of these waves is blocked by polarization selection of beam components, the dependence of the light pattern on the azimuth angle vanishes. In this case, the outgoing light profile consists of a ring and a central spot with fixed intensities so that the total beam power is divided equally between these two components. Depending on the applied polarization, the central spot appears either as a restored input beam or a charge-two optical vortex. The results of numerical simulations of the effect are in a very good agreement with the experimental observations. (paper)

  16. Structural transformation in mechanosynthesized bcc Fe-Al-Si(Ge) solid solutions during heating

    Kubalova, L.M.; Sviridov, I.A.; Vasilyeva, O.Ya.; Fadeeva, V.I.

    2007-01-01

    X-ray diffractometry and Moessbauer spectroscopy study of Fe 50 Al 25 Si 25 and Fe 50 Al 25 Ge 25 alloys obtained by mechanical alloying (MA) of elementary powders was carried out. Phase transformation during heating of synthesized products was studied using differential scanning calorimetry (DSC). After 2.5 h of MA monophase alloys containing bcc Fe(Al, Ge) solid solutions Fe(Al, Si) are formed. Fe(Al, Si) is partially ordered B2 type and Fe(Al, Ge) is completely disordered. DSC curves of synthesized alloys displayed the presence of exothermal peaks caused by phase transformation. The metastable Fe(Al, Si) solid solution transformed into FeAl 1-x Si x (B2) and FeSi 1-x Al x (B20) equilibrium phases. The Fe(Al, Ge) solid solution transformed into equilibrium phases through intermediate stage of Fe 6 Ge 3 Al 2 metastable phase formation. The Fe 6 Ge 3 Al 2 phase dissociated into three equilibrium phases: FeAl 1-x Ge x (B2), χ-Fe 6 Ge 5 and η-Fe 13 (Ge, Al) 8 (B8 2 ). The structure of Fe 6 Ge 3 Al 2 was calculated by Rietveld method, the distribution of Al and Ge in the elementary cell and its parameters were calculated. Moessbauer study showed that Fe(Al, Si) and Fe(Al, Ge) solid solutions are paramagnetic. In the equilibrium state the alloy containing Si is also paramagnetic while the alloy with Ge showed ferromagnetic properties

  17. Theory and Applications of Solid-State NMR Spectroscopy to Biomembrane Structure and Dynamics

    Xu, Xiaolin

    Solid-state Nuclear Magnetic Resonance (NMR) is one of the premiere biophysical methods that can be applied for addressing the structure and dynamics of biomolecules, including proteins, lipids, and nucleic acids. It illustrates the general problem of determining the average biomolecular structure, including the motional mean-square amplitudes and rates of the fluctuations. Lineshape and relaxtion studies give us a view into the molecular properties under different environments. To help the understanding of NMR theory, both lineshape and relaxation experiments are conducted with hexamethylbezene (HMB). This chemical compound with a simple structure serves as a perfect test molecule. Because of its highly symmetric structure, its motions are not very difficult to understand. The results for HMB set benchmarks for other more complicated systems like membrane proteins. After accumulating a large data set on HMB, we also proceed to develop a completely new method of data analysis, which yields the spectral densities in a body-fixed frame revealing internal motions of the system. Among the possible applications of solid-state NMR spectroscopy, we study the light activation mechanism of visual rhodopsin in lipid membranes. As a prototype of G-protein-coupled receptors, which are a large class of membrane proteins, the cofactor isomerization is triggered by photon absorption, and the local structural change is then propagated to a large-scale conformational change of the protein. Facilitation of the binding of transducin then passes along the visual signal to downstream effector proteins like transducin. To study this process, we introduce 2H labels into the rhodopsin chromophore retinal and the C-terminal peptide of transducin to probe the local structure and dynamics of these two hotspots of the rhodopsin activation process. In addition to the examination of local sites with solid-state 2H NMR spectroscopy, wide angle X-ray scattering (WAXS) provides us the chance of

  18. α clustering with a hollow structure: Geometrical structure of α clusters from platonic solids to fullerene shape

    Tohsaki, Akihiro; Itagaki, Naoyuki

    2018-01-01

    We study α -cluster structure based on the geometric configurations with a microscopic framework, which takes full account of the Pauli principle, and which also employs an effective internucleon force including finite-range three-body terms suitable for microscopic α -cluster models. Here, special attention is focused upon the α clustering with a hollow structure; all the α clusters are put on the surface of a sphere. All the platonic solids (five regular polyhedra) and the fullerene-shaped polyhedron coming from icosahedral structure are considered. Furthermore, two configurations with dual polyhedra, hexahedron-octahedron and dodecahedron-icosahedron, are also scrutinized. When approaching each other from large distances with these symmetries, α clusters create certain local energy pockets. As a consequence, we insist on the possible existence of α clustering with a geometric shape and hollow structure, which is favored from Coulomb energy point of view. Especially, two configurations, that is, dual polyhedra of dodecahedron-icosahedron and fullerene, have a prominent hollow structure compared with the other six configurations.

  19. Probing the structure of complex solids using a distributed computing approach-Applications in zeolite science

    French, Samuel A.; Coates, Rosie; Lewis, Dewi W.; Catlow, C. Richard A.

    2011-01-01

    We demonstrate the viability of distributed computing techniques employing idle desktop computers in investigating complex structural problems in solids. Through the use of a combined Monte Carlo and energy minimisation method, we show how a large parameter space can be effectively scanned. By controlling the generation and running of different configurations through a database engine, we are able to not only analyse the data 'on the fly' but also direct the running of jobs and the algorithms for generating further structures. As an exemplar case, we probe the distribution of Al and extra-framework cations in the structure of the zeolite Mordenite. We compare our computed unit cells with experiment and find that whilst there is excellent correlation between computed and experimentally derived unit cell volumes, cation positioning and short-range Al ordering (i.e. near neighbour environment), there remains some discrepancy in the distribution of Al throughout the framework. We also show that stability-structure correlations only become apparent once a sufficiently large sample is used. - Graphical Abstract: Aluminium distributions in zeolites are determined using e-science methods. Highlights: → Use of e-science methods to search configurationally space. → Automated control of space searching. → Identify key structural features conveying stability. → Improved correlation of computed structures with experimental data.

  20. Coupled-mode theory and Fano resonances in guided-mode resonant gratings: the conical diffraction mounting.

    Bykov, Dmitry A; Doskolovich, Leonid L; Soifer, Victor A

    2017-01-23

    We study resonances of guided-mode resonant gratings in conical mounting. By developing 2D time-dependent coupled-mode theory we obtain simple approximations of the transmission and reflection coefficients. Being functions of the incident light's frequency and in-plane wave vector components, the obtained approximations can be considered as multi-variable generalizations of the Fano line shape. We show that the approximations are in good agreement with the rigorously calculated transmission and reflection spectra. We use the developed theory to investigate angular tolerances of the considered structures and to obtain mode excitation conditions. In particular, we obtain the cross-polarization mode excitation conditions in the case of conical mounting.

  1. Cuttlebone-like V2O5 Nanofibre Scaffolds - Advances in Structuring Cellular Solids

    Knöller, Andrea; Runčevski, Tomče; Dinnebier, Robert E.; Bill, Joachim; Burghard, Zaklina

    2017-02-01

    The synthesis of ceramic materials combining high porosity and permeability with good mechanical stability is challenging, as optimising the latter requires compromises regarding the first two properties. Nonetheless, significant progress can be made in this direction by taking advantage of the structural design principles evolved by nature. Natural cellular solids achieve good mechanical stability via a defined hierarchical organisation of the building blocks they are composed of. Here, we report the first synthetic, ceramic-based scaffold whose architecture closely mimics that of cuttlebone -a structural biomaterial whose porosity exceeds that of most other natural cellular solids, whilst preserving an excellent mechanical strength. The nanostructured, single-component scaffold, obtained by ice-templated assembly of V2O5 nanofibres, features a highly sophisticated and elaborate architecture of equally spaced lamellas, which are regularly connected by pillars as lamella support. It displays an unprecedented porosity of 99.8 %, complemented by an enhanced mechanical stability. This novel bioinspired, functional material not only displays mechanical characteristics similar to natural cuttlebone, but the multifunctionality of the V2O5 nanofibres also renders possible applications, including catalysts, sensors and electrodes for energy storage.

  2. Atomic scale imaging of structural changes in solid electrolyte lanthanum lithium niobate upon annealing

    Hu, Xiaobing; Fisher, Craig A.J.; Kobayashi, Shunsuke; Ikuhara, Yumi H.; Fujiwara, Yasuyuki; Hoshikawa, Keigo; Moriwake, Hiroki; Kohama, Keiichi; Iba, Hideki; Ikuhara, Yuichi

    2017-01-01

    La (1-x)/3 Li x NbO 3 (LLNbO) is a promising electrolyte material for solid-state lithium-ion batteries because it is stable in contact with Li metal and contains a high concentration of intrinsic Li-ion vacancies. One strategy for improving its ionic conductivity and making it more competitive with other solid-state Li-ion electrolytes is to disorder the Li-ion vacancies by appropriate post-synthesis heat treatment, e.g., annealing. In this study, we examine the effects of annealing on single crystals of LLNbO with Li contents x = 0.07 and 0.13 based on simultaneous atomic resolution high angle annular dark field and annular bright field imaging methods using state-of-the-art aberration corrected scanning transmission electron microscopes. It is found that La modulation within A1 layers of the cation-deficient layered perovskite structure becomes more diffuse after annealing. In addition, some La atoms move to A-site positions and O4 window positions in the nominally vacant A2 layer, while O atom columns in this layer become rumpled in the [001] p direction, indicating that the NbO 6 octahedra are more heavily distorted after annealing. The observed crystal structure differences between as-prepared and annealed single crystals explain the drop in Li-ion conductivities of LLNbO single crystals after heat treatment.

  3. Effect of Location of Delamination on Free Vibration of Cross-Ply Conical Shells

    Sudip Dey

    2012-01-01

    Full Text Available Location of delamination is a triggering parameter for structural instability of laminated composites. In this paper, a finite element method is employed to determine the effects of location of delamination on free vibration characteristics of graphite-epoxy cross-ply composite pre-twisted shallow conical shells. The generalized dynamic equilibrium equation is derived from Lagrange's equation of motion neglecting Coriolis effect for moderate rotational speeds. The formulation is exercised by using an eight noded isoparametric plate bending element based on Mindlin's theory. Multi-point constraint algorithm is utilized to ensure the compatibility of deformation and equilibrium of resultant forces and moments at the delamination crack front. The standard eigen value problem is solved by applying the QR iteration algorithm. Finite element codes are developed to obtain the numerical results concerning the effects of location of delamination, twist angle and rotational speed on the natural frequencies of cross-ply composite shallow conical shells. The mode shapes are also depicted for a typical laminate configuration. Numerical results obtained from parametric studies of both symmetric and anti-symmetric cross-ply laminates are the first known non-dimensional natural frequencies for the type of analyses carried out here.

  4. Noise characteristics and flow field of an impinging jet on a conical obstacle

    Liu, Xin; Xie, Junlong; Shu, Shuiming; Zhang, Yi, E-mail: hustxjl@163.com [School of Energy and Power Engineering, Huazhong University of Science and Technology, Wuhan, 430074 (China)

    2017-12-15

    The noise characteristics and flow field of a low-speed impinging jet on a conical obstacle have been numerically simulated using the kinetic energy transport subgrid-scale model of the large-eddy simulation method. Noise measurement is carried out to validate the proposed simulation method. The effects of the impinging distance on the development, separation and diffusion of vortices on the back of the conical obstacle are investigated. The jet structure is better preserved and the vorticity value becomes larger as the impinging distance increases. Simulation results of the noise spectrums and overall sound pressure level (OASPL) agree well with the experimental data. The noise spectrums are analyzed and combined with simulation results for the flow field. When the impinging distance is small, the main acoustic sources with the broadband characteristic consist of the dipole source produced by pressure fluctuation on the surface of the obstacle, and the quadrupole source produced by vortices. As the impinging distance increases, the quadrupole source becomes the major acoustic source with low-frequency characteristics. In addition, the OASPL of the impinging jet is obtained at different impinging distances. (paper)

  5. Crystalline structure and electrical properties of Dy1-XCaXMnO3 solid solution

    Durán, P.

    2002-12-01

    Full Text Available Solid solutions corresponding to the Dy1-xCaXMnO3 system, x=0.0 to 0.60 have been studied. The powders were prepared by solid state reaction of the corresponding oxides and carbonates. Sintered bodies were obtained by firing between 1250 and 1450ºC. All the compositions showed single-phased perovskite-type structure with orthorhombic symmetry and Space Group Pbnm. Increase of the CaO content leads to a monotonic decrease of the orthorhombicity factor b/a with the Ca2+ concentration up to x=0.60. All the solid solutions crystallised with the same O’-type orthorhombic perovskite structure such as pure DyMnO3. Electrical measurements have shown semiconducting behaviour for all the solid solutions. The room temperature conductivity increases monotonically with the CaO content. The 60/40 Ca/Dy composition showed a high value of the electrical conductivity and a correlative very low value of the activation energy. Thermally activated small polaron hopping mechanism controls the conductivity of these perovskite ceramics.Se han estudiado soluciones sólidas correspondientes al sistema Dy1-xCaxMnO3, x=0.0 a 0.60. Los polvos cerámicos fueron preparados por reacción en estado sólido de los correspondientes óxidos y carbonatos. Los materiales cerámicos se obtuvieron por sinterización entre 1250º y 1450ºC. Todas las composiciones fueron monofásicas y mostraron una estructura tipo perovskita, con simetría ortorrómbica y Grupo Espacial Pbnm. El aumento del contenido en CaO llevó a una disminución monótona del factor de ortorrombicidad, b/a. Todas las soluciones sólidas cristalizaron con el mismo tipo de estructura perovskita ortorrómbica O’, como la del compuesto puro DyMnO3. Las medidas eléctricas mostraron comportamiento semiconductor en todas las soluciones sólidas. La conductividad a temperatura ambiente aumenta monótonamente con el contenido de CaO. La composición 60/40 mostró un elevado valor de conductividad y un correlativo

  6. Structural-mechanical model of wax crystal networks—a mesoscale cellular solid approach

    Miyazaki, Yukihiro; Marangoni, Alejandro G

    2014-01-01

    Mineral waxes are widely used materials in industrial applications; however, the relationship between structure and mechanical properties is poorly understood. In this work, mineral wax-oil networks were characterized as closed-cell cellular solids, and differences in their mechanical response predicted from structural data. The systems studied included straight-chain paraffin wax (SW)-oil mixtures and polyethylene wax (PW)-oil mixtures. Analysis of cryogenic-SEM images of wax-oil networks allowed for the determination of the length (l) and thickness (t) of the wax cell walls as a function of wax mass fraction (Φ). A linear relationship between t/l and Φ (t/l ∼ Φ 0.89 ) suggested that wax-oil networks were cellular solids of the closed-cell type. However, the scaling behavior of the elastic modulus with the volume fraction of solids did not agree with theoretical predictions, yielding the same scaling exponent, μ = 0.84, for both waxes. This scaling exponent obtained from mechanical measurements could be predicted from the scaling behavior of the effective wax cell size as a function of wax mass fraction in oil obtained by cryogenic scanning electron microscopy. Microscopy studies allowed us to propose that wax-oil networks are structured as an ensemble of close-packed spherical cells filled with oil, and that it is the links between cells that yield under simple uniaxial compression. Thus, the Young’s moduli for the links between cells in SW and PW wax systems could be estimated as E L (SW) = 2.76 × 10 9 Pa and E L (PW) = 1.64 × 10 9 Pa, respectively. The structural parameter responsible for the observed differences in the mechanical strength between the two wax-oil systems is the size of the cells. Polyethylene wax has much smaller cell sizes than the straight chain wax and thus displays a higher Young’s modulus and yield stress. (papers)

  7. Edible fat structures at high solid fat concentrations: Evidence for the existence of oil-filled nanospaces

    Peyronel, Fernanda; Quinn, Bonnie; Marangoni, Alejandro G.; Pink, David A.

    2015-01-01

    We have characterized the surfaces of grain boundaries in edible oils with high solid fat content by combining ultra-small angle x-ray scattering (USAXS) with theoretical modelling and computer simulation. Our results will lead to understand the solid structures formed at the time of manufacturing fats like confectionery fats as well as pave the way for the engineering of innovative fat products. Edible fats are complex semi-solid materials where a solid structure entraps liquid oil. It was not until USAXS combined with modelling was used that the nano- to meso-structures for systems with less than 20% solids were understood. The interpretation of those results utilized models of crystalline nanoplatelets represented by rigid close-packed flat aggregates made of spheres and was allowed to aggregate using the Metropolis Monte Carlo technique. Here, we report on systems containing between 50% and 90% solids. We modelled the solid phase as being formed from seeds onto which solids condensed thereby giving rise to oil-filled nanospaces. The models predicted that the system (a) exhibits structures with fractal dimensions approximately 2, (b) a broad peak somewhat masking that slope, and (c) for smaller values of q, indications that the structures with fractal dimension approximately 2 are uniformly distributed in space. The interpretation of the experimental data was completely driven by these results. The computer simulation predictions were used in conjunction with the USAXS observations to conclude that the systems studied scattered from oil-cavities with sizes between ˜800 and ˜16 000 Å and possessed rough 2-dimensional walls.

  8. A homogenization method for the analysis of a coupled fluid-structure interaction problem with inner solid structure

    Sigrist, Jean-Francois; Laine, Christian; Broc, Daniel

    2006-01-01

    . The paper has the following contents: Introduction; A homogenization method; Validation of the method; Conclusion. In conclusion, a homogenization method has been exposed in the present paper to deal with the modal analysis of a coupled fluid-structure problem that takes into account the presence of solid inner inclusions on the fluid domain. The basic theory of the developed homogenization method has been recalled. The fluid-structure interaction is described in terms of pressure-displacement with the corrective terms taking into account the confinement effect induced by the inclusion. From the theoretical point of view, the method is furthermore demonstrated to be physically consistent in terms of total mass conservation. The method is validated on a generic 2D case, by a comparison of calculation performed on the fluid-structure system with inclusions and on the fluid-structure modified problem without inclusions. The numerical results are identical both in terms of Eigen-frequencies, Eigenmodes and modal masses. The method can be applied to the modal analysis of a nuclear reactor

  9. Structural analysis of nickel doped cerium oxide catalysts for fuel reforming in solid oxide fuel cells

    Cavendish, Rio

    As world energy demands increase, research into more efficient energy production methods has become imperative. Heterogeneous catalysis and nanoscience are used to promote chemical transformations important for energy production. These concepts are important in solid oxide fuel cells (SOFCs) which have attracted attention because of their potential to provide an efficient and environmentally favorable power generation system. The SOFC is also fuel-flexible with the ability to run directly on many fuels other than hydrogen. Internal fuel reforming directly in the anode of the SOFC would greatly reduce the cost and complexity of the device. Methane is the simplest hydrocarbon and a main component in natural gas, making it useful when testing catalysts on the laboratory scale. Nickel (Ni) and gadolinium (Gd) doped ceria (CeO 2) catalysts for potential use in the SOFC anode were synthesized with a spray drying method and tested for catalytic performance using partial oxidation of methane and steam reforming. The relationships between catalytic performance and structure were then investigated using X-ray diffraction, transmission electron microscopy, and environmental transmission electron microscopy. The possibility of solid solutions, segregated phases, and surface layers of Ni were explored. Results for a 10 at.% Ni in CeO2 catalyst reveal a poor catalytic behavior while a 20 at.% Ni in CeO2 catalyst is shown to have superior activity. The inclusion of both 10 at.% Gd and 10 at.% Ni in CeO2 enhances the catalytic performance. Analysis of the presence of Ni in all 3 samples reveals Ni heterogeneity and little evidence for extensive solid solution doping. Ni is found in small domains throughout CeO2 particles. In the 20 at.% Ni sample a segregated, catalytically active NiO phase is observed. Overall, it is found that significant interaction between Ni and CeO2 occurs that could affect the synthesis and functionality of the SOFC anode.

  10. Effect of molecular structure on fragmentation of isolated organic molecules in solid rare gas matrices

    Kobrazenko, A.V.; Sukhov, F.F.; Orlov, A.Yu.; Kovalev, G.V.; Baranova, I.A.; Feldman, V.I.

    2011-01-01

    Complete text of publication follows. Elucidation of high-energy reaction pathways in the condensed phase is an important issue for basic understanding of the radiation stability of complex organic molecules. As was shown previously, organic radical cations (RC) may undergo fragmentation or rearrangement in solid matrices due to excess energy. The probability of this process depends on both ionization potential (IP) of the molecule and molecular structure. In the present work we have studied the role of 'hot' ionic reaction channels for RC of some bifunctional compounds and alkynes. The effect of excess energy was simulated by matrix isolation method as described in detail earlier. The formation of fragmentation products was monitored by EPR and FTIR spectroscopy. In the present work it was shown that the RC of bifunctional compounds (CH 3 OCH 2 COCH 3 , CH 3 CO(CH 2 ) n COCH 3 , n 0/2) dissociated efficiently producing · CH 3 radicals upon irradiation in solid argon matrix at T ≤ 16 K. The probability of fragmentation decreases with decrease of excess energy by switching from Ar to Xe. It is worth noting that acetone RC does not show fragmentation under these conditions. Thus, bifunctional molecules were found to be less stable to 'hot' ionic fragmentation in low-temperature solids in comparison with simple prototype carbonyl compounds. In the case of alkynes of the R-C ≡ CH type, a noticeable yield of fragmentation products was observed when R = -C(CH 3 ) 3 , but it was negligible for R = -CH 3 . It means that the presence of triple bond stabilizes the molecular skeleton of linear alkynes toward 'hot' fragmentation, similarly as it was shown for alkenes. The mechanisms of 'hot' reactions and excess energy relaxation are discussed. This work was supported by the Russian Foundation for Basic Research (project 09-03-00848a).

  11. Crystal structure and tautomerism of Pigment Yellow 138 determined by X-ray powder diffraction and solid-state NMR

    Gumbert, Silke D.; Körbitzer, Meike; Alig, Edith

    2016-01-01

    The crystal structure of C.I. Pigment Yellow 138 was determined from X-ray powder diffraction data using real-space methods with subsequent Rietveld refinements. The tautomeric state was investigated by solid-state 1D and 2D multinuclear NMR experiments. In the crystals, the compound exhibits...... the NH-tautomer with a hydrogen atom situated at the nitrogen of the quinoline moiety. Direct evidence of the presence of the NH-tautomer is provided by 1H–14N HMQC solid-state NMR at very fast MAS. Solid-state dispersion-corrected density functional theory calculations with BLYP-D3 confirm...

  12. Generation of attosecond electron packets via conical surface plasmon electron acceleration

    Greig, S. R.; Elezzabi, A. Y.

    2016-01-01

    We present a method for the generation of high kinetic energy attosecond electron packets via magnetostatic and aperture filtering of conical surface plasmon (SP) accelerated electrons. The conical SP waves are excited by coupling an ultrafast radially polarized laser beam to a conical silica lens coated with an Ag film. Electromagnetic and particle tracking models are employed to characterize the ultrafast electron packets. PMID:26764129

  13. Effect of molecular structure on fragmentation of isolated organic molecules in solid rare gas matrices

    Kobzarenko, A.V.; Sukhov, F.F.; Orlov, A.Yu.; Kovalev, G.V.; Baranova, I.A.; Feldman, V.I.

    2012-01-01

    The effect of excess energy on the primary radical cations of bifunctional carbonyl compounds and aliphatic alkynes was simulated by matrix isolation method using rare gas matrices with various ionization potentials. The formation of fragmentation products was monitored by EPR and FTIR spectroscopy. It was shown that the radical cations of bifunctional compounds (CH 3 OCH 2 COCH 3 and CH 3 COCOCH 3 ) dissociated effectively yielding · CH 3 radicals upon irradiation in solid argon matrix at T≤16 K. In addition to isolated methyl radicals, the radical pairs consisting of two methyl radicals separated by two CO molecules were detected in the case of diacetyl. The probability of fragmentation decreases with the decreasing excess energy by switching from Ar to Xe. In general, bifunctional molecules were found to be less stable to “hot” ionic fragmentation in low-temperature solids in comparison with simple prototype compounds. In the case of alkynes of the R--C≡CH type, a noticeable yield of fragmentation products was observed when R=–C(CH 3 ) 3 , but it was negligible for R=–CH 3 . The mechanisms of “hot” reactions and excess energy relaxation are discussed. - Highlights: ► Radiolysis of bifunctional organic compounds and alkynes. ► Dependence of “hot” fragmentation probability from molecular structure. ► Ions of bifunctional compounds are less stable than those of monofunctional ones. ► Alkynes are rather stable to “hot” fragmentation.

  14. Structure and dynamics of cationic membrane peptides and proteins: Insights from solid-state NMR

    Hong, Mei; Su, Yongchao

    2011-01-01

    Many membrane peptides and protein domains contain functionally important cationic Arg and Lys residues, whose insertion into the hydrophobic interior of the lipid bilayer encounters significant energy barriers. To understand how these cationic molecules overcome the free energy barrier to insert into the lipid membrane, we have used solid-state NMR spectroscopy to determine the membrane-bound topology of these peptides. A versatile array of solid-state NMR experiments now readily yields the conformation, dynamics, orientation, depth of insertion, and site-specific protein–lipid interactions of these molecules. We summarize key findings of several Arg-rich membrane peptides, including β-sheet antimicrobial peptides, unstructured cell-penetrating peptides, and the voltage-sensing helix of voltage-gated potassium channels. Our results indicate the central role of guanidinium-phosphate and guanidinium-water interactions in dictating the structural topology of these cationic molecules in the lipid membrane, which in turn account for the mechanisms of this functionally diverse class of membrane peptides. PMID:21344534

  15. Development of layered anode structures supported over Apatite-type Solid Electrolytes

    Pandis P.

    2016-01-01

    Full Text Available Apatite-type lanthanum silicates (ATLS materials have attracted interest in recent literature as solid electrolytes for SOFCs. The fabrication of an ATLS based fuel cell with the state-of-art electrodes (NiO/YSZ as anode and LSCF or LSM as cathode can show degradation after long operation hours due to Si diffusion mainly towards the anode. In this work, we report a “layer-by-layer anodic electrodes” fabrication by means of spin coating and physical spraying. The overall aim of this work is the successful fabrication of such a layered structure including suitable blocking layers towards the inhibition of Si interdiffusion from the apatite electrolyte to the anode. The results showed that the deposition of 3 layers of LFSO/GDC (3μm, NiO/GDC (4μm and the final NiO/YSZ anode layer provided a stable half-cell, with no solid state reaction occurring among the electrodes and no Si diffusion observed towards the anode after thermal treatment at 800°C for 120h.

  16. Generalized probabilistic theories and conic extensions of polytopes

    Fiorini, Samuel; Massar, Serge; Patra, Manas K.; Tiwary, Hans Raj

    2015-01-01

    Generalized probabilistic theories (GPT) provide a general framework that includes classical and quantum theories. It is described by a cone C and its dual C*. We show that whether some one-way communication complexity problems can be solved within a GPT is equivalent to the recently introduced cone factorization of the corresponding communication matrix M. We also prove an analogue of Holevo's theorem: when the cone C is contained in {{{R}}n}, the classical capacity of the channel realized by sending GPT states and measuring them is bounded by log n. Polytopes and optimising functions over polytopes arise in many areas of discrete mathematics. A conic extension of a polytope is the intersection of a cone C with an affine subspace whose projection onto the original space yields the desired polytope. Extensions of polytopes can sometimes be much simpler geometric objects than the polytope itself. The existence of a conic extension of a polytope is equivalent to that of a cone factorization of the slack matrix of the polytope, on the same cone. We show that all 0/1 polytopes whose vertices can be recognized by a polynomial size circuit, which includes as a special case the travelling salesman polytope and many other polytopes from combinatorial optimization, have small conic extension complexity when the cone is the completely positive cone. Using recent exponential lower bounds on the linear extension complexity of polytopes, this provides an exponential gap between the communication complexity of GPT based on the completely positive cone and classical communication complexity, and a conjectured exponential gap with quantum communication complexity. Our work thus relates the communication complexity of generalizations of quantum theory to questions of mainstream interest in the area of combinatorial optimization.

  17. Generalized probabilistic theories and conic extensions of polytopes

    Fiorini, Samuel; Massar, Serge; Patra, Manas K; Tiwary, Hans Raj

    2015-01-01

    Generalized probabilistic theories (GPT) provide a general framework that includes classical and quantum theories. It is described by a cone C and its dual C*. We show that whether some one-way communication complexity problems can be solved within a GPT is equivalent to the recently introduced cone factorization of the corresponding communication matrix M. We also prove an analogue of Holevo's theorem: when the cone C is contained in R n , the classical capacity of the channel realized by sending GPT states and measuring them is bounded by logn. Polytopes and optimising functions over polytopes arise in many areas of discrete mathematics. A conic extension of a polytope is the intersection of a cone C with an affine subspace whose projection onto the original space yields the desired polytope. Extensions of polytopes can sometimes be much simpler geometric objects than the polytope itself. The existence of a conic extension of a polytope is equivalent to that of a cone factorization of the slack matrix of the polytope, on the same cone. We show that all 0/1 polytopes whose vertices can be recognized by a polynomial size circuit, which includes as a special case the travelling salesman polytope and many other polytopes from combinatorial optimization, have small conic extension complexity when the cone is the completely positive cone. Using recent exponential lower bounds on the linear extension complexity of polytopes, this provides an exponential gap between the communication complexity of GPT based on the completely positive cone and classical communication complexity, and a conjectured exponential gap with quantum communication complexity. Our work thus relates the communication complexity of generalizations of quantum theory to questions of mainstream interest in the area of combinatorial optimization. (paper)

  18. Design of spheromak injector using conical accelerator for large helical device

    Miyazawa, J.; Yamada, H.; Yasui, K.; Kato, S. [National Inst. for Fusion Science, Toki, Gifu (Japan); Fukumoto, N.; Nagata, M.; Uyama, T. [Himeji Inst. of Tech., Hyogo (Japan)

    1999-11-01

    Optimization of CT injector for LHD has been carried out and conical electrode for adiabatic CT compression is adopted in the design. Point-model of CT acceleration in a co-axial electrode is solved to optimize the electrode geometry and the power supplies. Large acceleration efficiency of 34% is to be obtained with 3.2 m long conical accelerator and 40 kV - 42 kJ power supply. The operation scenario of a CT injector named SPICA mk. I (SPheromak Injector using Conical Accelerator) consisting of 0.8 m conical accelerator is discussed based on this design. (author)

  19. Elaboration of the technology of forming a conical product of sheet metal

    W. Matysiak

    2010-01-01

    Full Text Available The work presents a general knowledge about spinning draw pieces of sheets, one of multi-operational processes of spinning a sheet metal conical product without machining. The objective of the work was to elaborate both the technology of forming conical products of sheet metal and execution of technological tests as well as to determine the technological parameters for the process of spinning a conical insert. As a result of the investigations, the products with improved mechanical properties, stricter execution tolerance and low roughness have been obtained. The series of 200 prototype conical inserts for the shipbuilding industry have been made.

  20. Conical pinched electron beam diode for intense ion beam source

    Matsukawa, Yoshinobu; Nakagawa, Yoshiro

    1982-01-01

    For the purpose of improvement of the pinched electron beam diode, the production of an ion beam by a diode with electrodes in a conical shape was studied at low voltage operation (--200 kV). The ion beam is emitted from a small region of the diode apex. The mean ion beam current density near the axis at 12 cm from the diode apex is two or three times that from an usual flat parallel diode with the same dimension and impedance. The brightness and the power brightness at the otigin are 450 MA/cm 2 sr and 0.12 TW/cm 2 sr respectively. (author)

  1. Conical flow near singular rays. [shock generation in ideal gas

    Zahalak, G. I.; Myers, M. K.

    1974-01-01

    The steady flow of an ideal gas past a conical body is investigated by the method of matched asymptotic expansions, with particular emphasis on the flow near the singular ray occurring in linearized theory. The first-order problem governing the flow in this region is formulated, leading to the equation of Kuo, and an approximate solution is obtained in the case of compressive flow behind the main front. This solution is compared with the results of previous investigations with a view to assessing the applicability of the Lighthill-Whitham theories.

  2. Interference of conically scattered light in surface plasmon resonance.

    Webster, Aaron; Vollmer, Frank

    2013-02-01

    Surface plasmon polaritons on thin metal films are a well studied phenomena when excited using prism coupled geometries such as the Kretschmann attenuated total reflection configuration. Here we describe a novel interference pattern in the conically scattered light emanating from such a configuration when illuminated by a focused beam. We observe conditions indicating only self-interference of scattered surface plasmon polaritions without any contributions from specular reflection. The spatial evolution of this field is described in the context of Fourier optics and has applications in highly sensitive surface plasmon based biosensing.

  3. Simple atom trap in a conical hollow mirror: Numerical analysis

    Kim, J. A.; Lee, K. I.; Nha, H.; Noh, H. R.; Yoo, S. H.; Jhe, W

    1996-01-01

    We analyze the trap dynamic in a conical hollow (axicon) mirror system. Atom's trajectory is ring shaped if we move the coil (magnetic field) axis off the mirror axis and if we overlap these two axes trap cloud is ball shaped and it is consistent with experiment. We also make a simple comparison between 6-beam MOT and axicon MOT in the ball shaped case, and it shows that at low velocity limit the axicon MOT and typical 6-beam MOT have nearly same trap properties. The axicon trap may be useful as precooled atom source for many other atomic physics experiments such as cold atomic beam, atom funnel, and atom waveguide.

  4. Spatiotemporal dynamics of underwater conical shock wave focusing

    Hoffer, Petr; Lukeš, Petr; Akiyama, H.; Hosseini, H.

    2017-01-01

    Roč. 27, č. 4 (2017), s. 685-690 ISSN 0938-1287 Grant - others:Rada Programu interní podpory projektů mezinárodní spolupráce AV ČR(CZ) M100431203 Program:M Institutional support: RVO:61389021 Keywords : Underwater shock wave focusing * multichannel * electrohydraulic discharge * conical shock wave reflection * medical application Subject RIV: BI - Acoustics OBOR OECD: Applied mechanics Impact factor: 1.107, year: 2016 https://link.springer.com/article/10.1007/s00193-016-0703-7

  5. Structural parameters of polyethylenes obtained using a palladium catalyst: dilute solution and solid state studies

    Meneghetti, Simoni Plentz; Lutz, Pierre J.; Duval, M.; Kress, Jacky; Lapp, A.

    2001-01-01

    Polyethylenes were obtained using palladium catalyst [(Ar N=C(Me)-C(Me)=N Ar) Pd(CH 2 ) 3 (COOMe)] + BAr' 4 - (VERSIPOL TM ); Ar2,6-i-Pr 2 -C 6 H 3 and Ar'3,5-(CF 3 ) 2 -C 6 H 3 . The combination of dilute solution and solid state characterization of these polyethylenes revealed strong differences between structural parameters of samples prepared under almost identical conditions except ethylene pressure (6, 3 and 1 bar). These differences can be explained by the fact that samples prepared at 6 bar are almost linear, with only a few short branches, whereas those synthesized at 1 bar are highly branched or even hyper branched. (author)

  6. Performance of a novel type of electrolyte-supported solid oxide fuel cell with honeycomb structure

    Ruiz-Morales, Juan Carlos; Savvin, Stanislav N.; Nunez, Pedro [Departmento de Quimica Inorganica, Universidad de La Laguna, 38200 Tenerife (Spain); Marrero-Lopez, David [Departamento de Fisica Aplicada I, Universidad de Malaga, 29071 Malaga (Spain); Pena-Martinez, Juan; Canales-Vazquez, Jesus [Instituto de Energias Renovables-Universidad de Castilla la Mancha, 02006 Albacete (Spain); Roa, Joan Josep; Segarra, Merce [DIOPMA, Departamento de Ciencia de los Materiales e Ing. Metalurgica, 08028 Barcelona (Spain)

    2010-01-15

    A novel design, alternative to the conventional electrolyte-supported solid oxide fuel cell (SOFC) is presented. In this new design, a honeycomb-electrolyte is fabricated from hexagonal cells, providing high mechanical strength to the whole structure and supporting the thin layer used as electrolyte of a SOFC. This new design allows a reduction of {proportional_to}70% of the electrolyte material and it renders modest performances over 320 mW cm{sup -2} but high volumetric power densities, i.e. 1.22 W cm{sup -3} under pure CH{sub 4} at 900 C, with a high OCV of 1.13 V, using the standard Ni-YSZ cermet as anode, Pt as cathode material and air as the oxidant gas. (author)

  7. Structural optimization of an alternate design for the Space Shuttle solid rocket booster field joint

    Barthelemy, Jean-Francois M.; Rogers, James L., Jr.; Chang, Kwan J.

    1987-01-01

    A structural optimization procedure is used to determine the shape of an alternate design for the Shuttle's solid rocket booster field joint. In contrast to the tang and clevis design of the existing joint, this alternate design consists of two flanges bolted together. Configurations with 150 studs of 1 1/8 in diameter and 135 studs of 1 3/16 in diameter are considered. Using a nonlinear programming procedure, the joint weight is minimized under constraints on either von Mises or maximum normal stresses, joint opening and geometry. The procedure solves the design problem by replacing it by a sequence of approximate (convex) subproblems; the pattern of contact between the joint halves is determined every few cycles by a nonlinear displacement analysis. The minimum weight design has 135 studs of 1 3/16 in diameter and is designed under constraints on normal stresses. It weighs 1144 lb per joint more than the current tang and clevis design.

  8. Lightweight structural design of a bolted case joint for the space shuttle solid rocket motor

    Dorsey, John T.; Stein, Peter A.; Bush, Harold G.

    1988-01-01

    The structural design of a bolted joint with a static face seal which can be used to join Space Shuttle Solid Rocket Motor (SRM) case segments is given. Results from numerous finite element parametric studies indicate that the bolted joint meets the design requirement of preventing joint opening at the O-ring locations during SRM pressurization. A final design recommended for further development has the following parameters: 180 one-in.-diam. studs, stud centerline offset of 0.5 in radially inward from the shell wall center line, flange thickness of 0.75 in, bearing plate thickness of 0.25 in, studs prestressed to 70 percent of ultimate load, and the intermediate alcove. The design has a mass penalty of 1096 lbm, which is 164 lbm greater than the currently proposed capture tang redesign.

  9. The structure of the solid-liquid interface: atomic size effect

    Geysermans, P.; Pontikis, V.

    2002-01-01

    The atomic structure of the solid-liquid heterophase interface was investigated by using molecular dynamics. Two kinds of systems were studied; the first one was crystalline copper with (100) and (111) surface terminations in contact with liquid aluminium, while in the second one the interface was modelled by two systems in contact made of Lennard-Jones particles with different size (σ) and energy (ε) parameters. We found that at the interface the liquid was layered whatever the crystallographic orientation of the surface. The layering of the liquid is still preserved when the ratio of particles sites (χ=σ 1 /σ 2 ) changes while an epitaxial relationship is always found between the crystal and the first liquid layer. The average density of the latter is closely related to the χ value. (authors)

  10. Syntheses and a Solid State Structure of a Dinuclear Molybdenum(V Complex with Pyridine

    Jon Zubieta

    2010-01-01

    Full Text Available A mononuclear complex [MoOCl4(H2O]− readily forms a metal−metal bonded {Mo2O4}2+ core. A high content of pyridine in the reaction mixture prevents further aggregation of dinuclear cores into larger clusters and a neutral, dinuclear complex with the [Mo2O4Cl2(Py4] composition is isolated as a product. Solid state structures of two compounds containing this complex, [Mo2O4Cl2(Py4]·2.25Py (1 and [Mo2O4Cl2(Py4]·1.5PyHCl (2, were investigated by X-ray crystallography.

  11. The structure of poly(carbonsuboxide) on the atomic scale: a solid-state NMR study.

    Schmedt auf der Günne, Jörn; Beck, Johannes; Hoffbauer, Wilfried; Krieger-Beck, Petra

    2005-07-18

    In this contribution we present a study of the structure of amorphous poly(carbonsuboxide) (C3O2)x by 13C solid-state NMR spectroscopy supported by infrared spectroscopy and chemical analysis. Poly(carbonsuboxide) was obtained by polymerization of carbonsuboxide C3O2, which in turn was synthesized from malonic acid bis(trimethylsilylester). Two different 13C labeling schemes were applied to probe inter- and intramonomeric bonds in the polymer by dipolar solid-state NMR methods and also to allow quantitative 13C MAS NMR spectra. Four types of carbon environments can be distinguished in the NMR spectra. Double-quantum and triple-quantum 2D correlation experiments were used to assign the observed peaks using the through-space and through-bond dipolar coupling. In order to obtain distance constraints for the intermonomeric bonds, double-quantum constant-time experiments were performed. In these experiments an additional filter step was applied to suppress contributions from not directly bonded 13C,13C spin pairs. The 13C NMR intensities, chemical shifts, connectivities and distances gave constraints for both the polymerization mechanism and the short-range order of the polymer. The experimental results were complemented by bond lengths predicted by density functional theory methods for several previously suggested models. Based on the presented evidence we can unambiguously exclude models based on gamma-pyronic units and support models based on alpha-pyronic units. The possibility of planar ladder- and bracelet-like alpha-pyronic structures is discussed.

  12. Breaking the solid ground of common sense: undoing "structure" with Michael Balint.

    Bonomi, Carlo

    2003-09-01

    Balint's great merit was to question what, in the classical perspective, was assumed as a prerequisite for analysis and thus located beyond analysis: the maturity of the ego. A fundamental premise of his work was Ferenczi's distrust for the structural model, which praised the maturity of the ego and its verbal, social, and adaptive abilities. Ferenczi's view of ego maturation as a trauma derivative was strikingly different from the theories of all other psychoanalytic schools and seems to be responsible for Balint's understanding of regression as a sort of inverted process that enables the undoing of the sheltering structures of the mature mind. Balint's understanding of the relation between mature ego and regression diverged not only from the ego psychologists, who emphasized the idea of therapeutic alliance, but also from most of the authors who embraced the object-relational view, like Klein (who considered regression a manifestation of the patient's craving for oral gratification), Fairbairn (who gave up the notion of regression), and Guntrip (who viewed regression as a schizoid phenomenon related to the ego weakness). According to Balint, the clinical appearance of a regression would "depend also on the way the regression is recognized, is accepted, and is responded to by the analyst." In this respect, his position was close to Winnicott's reformulation of the therapeutic action. Yet, the work of Balint reflects the persuasion that the progressive fluidification of the solid structure could be enabled only by the analyst's capacity for becoming himself or herself [unsolid].

  13. Two-dimensional phase separated structures of block copolymers on solids

    Sen, Mani; Jiang, Naisheng; Endoh, Maya; Koga, Tadanori; Ribbe, Alexander

    The fundamental, yet unsolved question in block copolymer (BCP) thin films is the self-organization process of BCPs at the solid-polymer melt interface. We here focus on the self-organization processes of cylinder-forming polystyrene-block-poly (4-vinylpyridine) diblock copolymer and lamellar-forming poly (styrene-block-butadiene-block-styrene) triblock copolymer on Si substrates as model systems. In order to reveal the buried interfacial structures, the following experimental protocols were utilized: the BCP monolayer films were annealed under vacuum at T>Tg of the blocks (to equilibrate the melts); vitrification of the annealed BCP films via rapid quench to room temperature; subsequent intensive solvent leaching (to remove unadsorbed chains) with chloroform, a non-selective good solvent for the blocks. The strongly bound BCP layers were then characterized by using atomic force microscopy, scanning electron microscopy, grazing incidence small angle X-ray scattering, and X-ray reflectivity. The results showed that both blocks lie flat on the substrate, forming the two-dimensional, randomly phase-separated structure irrespective of their microdomain structures and interfacial energetics. Acknowledgement of financial support from NSF Grant (CMMI -1332499).

  14. Atomic Scale Structural Studies of Macromolecular Assemblies by Solid-state Nuclear Magnetic Resonance Spectroscopy.

    Loquet, Antoine; Tolchard, James; Berbon, Melanie; Martinez, Denis; Habenstein, Birgit

    2017-09-17

    Supramolecular protein assemblies play fundamental roles in biological processes ranging from host-pathogen interaction, viral infection to the propagation of neurodegenerative disorders. Such assemblies consist in multiple protein subunits organized in a non-covalent way to form large macromolecular objects that can execute a variety of cellular functions or cause detrimental consequences. Atomic insights into the assembly mechanisms and the functioning of those macromolecular assemblies remain often scarce since their inherent insolubility and non-crystallinity often drastically reduces the quality of the data obtained from most techniques used in structural biology, such as X-ray crystallography and solution Nuclear Magnetic Resonance (NMR). We here present magic-angle spinning solid-state NMR spectroscopy (SSNMR) as a powerful method to investigate structures of macromolecular assemblies at atomic resolution. SSNMR can reveal atomic details on the assembled complex without size and solubility limitations. The protocol presented here describes the essential steps from the production of 13 C/ 15 N isotope-labeled macromolecular protein assemblies to the acquisition of standard SSNMR spectra and their analysis and interpretation. As an example, we show the pipeline of a SSNMR structural analysis of a filamentous protein assembly.

  15. Reconstruction of structure and function in tissue engineering of solid organs: Toward simulation of natural development based on decellularization.

    Zheng, Chen-Xi; Sui, Bing-Dong; Hu, Cheng-Hu; Qiu, Xin-Yu; Zhao, Pan; Jin, Yan

    2018-04-27

    Failure of solid organs, such as the heart, liver, and kidney, remains a major cause of the world's mortality due to critical shortage of donor organs. Tissue engineering, which uses elements including cells, scaffolds, and growth factors to fabricate functional organs in vitro, is a promising strategy to mitigate the scarcity of transplantable organs. Within recent years, different construction strategies that guide the combination of tissue engineering elements have been applied in solid organ tissue engineering and have achieved much progress. Most attractively, construction strategy based on whole-organ decellularization has become a popular and promising approach, because the overall structure of extracellular matrix can be well preserved. However, despite the preservation of whole structure, the current constructs derived from decellularization-based strategy still perform partial functions of solid organs, due to several challenges, including preservation of functional extracellular matrix structure, implementation of functional recellularization, formation of functional vascular network, and realization of long-term functional integration. This review overviews the status quo of solid organ tissue engineering, including both advances and challenges. We have also put forward a few techniques with potential to solve the challenges, mainly focusing on decellularization-based construction strategy. We propose that the primary concept for constructing tissue-engineered solid organs is fabricating functional organs based on intact structure via simulating the natural development and regeneration processes. Copyright © 2018 John Wiley & Sons, Ltd.

  16. Photonic bandgap narrowing in conical hollow core Bragg fibers

    Ozturk, Fahri Emre; Yildirim, Adem; Kanik, Mehmet [UNAM-National Nanotechnology Research Center, Bilkent University, 06800 Ankara (Turkey); Institute of Materials Science and Nanotechnology, Bilkent University, 06800 Ankara (Turkey); Bayindir, Mehmet, E-mail: bayindir@nano.org.tr [UNAM-National Nanotechnology Research Center, Bilkent University, 06800 Ankara (Turkey); Institute of Materials Science and Nanotechnology, Bilkent University, 06800 Ankara (Turkey); Department of Physics, Bilkent University, 06800 Ankara (Turkey)

    2014-08-18

    We report the photonic bandgap engineering of Bragg fibers by controlling the thickness profile of the fiber during the thermal drawing. Conical hollow core Bragg fibers were produced by thermal drawing under a rapidly alternating load, which was applied by introducing steep changes to the fiber drawing speed. In conventional cylindrical Bragg fibers, light is guided by omnidirectional reflections from interior dielectric mirrors with a single quarter wave stack period. In conical fibers, the diameter reduction introduced a gradient of the quarter wave stack period along the length of the fiber. Therefore, the light guided within the fiber encountered slightly smaller dielectric layer thicknesses at each reflection, resulting in a progressive blueshift of the reflectance spectrum. As the reflectance spectrum shifts, longer wavelengths of the initial bandgap cease to be omnidirectionally reflected and exit through the cladding, which narrows the photonic bandgap. A narrow transmission bandwidth is particularly desirable in hollow waveguide mid-infrared sensing schemes, where broadband light is coupled to the fiber and the analyte vapor is introduced into the hollow core to measure infrared absorption. We carried out sensing simulations using the absorption spectrum of isopropyl alcohol vapor to demonstrate the importance of narrow bandgap fibers in chemical sensing applications.

  17. Numerical Study of Motion of Falling Conical Graupel

    Chueh, Chih-Che; Wang, Pao K.; Hashino, Tempei

    2018-01-01

    In the present study, the attitudes of freely-falling conical graupel with a realistic range of densities are investigated numerically by solving the transient Navier-Stokes equations and the body dynamics equations representing the 6-degrees-of-freedom motion. This framework allows us to determine the position and orientation of the graupel in response to the hydrodynamic force of the flow fields. The results show more significant horizontal movements than those cases with a fixed bulk density of ice assumed in our previous study. This is because the real graupel particles possess the density less than the bulk density of ice, which, in turn, leads to a relatively small mass and a relatively small set of moments of inertia. We demonstrate that, with the six degrees of freedom considered together, when Reynolds number is small, a typical damped oscillation occurs, whereas when Reynolds number is high, amplifying oscillation may occur which leads to more complicated and unpredictable flying attitudes such as tumbling. The drag coefficients obtained in the present study agree with the previous studies and can be approximated by that of spheres of the same Reynolds numbers. We also show that conical graupel can perform significant horizontal translations which can be on the order of 1 km in 1 h.

  18. Fatigue induced changes in conical implant-abutment connections.

    Blum, Kai; Wiest, Wolfram; Fella, Christian; Balles, Andreas; Dittmann, Jonas; Rack, Alexander; Maier, Dominik; Thomann, Ralf; Spies, Benedikt Christopher; Kohal, Ralf Joachim; Zabler, Simon; Nelson, Katja

    2015-11-01

    Based on the current lack of data and understanding of the wear behavior of dental two-piece implants, this study aims for evaluating the microgap formation and wear pattern of different implants in the course of cyclic loading. Several implant systems with different conical implant-abutment interfaces were purchased. The implants were first evaluated using synchrotron X-ray high-resolution radiography (SRX) and scanning electron microscopy (SEM). The implant-abutment assemblies were then subjected to cyclic loading at 98N and their microgap was evaluated after 100,000, 200,000 and 1 million cycles using SRX, synchrotron micro-tomography (μCT). Wear mechanisms of the implant-abutment connection (IAC) after 200,000 cycles and 1 million cycles were further characterized using SEM. All implants exhibit a microgap between the implant and abutment prior to loading. The gap size increased with cyclic loading with its changes being significantly higher within the first 200,000 cycles. Wear was seen in all implants regardless of their interface design. The wear pattern comprised adhesive wear and fretting. Wear behavior changed when a different mounting medium was used (brass vs. polymer). A micromotion of the abutment during cyclic loading can induce wear and wear particles in conical dental implant systems. This feature accompanied with the formation of a microgap at the IAC is highly relevant for the longevity of the implants. Copyright © 2015 Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved.

  19. Novel methodology for wide-ranged multistage morphing waverider based on conical theory

    Liu, Zhen; Liu, Jun; Ding, Feng; Xia, Zhixun

    2017-11-01

    This study proposes the wide-ranged multistage morphing waverider design method. The flow field structure and aerodynamic characteristics of multistage waveriders are also analyzed. In this method, the multistage waverider is generated in the same conical flowfield, which contains a free-stream surface and different compression-stream surfaces. The obtained results show that the introduction of the multistage waverider design method can solve the problem of aerodynamic performance deterioration in the off-design state and allow the vehicle to always maintain the optimal flight state. The multistage waverider design method, combined with transfiguration flight strategy, can lead to greater design flexibility and the optimization of hypersonic wide-ranged waverider vehicles.

  20. Probing membrane protein structure using water polarization transfer solid-state NMR.

    Williams, Jonathan K; Hong, Mei

    2014-10-01

    Water plays an essential role in the structure and function of proteins, lipid membranes and other biological macromolecules. Solid-state NMR heteronuclear-detected (1)H polarization transfer from water to biomolecules is a versatile approach for studying water-protein, water-membrane, and water-carbohydrate interactions in biology. We review radiofrequency pulse sequences for measuring water polarization transfer to biomolecules, the mechanisms of polarization transfer, and the application of this method to various biological systems. Three polarization transfer mechanisms, chemical exchange, spin diffusion and NOE, manifest themselves at different temperatures, magic-angle-spinning frequencies, and pulse irradiations. Chemical exchange is ubiquitous in all systems examined so far, and spin diffusion plays the key role in polarization transfer within the macromolecule. Tightly bound water molecules with long residence times are rare in proteins at ambient temperature. The water polarization-transfer technique has been used to study the hydration of microcrystalline proteins, lipid membranes, and plant cell wall polysaccharides, and to derive atomic-resolution details of the kinetics and mechanism of ion conduction in channels and pumps. Using this approach, we have measured the water polarization transfer to the transmembrane domain of the influenza M2 protein to obtain information on the structure of this tetrameric proton channel. At short mixing times, the polarization transfer rates are site-specific and depend on the pH, labile protons, sidechain conformation, as well as the radial position of the residues in this four-helix bundle. Despite the multiple dependences, the initial transfer rates reflect the periodic nature of the residue positions from the water-filled pore, thus this technique provides a way of gleaning secondary structure information, helix tilt angle, and the oligomeric structure of membrane proteins. Copyright © 2014 Elsevier Inc. All

  1. Ab-initio study of structural, vibrational and optical properties of solid oxidizers

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

    2016-09-15

    We report the structural, elastic and vibrational properties of five ionic-molecular solid oxidizers MNO{sub 3} (M = Li, Na, K) and MClO{sub 3} (M = Na, K). By treating long range electron-correlation effects, dispersion corrected method leads to more accurate predictions of structural properties and phase stability of KNO{sub 3} polymorphs. The obtained elastic moduli show soft nature of these materials and are consistent with Ultrasonic Pulse Echo measurements. We made a complete assignment of vibrational modes which are in good accord with available experimental results. From calculated IR and Raman spectra, it is found that the vibrational frequencies show a red-shift from Li → Na → K (Na → K) and N → Cl for nitrates (chlorates) due to increase in mass of metal and non-metal atoms, respectively. The calculated electronic structure using recently developed Tran-Blaha modified Becke-Johnson potential show that the materials are wide band gap insulators with predominant ionic bonding between M{sup +} (metal) and NO{sub 3}{sup −}/ClO{sub 3}{sup −} ions and covalent bonding (N−O and Cl−O) within nitrate and chlorate anionic group. From the calculated optical spectra, we observe that electric-dipole transitions are due to nitrate/chlorate group below 20 eV and cationic transitions occur above 20 eV. The calculated reflectivity spectra are consistent with the available experimental measurements. - Highlights: • Ground state properties with inclusion of dispersion correction method. • Elastic constants and mechanical properties. • Vibrational spectra and their complete assignment. • Raman and IR spectra. • Electronic structure and optical properties using TB-mBJ potential.

  2. Prediction of municipal solid waste generation using artificial neural network approach enhanced by structural break analysis.

    Adamović, Vladimir M; Antanasijević, Davor Z; Ristić, Mirjana Đ; Perić-Grujić, Aleksandra A; Pocajt, Viktor V

    2017-01-01

    This paper presents the development of a general regression neural network (GRNN) model for the prediction of annual municipal solid waste (MSW) generation at the national level for 44 countries of different size, population and economic development level. Proper modelling of MSW generation is essential for the planning of MSW management system as well as for the simulation of various environmental impact scenarios. The main objective of this work was to examine the potential influence of economy crisis (global or local) on the forecast of MSW generation obtained by the GRNN model. The existence of the so-called structural breaks that occur because of the economic crisis in the studied period (2000-2012) for each country was determined and confirmed using the Chow test and Quandt-Andrews test. Two GRNN models, one which did not take into account the influence of the economic crisis (GRNN) and another one which did (SB-GRNN), were developed. The novelty of the applied method is that it uses broadly available social, economic and demographic indicators and indicators of sustainability, together with GRNN and structural break testing for the prediction of MSW generation at the national level. The obtained results demonstrate that the SB-GRNN model provide more accurate predictions than the model which neglected structural breaks, with a mean absolute percentage error (MAPE) of 4.0 % compared to 6.7 % generated by the GRNN model. The proposed model enhanced with structural breaks can be a viable alternative for a more accurate prediction of MSW generation at the national level, especially for developing countries for which a lack of MSW data is notable.

  3. Nanocrystalline solids

    Gleiter, H.

    1991-01-01

    Nanocrystalline solids are polycrystals, the crystal size of which is a few (typically 1 to 10) nanometres so that 50% or more of the solid consists of incoherent interfaces between crystals of different orientations. Solids consisting primarily of internal interfaces represent a separate class of atomic structures because the atomic arrangement formed in the core of an interface is known to be an arrangement of minimum energy in the potential field of the two adjacent crystal lattices with different crystallographic orientations on either side of the boundary core. These boundary conditions result in atomic structures in the interfacial cores which cannot be formed elsewhere (e.g. in glasses or perfect crystals). Nanocrystalline solids are of interest for the following four reasons: (1) Nanocrystalline solids exhibit an atomic structure which differs from that of the two known solid states: the crystalline (with long-range order) and the glassy (with short-range order). (2) The properties of nanocrystalline solids differ (in some cases by several orders of magnitude) from those of glasses and/or crystals with the same chemical composition, which suggests that they may be utilized technologically in the future. (3) Nanocrystalline solids seem to permit the alloying of conventionally immiscible components. (4) If small (1 to 10 nm diameter) solid droplets with a glassy structure are consolidated (instead of small crystals), a new type of glass, called nanoglass, is obtained. Such glasses seem to differ structurally from conventional glasses. (orig.)

  4. Crystalline structure and electrical properties of solid solutions YNixMn1-xO3

    Moure, C.

    1999-12-01

    Full Text Available Solid solutions belonging to the Mn-rich region of the YNiXMn1-XO3 system have been studied. The powders were prepared by solid state reaction between the corresponding oxides. Sintered ceramics were obtained by firing at 1325-1350ºC. The incorporation of 20 atomic % Ni2+ to the Yttrium manganite induces the formation of a perovskite phase, with orthorhombic symmetry. Increase of the Ni amount leads to an increase of the orthorhombicity factor b/a, up to an amount of 50 atomic % Ni2+. Above this Ni amount, a biphasic system has been observed, with the presence of unreacted Y2O3. DC electrical conductivity measurements have shown semiconducting behaviour for all the solid solutions with perovskite-type structure. The room temperature conductivity increases with Ni until ~33 atomic % Ni, and then decreases. The 50/50 Ni/Mn composition has different values of conductivity and activation energy against those corresponding to samples with lower values of that ionic ratio. Small polaron hopping mechanism controls the conductivity in these ceramics. Results are discussed as a function of the Mn3+/Mn4+ ratio for each composition.Se han estudiado las soluciones sólidas correspondientes a la región rica en Mn del sistema YNiXMn1-XO3, entre 0 y 50 atomic % Ni. Los compuestos fueron preparados por reacción en estado sólido de los óxidos correspondientes. Se sinterizaron materiales cerámicos a 1325-1350ºC. Con cantidades de 20 atomic % Ni se produce la formación de una fase con estructura de perovskita, y simetría ortorrómbica. La distorsión ortorrómbica crece con el contenido de Ni. Por encima de 50 atomic % Ni, aparece Y2O3 sin reaccionar. Las soluciones sólidas muestran semiconducción con valores de σ que aumentan con el contenido de Ni hasta ~33 atomic %, para luego decrecer, hasta x=0.5. La composición 50/50 Ni/Mn muestra un comportamiento eléctrico algo diferente. Se discuten los resultados en función de la razón Mn3+/Mn4+ para cada

  5. CMOS-compatible method for doping of buried vertical polysilicon structures by solid phase diffusion

    Turkulets, Yury [Micron Semiconductor Israel Ltd., Qiryat Gat 82109 (Israel); Department of Electrical and Computer Engineering, Ben Gurion University of the Negev, Beer-Sheva 8410501 (Israel); Silber, Amir; Ripp, Alexander; Sokolovsky, Mark [Micron Semiconductor Israel Ltd., Qiryat Gat 82109 (Israel); Shalish, Ilan, E-mail: shalish@bgu.ac.il [Department of Electrical and Computer Engineering, Ben Gurion University of the Negev, Beer-Sheva 8410501 (Israel)

    2016-03-28

    Polysilicon receives attention nowadays as a means to incorporate 3D-structured photonic devices into silicon processes. However, doping of buried layers of a typical 3D structure has been a challenge. We present a method for doping of buried polysilicon layers by solid phase diffusion. Using an underlying silicon oxide layer as a dopant source facilitates diffusion of dopants into the bottom side of the polysilicon layer. The polysilicon is grown on top of the oxide layer, after the latter has been doped by ion implantation. Post-growth heat treatment drives in the dopant from the oxide into the polysilicon. To model the process, we studied the diffusion of the two most common silicon dopants, boron (B) and phosphorus (P), using secondary ion mass spectroscopy profiles. Our results show that shallow concentration profiles can be achieved in a buried polysilicon layer using the proposed technique. We present a quantitative 3D model for the diffusion of B and P in polysilicon, which turns the proposed method into an engineerable technique.

  6. Structure and adhesive properties of solid solution specimen surfaces based on bismuth tellurides after cutting

    Dik, M.G.; Rybina, L.N.; Dubrovina, A.N.; Abdinov, D.Sh.

    1988-01-01

    Structure and depth of broken layer, occuring at electroerosion cutting along ingot samples axis of Bi 2 Te 3 -Bi 2 Se 3 , Bi 2 Te 3 -Sb 2 Te 3 systems solid solutions (obtained by methods of directed crystallization and extrusion), and equilibrium contact angle θ, adhesion effort A and contact resistance r c of these crystals contacts with eutectic alloy of Bi-Sn system are investigated. Depth and structure of the broken layer were determined by means of stage-by-stage scouring-etching and X-ray investigation of cutting surface. It is shown, that etching during ∼50 c in large-block material eliminates polycrystalline layer, lattice bendings, resulting in Laue spots asterism, but does not remove their fragmentation and wash-out. Slots wash-out reduces, while fragmentation remains even after continuous etching. Etching with duration from ∼50 c up to 30-40 min practically does not change the character of polycrystalline samples diffraction pattern

  7. Lead(ii) soaps: crystal structures, polymorphism, and solid and liquid mesophases.

    Martínez-Casado, F J; Ramos-Riesco, M; Rodríguez-Cheda, J A; Redondo-Yélamos, M I; Garrido, L; Fernández-Martínez, A; García-Barriocanal, J; da Silva, I; Durán-Olivencia, M; Poulain, A

    2017-07-05

    The long-chain members of the lead(ii) alkanoate series or soaps, from octanoate to octadecanoate, have been thoroughly characterized by means of XRD, PDF analysis, DSC, FTIR, ssNMR and other techniques, in all their phases and mesophases. The crystal structures at room temperature of all of the members of the series are now solved, showing the existence of two polymorphic forms in the room temperature crystal phase, different to short and long-chain members. Only nonanoate and decanoate present both forms, and this polymorphism is proven to be monotropic. At higher temperature, these compounds present a solid mesophase, defined as rotator, a liquid crystal phase and a liquid phase, all of which have a similar local arrangement. Since some lead(ii) soaps appear as degradation compounds in oil paintings, the solved crystal structures of lead(ii) soaps can now be used as fingerprints for their detection using X-ray diffraction. Pair distribution function analysis on these compounds is very similar in the same phases and mesophases for the different members, showing the same short range order. This observation suggests that this technique could also be used in the detection of these compounds in disordered phases or in the initial stages of formation in paintings.

  8. The Effect of Cellulose Crystal Structure and Solid-State Morphology on the Activity of Cellulases

    Stipanovic, Arthur J [SUNY College of Environmental Science and Forestry

    2014-11-17

    Consistent with the US-DOE and USDA “Roadmap” objective of producing ethanol and chemicals from cellulosic feedstocks more efficiently, a three year research project entitled “The Effect of Cellulose Crystal Structure and Solid-State Morphology on the Activity of Cellulases” was initiated in early 2003 under DOE sponsorship (Project Number DE-FG02-02ER15356). A three year continuation was awarded in June 2005 for the period September 15, 2005 through September 14, 2008. The original goal of this project was to determine the effect of cellulose crystal structure, including allomorphic crystalline form (Cellulose I, II, III, IV and sub-allomorphs), relative degree of crystallinity and crystallite size, on the activity of different types of genetically engineered cellulase enzymes to provide insight into the mechanism and kinetics of cellulose digestion by “pure” enzymes rather than complex mixtures. We expected that such information would ultimately help enhance the accessibility of cellulose to enzymatic conversion processes thereby creating a more cost-effective commercial process yielding sugars for fermentation into ethanol and other chemical products. Perhaps the most significant finding of the initial project phase was that conversion of native bacterial cellulose (Cellulose I; BC-I) to the Cellulose II (BC-II) crystal form by aqueous NaOH “pretreatment” provided an increase in cellulase conversion rate approaching 2-4 fold depending on enzyme concentration and temperature, even when initial % crystallinity values were similar for both allomorphs.

  9. Thermodynamics of dilute 3He-4He solid solutions with hcp structure

    Chishko, K. A.

    2018-02-01

    To interpret the anomalies in heat capacity CV(T) and temperature-dependent pressure P(T) of solid hexagonal close-packed (hcp) 4He we exploit the model of hcp crystalline polytype with specific lattice degrees of freedom and describe the thermodynamics of impurity-free 4He solid as superposition of phononic and polytypic contributions. The hcp-based polytype is a stack of 2D basal atomic monolayers on triangular lattice packed with arbitrary long (up to infinity) spatial period along the hexagonal c axis perpendicular to the basal planes. It is a crystal with perfect ordering along the layers, but without microscopic translational symmetry in perpendicular direction (which remains, nevertheless, the rotational crystallographic axis of third order, so that the polytype can be considered as semidisordered system). Each atom of the hcp polytype has twelve crystallographic neighbors in both first and second coordination spheres at any arbitrary packing order. It is shown that the crystal of such structure behaves as anisotropic elastic medium with specific dispersion law of phonon excitations along c axis. The free energy and the heat capacity consist of two terms: one of them is a normal contribution [with CV(T) ˜ T3] from phonon excitations in an anisotropic lattice of hexagonal symmetry, and another term (an "excessive" heat) is a contribution resulted by packing entropy from quasi-one-dimensional system of 2D basal planes on triangular lattice stacked randomly along c axis without braking the closest pack between neighboring atomic layers. The excessive part of the free energy has been treated within 1D quasi-Ising (lattice gas) model using the transfer matrix approach. This model makes us possible to interpret successfully the thermodynamic anomaly (heat capacity peak in hcp 4He) observed experimentally.

  10. Ab initio theory of the electronic structure of nf-ions in solids and liquids

    Kulagin, N.

    1998-01-01

    Full text: In the books and papers we developed the self-consistent field theory of nl- ions in Me+n:[L]k- clusters, where k is number of ligands - L, by ion-ligands distance - R. The results which were obtained for all RE and AC ions for Me+n:[L]k, where L - F - , O -2 and so on ligands, are closely corresponded to experimental data. The expression for energy of the cluster may be write as: E = E 0 + kE 1 + k'(E z + E c + E e + E ex ), (Eq.1), where E 0 and E 1 are the energies of the free nl-ion and surrounding one; E z , E c and E e are the energy of electrons interaction with 'strange' nucleus, Coulomb electron-electron interaction and exchange one. E ex is the energy of the interaction of electrons and nucleus with external field. The equations for the radial one-electron wave functions of the ions in the cluster were obtained by minimizing the Eq. 1 for the radial orbitals of the central ion and ligand one. We have received the general system of equations of the self-consistent field for cluster in liquids and solid states. The results of calculations of the energy structure of clusters and values of the standard radial integrals (spectroscopy parameters) for Ac-ions in 1-2-3 superconductors and RE-ions in garnet crystals by different values of R are qualitatively and quantitatively correct. We've got the best results for pressure dependence of Nd ions spectra, change of optical and X-Ray spectra after irradiation of garnets. We explained the nature of anomalous in SrTiO 3 and separate lasers crystals by used of results of the calculations. In the framework of our approach we obtained the best accuracy for the energy of X- Ray lines for all nf- ions in solids and liquids

  11. Structure-property relationships of new bismuth and lead oxide based perovskite ternary solid solutions

    Dwivedi, Akansha

    Two new bismuth and lead oxide based perovskite ternary solid solutions, namely xBi(Zn1/2Ti1/2)O3-yPbZrO3-zPbTiO3 [xBZT-yPZ-zPT] and xBi(Mg1/2Ti1/2)O3-yBi(Zn 1/2Ti1/2)O3-zPbTiO3 [xBMT-yBZT-zPT] have been developed and their structural and electrical properties have been determined. Various characterization techniques such as X-ray diffraction, calorimetery, electron microscopy, dielectric and piezoelectric measurements have been performed to determine the details of the phase diagram, crystal structure, and domain structure. The selection of these materials is based on the hypothesis that the presence of BZT-PT (Case I ferroelectric (FE)) will increase the transition temperature of MPB systems BMT-PT (Case II FE), and PZ-PT (Case III FE), and subsequently a MPB will be observed in the ternary phase diagrams. The Case I, II, and III classification has been outlined by Stringer et al., is on the basis of the transition temperatures (TC) behavior with composition in the Bi and Pb oxide based binary systems. Several pseudobinary lines have been investigated across the xBZT-yPZ-zPT ternary phase diagram which exhibit varied TC behavior with composition, showing both Case I- and Case III-like TC trends in different regions. A MPB between rhombohedral to tetragonal phases has been located on a pseudobinary line 0.1BZT-0.9[xPT-(1-x)PZ]. Compositions near MPB exhibit mainly soft PZT-like properties with the TC around 60°C lower than the unmodified PZT near its MPB. Electrical properties are reported for the MPB composition, TC = 325°C, Pr = 35 microC/cm2, d33 = 300 pC/N and kP =0.45. Rhombohedral compositions show diffuse phase transition with small frequency dispersion, similar to relaxors. Two transition peaks in the permittivity as well as in the latent heat has been observed in some compositions near the BZT-PT binary. This leads to the speculation for the existence of miscibility gap in the solid solutions in these regions. Transmission electron microscopy (TEM

  12. Probing buried solid-solid interfaces in magnetic multilayer structures and other nanostructures using spectroscopy excited by soft x-ray standing waves

    Yang, S.-H.; Mun, B.S.; Mannella, N.; Sell, B.; Ritchey, S.B.; Fadley, C.S.; Pham, L.; Nambu, A.; Watanabe, M.

    2004-01-01

    Full text: Buried solid-solid interfaces are becoming increasingly more important in all aspects of nanoscience, and we here dis- cuss the st applications of a new method for selectively studying them with the vuv/soft x-ray spectroscopies. As specific examples, magnetic multilayer structures represent key elements of current developments in spintronics, including giant magnetoresistance, exchange bias, and magnetic tunnel resistance. The buried interfaces in such structures are of key importance to their performance, but have up to now been difficult to study selectively with these spectroscopies. This novel method involves excitation of photoelectrons or fluorescent x-rays with soft x-ray standing waves created by Bragg reflection from a multilayer mirror substrate on which the sample is grown. We will discuss core and valence photoemission, as well soft x-ray emission, results from applying this method to multilayer structures relevant to both giant magnetoresistance (Fe/Cr-[2]) and magnetic tunnel junctions (Al 2 O 3 /FeCo) , including magnetic dichroism measurements. Work supported by the Director, Of e of Science, Of e of Basic Energy Sciences, Materials Science and Engineering Division, U.S. Department of Energy, Contract No. DE-AC03-76SF000

  13. ''Electron Conic'' Signatures observed in the nightside auroral zone and over the polar cap

    Menietti, J.D.; Burch, J.L.

    1985-01-01

    A preliminary search of the Dynamics Explorer 1 high-altitude plasma instrument data base has yielded examples of ''electron conic'' signatures. The three example passes show an association with regions of downward electron acceleration and upward ion beams, but this is not true of all the electron conic events. The electron conic signatures are clearly discernible on energy-flux-versus-time color spectrograms as pairs of discrete vertical bands which are symmetric about a pitch angle of approximately 180 0 . One of the examples is a polar cap pass with electron conic signatures observed at invariant latitudes from 84 0 to 75 0 . The other two cases are nightside auroral zone passes in which the regions of detectable electron conics are spatially more confined, covering only about 1 0 in invariant latitude. The conic signatures have been found at energies that range from 50 eV 0 is larger than expected for a loss cone feature. If the electrons conserve the first adiabatic invariant in a dipole magnetic field, and in some cases a parallel electric field, the mirroring altitude varies between about 500 km and 8000 km, which is above the atmospheric loss region. For this reason, and in analogy with the formation of ion conics, we suggest that the conic signatures are produced by heating of the electrons perpendicular to the magnetic field

  14. Supersymmetric Conical Defects: Towards a string theoretic description of black hole formation

    Balasubramanian, V.; de Boer, J.; Keski-Vakkuri, E.; Ross, S.F.

    2001-01-01

    Conical defects, or point particles, in $AdS_3$ are one of the simplest non-trivial gravitating systems, and are particularly interesting because black holes can form from their collision. We embed the BPS conical defects of three dimensions into the N=4b supergravity in six dimensions, which arises

  15. Application of Solid-State NMR to Reveal Structural Differences in Cefazolin Sodium Pentahydrate from Different Manufacturing Processes

    Tian, Ye; Wang, Wei D.; Zou, Wen-Bo; Qian, Jian-Qin; Hu, Chang-Qin

    2018-04-01

    The solid form of an active pharmaceutical ingredient is important when developing a new chemical entity. A solid understanding of the crystal structure and morphology that affect the mechanical and physical characteristics of pharmaceutical powders determines the manufacturing process. Solid-state NMR, thermogravimetric analysis, X-ray diffraction, and Fourier-transform infrared spectroscopy were combined with theoretical calculation to investigate different crystal packings of α-cefazolin sodium from three different vendors and conformational polymorphism was identified to exist in the α-cefazolin sodium. Marginal differences observed among CEZ-Na pentahydrate 1, 2, and 3 were speculated as the proportion of conformation 2. Understanding the differences in the polymorphic structure of α-cefazolin sodium may help with making modifications to incorporate new knowledge with a product’s development.

  16. Contribution to the study of the structure of silver krypton solid solutions; Contribution a l'etude de la structure des solutions solides argent-krypton

    Levy, V; Tullairet, J; Delaplace, J; Antolin-Baudier, J; Adda, Y [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1964-07-01

    The silver-krypton solid solutions formed by electrical discharge have been studied by X-rays, electrical resistivity and electronic transmission microscopy. The crystalline parameter and residual resistivity measurements have shown that the krypton atom behaves very differently to those of other elements of the periodic classification when dissolved in silver. The recovery of the crystalline parameter and of the electrical resistivity has been studied as a function of temperature. (authors) [French] Les solutions solides argent, krypton, realisees par decharges electrique ont ete etudiees par Rayons X, resistivite electrique et microscopie electronique en transmission. Les mesures de parametre cristallin et de resistivite residuelle ont montre que le comportement de l'atome de krypton est tres different de celui des autres elements de la classification periodique en solution dans l'argent. La restauration du parametre cristallin et de la resistivite electrique en fonction de la temperature a ete etudiee. (auteurs)

  17. A new design equation for drained stability of conical slopes in cohesive-frictional soils

    Boonchai Ukritchon

    2018-04-01

    Full Text Available New plasticity solutions to the drained stability of conical slopes in homogeneous cohesive-frictional soils were investigated by axisymmetric finite element limit analysis. Three parameters were studied, i.e. excavated height ratios, slope inclination angles, and soil friction angles. The influences of these parameters on the stability factor and predicted failure mechanism of conical slopes were discussed. A new design equation developed from a nonlinear regression of the lower bound solution was proposed for drained stability analyses of a conical slope in practice. Numerical examples were given to demonstrate a practical application of the proposed equation to stability evaluations of conical slopes with both associated and non-associated flow rules. Keywords: Limit analysis, Slope stability, Conical slope, Unsupported excavation, Cohesive-frictional soils

  18. Structure-Property Relationships of Solid State Additive Manufactured Aluminum Alloy 2219 and Inconel 625

    Rivera Almeyda, Oscar G.

    In this investigation, the processing-structure-property relations are correlated for solid state additively manufactured (SSAM) Inconel 625 (IN 625) and a SSAM aluminum alloy 2219 (AA2219). This is the first research of these materials processed by a new SSAM method called additive friction stir (AFS). The AFS process results in a refined grain structure by extruding solid rod through a rotating tool generating heat and severe plastic deformation. In the case of the AFS IN625, the IN625 alloy is known for exhibiting oxidation resistance and temperature mechanical stability, including strength and ductility. This study is the first to investigate the beneficial grain refinement and densification produced by AFS in IN625 that results in advantageous mechanical properties (YS, UTS, epsilonf) at both quasi-static and high strain rate. Electron Backscatter Diffraction (EBSD) observed dynamic recrystallization and grain refinement during the layer deposition in the AFS specimens, where the results identified fine equiaxed grain structures formed by dynamic recrystallization (DRX) with even finer grain structures forming at the layer interfaces. The EBSD quantified grains as fine as 0.27 microns in these interface regions while the average grain size was approximately 1 micron. Additionally, this is the first study to report on the strain rate dependence of AFS IN625 through quasi-static (QS) (0.001/s) and high strain rate (HR) (1500/s) tensile experiments using a servo hydraulic frame and a direct tension-Kolsky bar, respectively, which captured both yield and ultimate tensile strengths increasing as strain rate increased. Fractography performed on specimens showed a ductile fracture surface on both QS, and HR. Alternatively, the other AFS material system investigated in this study, AA2219, is mostly used for aerospace applications, specifically for rocket fuel tanks. EBSD was performed in the cross-section of the AA2219, also exhibiting DRX with equiaxed microstructure

  19. Adaptation of quantum chemistry software for the electronic structure calculations on GPU for solid-state systems

    Gusakov, V.E.; Bel'ko, V.I.; Dorozhkin, N.N.

    2015-01-01

    We report on adaptation of quantum chemistry software - Quantum Espresso and LASTO - for the electronic structure calculations for the complex solid-state systems on the GeForce series GPUs using the nVIDIA CUDA technology. Specifically, protective covering based on transition metal nitrides are considered. (authors)

  20. Preparation, structural, dielectric and magnetic properties of LaFeO3-PbTiO3 solid solutions

    Ivanov, S. A.; Tellgren, R.; Porcher, F.; Ericsson, T.; Mosunov, A.; Beran, Přemysl; Korchagina, S. K.; Kumar, P.; Mathieu, R.; Nordblad, P.

    2012-01-01

    Roč. 47, č. 11 (2012), s. 3253-3268 ISSN 0025-5408 Institutional support: RVO:61389005 Keywords : ceramics * electronic materials * neutron scattering * X-ray diffraction * crystal structure * magnetic properties Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.913, year: 2012

  1. Studying the molecular determinants of potassium channel structure and function in membranes by solid-state NMR

    van der Cruijsen, Elwin

    2014-01-01

    Solid-state Nuclear Magnetic Resonance (ssNMR) has made remarkable progress in the structural characterization of membrane proteins systems at atomic resolution. Such studies can be further aided by the use of molecular dynamic simulations. Moreover, ssNMR data can be directly compared to functional

  2. Determination of the crystalline structure of scale solids from the 16H evaporator gravity drain line to tank 38H

    Oji, L. N. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)

    2015-10-01

    August 2015, scale solids from the 16H Evaporator Gravity Drain Line (GDL) to the Tank 38H were delivered to SRNL for analysis. The desired analytical goal was to identify and confirm the crystalline structure of the scale material and determine if the form of the aluminosilicate mineral was consistent with previous analysis of the scale material from the GDL.

  3. In-situ Mass Spectrometric Determination of Molecular Structural Evolution at the Solid Electrolyte Interphase in Lithium-Ion Batteries

    Zhu, Zihua; Zhou, Yufan; Yan, Pengfei; Vemuri, Venkata Rama Ses; Xu, Wu; Zhao, Rui; Wang, Xuelin; Thevuthasan, Suntharampillai; Baer, Donald R.; Wang, Chong M.

    2015-08-19

    Dynamic molecular evolution at solid/liquid electrolyte interface is always a mystery for a rechargeable battery due to the challenge to directly probe/observe the solid/liquid interface under reaction conditions, which in essence appears to be similarly true for all the fields involving solid/liquid phases, such as electrocatalysis, electrodeposition, biofuel conversion, biofilm, and biomineralization, We use in-situ liquid secondary ion mass spectroscopy (SIMS) for the first time to directly observe the molecular structural evolution at the solid electrode/liquid electrolyte interface for a lithium (Li)-ion battery under dynamic operating conditions. We have discovered that the deposition of Li metal on copper electrode leads to the condensation of solvent molecules around the electrode. Chemically, this layer of solvent condensate tends to deplete the salt anion and with low concentration of Li+ ions, which essentially leads to the formation of a lean electrolyte layer adjacent to the electrode and therefore contributes to the overpotential of the cell. This unprecedented molecular level dynamic observation at the solid electrode/liquid electrolyte interface provides vital chemical information that is needed for designing of better battery chemistry for enhanced performance, and ultimately opens new avenues for using liquid SIMS to probe molecular evolution at solid/liquid interface in general.

  4. Local Structure and Ionic Conduction at Interfaces of Electrode and Solid Electrolytes

    Yamada, Hirotsohi; Oga, Yusuke; Saruwatari, Isamu; Moriguchi, Isamu

    2012-01-01

    All solid state batteries are attracting interests as next generation energy storage devices. However, little is known on interfaces between active materials and solid electrolytes, which may affect performance of the devices. In this study, interfacial phenomena between electrodes and solid electrolytes of all solid state batteries were investigated by using nano-composites of Li 2SiO 3-TiO 2, Li 2SiO 3-LiTiO 2, and Li 2SiO 3-FePO 4. Studies on ionic conductivity of these composites revealed...

  5. Probing alpha-helical and beta-sheet structures of peptides at solid/liquid interfaces with SFG.

    Chen, Xiaoyun; Wang, Jie; Sniadecki, Jason J; Even, Mark A; Chen, Zhan

    2005-03-29

    We demonstrated that sum frequency generation (SFG) vibrational spectroscopy can distinguish different secondary structures of proteins or peptides adsorbed at solid/liquid interfaces. The SFG spectrum for tachyplesin I at the polystyrene (PS)/solution interface has a fingerprint peak corresponding to the B1/B3 mode of the antiparallel beta-sheet. This peak disappeared upon the addition of dithiothreitol, which can disrupt the beta-sheet structure. The SFG spectrum indicative of the MSI594 alpha-helical structure was observed at the PS/MSI594 solution interface. This research validates SFG as a powerful technique for revealing detailed secondary structures of interfacial proteins and peptides.

  6. Investigation of fusion gain in fast ignition with conical targets

    MJ Tabatabaei

    2011-03-01

    Full Text Available Fast ignition is a new scheme for inertial confinement fusion (ICF. In this scheme, at first the interaction of ultraintense laser beam with the hohlraum wall surrounding a capsule containing deuterium-tritium (D-T fuel causes implosion and compression of fuel to high density and then laser produced protons penetrate in the compressed fuel and deposit their energy in it as the ignition hot spot is created. In this paper, following the energy gain of spherical target and considering relationship of the burn fraction to burn duration, we have obtained the energy gain of conical targets characterized by the angle β, and found a hemispherical capsule (β=π/2 has a gain as high as 96% of that of the whole spherical capsule. The results obtained in this study are qualitatively consistent with Atzeni et al.'s studies of simulations.

  7. Analysis of turbulent conical diffuser flow using second moment closures

    Adane, K.K.; Tachie, M.F.; Ormiston, S.J.

    2004-01-01

    A commercial CFD code, CFX-TASCflow, is used to predict a turbulent conical diffuser flow. The computation was performed using a low-Reynolds number k-ω model, a low-Reynolds number k-ω based non-linear algebraic Reynolds stress model, and a second moment closure with a wall-function. The experimental data of Kassab are used to validate the numerical results. The results show that all the turbulence models reproduce the static pressure coefficient distribution reasonably well. The low Reynolds number k-ω models give better prediction of the friction velocity than the second moment closure. The models also predict the Reynolds shear stress reasonably well but fail to reproduce the correct level of the turbulent kinetic energy. (author)

  8. The mechanical response of tetragonal zirconia polycrystal to conical indentation

    Asif, S.A.S.; Biswas, S.K.

    1994-01-01

    Blocks of 3Y-TZP were indented with conical diamond indenters. Indentation caused tetragonal to monoclinic phase transformation in a subsurface. Of the cracks generated in the subsurface, radial and lateral cracks can be accounted for by a continuum model of the indented subsurface, built using a combination of the Boussinesq and blister stress fields. Additional ring, median and cone cracks were also observed. It is hypothesized that the latter are motivated by the reduction in blister strength or residual energy brought about by the material damage caused by the phase transformation. This damage reduces the load bearing capacity of the material progressively with increasing normal load. (author). 13 refs., 5 figs., 2 tabs

  9. Straight, conic and circular fringes in single interferogram

    Rajkumar

    2015-01-01

    Interferometry is an important part of optics courses taught at the undergraduate level in universities throughout the world. It is used to explain to students the wave nature of light and is also used to measure parameters like length, refractive index, thickness of test samples and wavelength of light source, etc. The shape of interference fringes (linear, conic or circular) gives vital information about the interfering wavefronts and is used for firsthand visual inspection in optical shop testing and other applications of scientific and engineering importance. The present work describes a simple laboratory technique to generate fringes with different shapes in a single interferogram. This is achieved by using our diffraction-Lloyd mirror interferometer where two portions of the diffracted field are superimposed to generate the interference fringes. The technique is quite helpful in explaining the role of source orientation on the shape of interference fringes to students. (paper)

  10. Conical Refraction Bottle Beams for Entrapment of Absorbing Droplets.

    Esseling, Michael; Alpmann, Christina; Schnelle, Jens; Meissner, Robert; Denz, Cornelia

    2018-03-22

    Conical refraction (CR) optical bottle beams for photophoretic trapping of airborne absorbing droplets are introduced and experimentally demonstrated. CR describes the circular split-up of unpolarised light propagating along an optical axis in a biaxial crystal. The diverging and converging cones lend themselves to the construction of optical bottle beams with flexible entry points. The interaction of single inkjet droplets with an open or partly open bottle beam is shown implementing high-speed video microscopy in a dual-view configuration. Perpendicular image planes are visualized on a single camera chip to characterize the integral three-dimensional movement dynamics of droplets. We demonstrate how a partly opened optical bottle transversely confines liquid objects. Furthermore we observe and analyse transverse oscillations of absorbing droplets as they hit the inner walls and simultaneously measure both transverse and axial velocity components.

  11. Performance of cylindrical-conical cyclones with different geometrical configurations

    J.D.A.M. Santana

    2001-09-01

    Full Text Available The present work is a continuation of a study of the influence of geometric characteristics on the performance of reverse-flow cylindrical-conical cyclones. After studying the behavior of the pressure drop in previous work (Arnosti et al., 1998, here performance in terms of collection efficiency in the removal of particulate material is addressed. The independent variables considered in this study were inlet gas velocity (three velocities and the following dimensions of the cyclone: the cylindrical section (three heights and internal height of the gas exit duct (three heights. The tests were performed using an 3³ experimental design. Analysis of the results for overall efficiency was carried out using response surfaces and the statistical parameters were estimated from linear regression.

  12. Thermodynamical description of stationary, asymptotically flat solutions with conical singularities

    Herdeiro, Carlos; Rebelo, Carmen; Radu, Eugen

    2010-01-01

    We examine the thermodynamical properties of a number of asymptotically flat, stationary (but not static) solutions having conical singularities, with both connected and nonconnected event horizons, using the thermodynamical description recently proposed in [C. Herdeiro, B. Kleihaus, J. Kunz, and E. Radu, Phys. Rev. D 81, 064013 (2010).]. The examples considered are the double-Kerr solution, the black ring rotating in either S 2 or S 1 , and the black Saturn, where the balance condition is not imposed for the latter two solutions. We show that not only the Bekenstein-Hawking area law is recovered from the thermodynamical description, but also the thermodynamical angular momentum is the Arnowitt-Deser-Misner angular momentum. We also analyze the thermodynamical stability and show that, for all these solutions, either the isothermal moment of inertia or the specific heat at constant angular momentum is negative, at any point in parameter space. Therefore, all these solutions are thermodynamically unstable in the grand canonical ensemble.

  13. Synthesis, solid-state structure and supramolecularity of [Cu(pyterpy2](ClO42

    Mohammed A. Al-Anber

    2015-09-01

    Full Text Available The copper(II polypyridyl complex [Cu(pyterpy2](ClO42 (3 (pyterpy = 4′-(4-pyridyl-2,2′:6,2″-terpyridine was prepared by the reaction of pyterpy (1 with stoichiometric amounts of [Cu(ClO42·6H2O] (2. The progress of the reaction was controlled by FT-IR and UV–vis spectroscopy. The title complex crystallized in the tetragonal space group I4(1/a with unit cell dimensions of a = 8.6277(1, b = 8.6277(1, c = 57.6398(10 Å, V = 4290.55(12 Å3, and Z = 4. The structure of 3 in the solid-state consists of discrete [Cu(pyterpy2]+ ions with copper(II in a distorted octahedral environment setup by two meridional coordinated tripodal 4′-(4-pyridyl-2,2′:6,2″-terpyridine ligands of which the pyridyl unit stays free. Face-to-face π-interactions between terminal coordinated terpy C5N rings link adjacent [Cu(pyterpy2]2+ units resulting in the formation of a 2D-polymer. The geometrical-to-geometrical centroid distance (d is 3.568 Å.

  14. Structure and blood compatibility of highly oriented PLA/MWNTs composites produced by solid hot drawing.

    Li, Zhengqiu; Zhao, Xiaowen; Ye, Lin; Coates, Phil; Caton-Rose, Fin; Martyn, Michasel

    2014-03-01

    Highly oriented poly(lactic acid) (PLA)/multi-walled carbon nanotubes (MWNTs) composites were fabricated through solid hot drawing technology in an effort to improve the mechanical properties and blood biocompatibility of PLA as blood-contacting medical devices. It was found that proper MWNTs content and drawing orientation can improve the tensile strength and modulus of PLA dramatically. With the increase in draw ratio, the cold crystallization peak became smaller, and the glass transition and the melting peak of PLA moved to high temperature, while the crystallinity increased, and the grain size decreased, indicating the stress-induced crystallization of PLA during drawing. MWNTs showed a nucleation effect on PLA, leading to the rise in the melting temperature, increase in crystallinity and reduction of spherulite size for the composites. Moreover, the intensity of (002) diffraction of MWNTs increased with draw ratio, indicating that MWNTs were preferentially aligned and oriented during drawing. Microstructure observation demonstrated that PLA matrix had an ordered fibrillar bundle structure, and MWNTs in the composite tended to align parallel to the drawing direction. In addition, the dispersion of MWNTs in PLA was also improved by orientation. Introduction of MWNTs and drawing orientation could significantly enhance the blood compatibility of PLA by prolonging kinetic clotting time, reducing hemolysis ratio and platelet activation.

  15. Reusable Solid Rocket Motor - V(RSRMV)Nozzle Forward Nose Ring Thermo-Structural Modeling

    Clayton, J. Louie

    2012-01-01

    During the developmental static fire program for NASAs Reusable Solid Rocket Motor-V (RSRMV), an anomalous erosion condition appeared on the nozzle Carbon Cloth Phenolic nose ring that had not been observed in the space shuttle RSRM program. There were regions of augmented erosion located on the bottom of the forward nose ring (FNR) that measured nine tenths of an inch deeper than the surrounding material. Estimates of heating conditions for the RSRMV nozzle based on limited char and erosion data indicate that the total heat loading into the FNR, for the new five segment motor, is about 40-50% higher than the baseline shuttle RSRM nozzle FNR. Fault tree analysis of the augmented erosion condition has lead to a focus on a thermomechanical response of the material that is outside the existing experience base of shuttle CCP materials for this application. This paper provides a sensitivity study of the CCP material thermo-structural response subject to the design constraints and heating conditions unique to the RSRMV Forward Nose Ring application. Modeling techniques are based on 1-D thermal and porous media calculations where in-depth interlaminar loading conditions are calculated and compared to known capabilities at elevated temperatures. Parameters such as heat rate, in-depth pressures and temperature, degree of char, associated with initiation of the mechanical removal process are quantified and compared to a baseline thermo-chemical material removal mode. Conclusions regarding postulated material loss mechanisms are offered.

  16. Electrical, thermal and structural properties of plasticized waste cooking oil-based polyurethane solid polymer electrolyte

    Huzaizi, Rahmatina Mohd; Tahir, Syuhada Mohd; Mahbor, Kamisah Mohamad

    2017-12-01

    Waste cooking oil-based polyol was synthesized using epoxidation and hydroxylation methods. The polyol was combined with 4,4-diphenylmethane diisocyanate to produce polyurethane (PU) to be used as polymer host in solid polymer electrolyte. 30 wt% LiClO4 was added as doping salt and two types of plasticizers were used; ethylene carbonate (PU-EC) and polyethylene glycol (PU-PEG). The SPE films were characterized using Fourier transform infrared spectroscopy, electrochemical impedance spectroscopy, differential scanning calorimetry (DSC) and X-ray diffraction (XRD). The highest conductivity achieved was 8.4 x 10-8 S cm-1 upon addition of 10 wt% EC. The XRD results showed a decrease of crystalline peaks in PU-EC and the increase in PU-PEG. DSC results revealed that the films; PU, PU-EC and PU-PEG had glass transition temperatures of 159.7, 106.0 and 179.7 °C, respectively. The results showed that the addition of EC increased the amorphous region and the free volume in the SPE structure, thus resulted in higher ionic conductivity.

  17. Synthesis, electronic structure, elastic properties, and interfacial behavior of icosahedral boron-rich solids

    Hunold, Oliver

    2017-08-01

    Boron-rich solids are commonly characterized by icosahedral clusters, where 12 B atoms form an icosahedron, giving rise to outstanding mechanical and transport properties. However, broader applications are limited due to the high synthesis temperature required to obtain the icosahedra-based crystalline structure. Utilizing high power pulsed magnetron sputtering (HPPMS), the deposition temperature may be lowered as compared to direct current magnetron sputtering by enhanced surface diffusion. Therefore, HPPMS was utilized to investigate the influence of the substrate temperature on the structural evolution of B-rich Al-Y-B thin films. The formation of the intended AlYB{sub 14} phase together with the (Y,Al)B{sub 6} impurity phase, containing 1.8 at.% less B than AlYB{sub 14}, was observed at a growth temperature of 800 C and hence 600 C below the bulk synthesis temperature. Based on density functional theory (DFT) calculations it is inferred that minute compositional variations may lead to formation of competing phases, such as (Y,Al)B{sub 6}. Furthermore, 800 C still limits the usage significantly. Therefore, quantum mechanical material design was applied to identify phases with even higher phase stabilities compared to AlYB{sub 14}. Phase stability of T{sub 0.75}Y{sub 0.75}B{sub 14} (T= Sc, Ti, V, Y, Zr, Nb, Si) critically depends on the exact magnitude of charge transferred by T and Y to the B icosahedra. The highest phase stabilities have been identified for Sc{sub 0.75}Y{sub 0.75}B{sub 14}, Ti{sub 0.75}Y{sub 0.75}B{sub 14}, and Zr{sub 0.75}Y{sub 0.75}B{sub 14}. ln combination with Young's modulus values up to 517 GPa these phases are very interesting from a wear-resistance point of view. Still high synthesis temperatures limit the use of such systems onto technologically relevant substrate materials. However, amorphous B-rich solids, which can be synthesized without additional heating, exhibit attractive mechanical and electrical properties. Within these

  18. Structure and some magnetic properties of (BiFeO3x-(BaTiO31−x solid solutions prepared by solid-state sintering

    Kowal Karol

    2015-03-01

    Full Text Available This paper presents the results of the study on structure and magnetic properties of the perovskite-type (BiFeO3x-(BaTiO31−x solid solutions. The samples differing in the chemical composition (x = 0.9, 0.8, and 0.7 were produced according to the conventional solid-state sintering method from the mixture of powders. Moreover, three different variants of the fabrication process differing in the temperatures and soaking time were applied. The results of X-ray diffraction (XRD, Mössbauer spectroscopy (MS, and vibrating sample magnetometry (VSM were collected and compared for the set of the investigated materials. The structural transformation from rhombohedral to cubic symmetry was observed for the samples with x = 0.7. With increasing of BaTiO3 concentration Mössbauer spectra become broadened reflecting various configurations of atoms around 57Fe probes. Moreover, gradual decreasing of the average hyperfine magnetic field and macroscopic magnetization were observed with x decreasing.

  19. Conical refraction of elastic waves in absorbing crystals

    Alshits, V. I.; Lyubimov, V. N.

    2011-01-01

    The absorption-induced acoustic-axis splitting in a viscoelastic crystal with an arbitrary anisotropy is considered. It is shown that after “switching on” absorption, the linear vector polarization field in the vicinity of the initial degeneracy point having an orientation singularity with the Poincaré index n = ±1/2, transforms to a planar distribution of ellipses with two singularities n = ±1/4 corresponding to new axes. The local geometry of the slowness surface of elastic waves is studied in the vicinity of new degeneracy points and a self-intersection line connecting them. The absorption-induced transformation of the classical picture of conical refraction is studied. The ellipticity of waves at the edge of the self-intersection wedge in a narrow interval of propagation directions drastically changes from circular at the wedge ends to linear in the middle of the wedge. For the wave normal directed to an arbitrary point of this wedge, during movement of the displacement vector over the corresponding polarization ellipse, the wave ray velocity s runs over the same cone describing refraction in a crystal without absorption. In this case, the end of the vector moves along a universal ellipse whose plane is orthogonal to the acoustic axis for zero absorption. The areal velocity of this movement differs from the angular velocity of the displacement vector on the polarization ellipse only by a constant factor, being delayed by π/2 in phase. When the wave normal is localized at the edge of the wedge in its central region, the movement of vector s along the universal ellipse becomes drastically nonuniform and the refraction transforms from conical to wedge-like.

  20. Exciplexes and conical intersections lead to fluorescence quenching in π-stacked dimers of 2-aminopurine with natural purine nucleobases†

    Liang, JingXin; Nguyen, Quynh L.; Matsika, Spiridoula

    2016-01-01

    Fluorescent analogues of the natural DNA bases are useful in the study of nucleic acids’ structure and dynamics. 2-Aminopurine (2AP) is a widely used analogue with environmentally sensitive fluorescence behavior. The quantum yield of 2AP has been found to be significantly decreased when engaged in π-stacking interactions with the native bases. We present a theoretical study on fluorescence quenching mechanisms in dimers of 2AP π-stacked with adenine or guanine as in natural DNA. Relaxation pathways on the potential energy surfaces of the first excited states have been computed and reveal the importance of exciplexes and conical intersections in the fluorescence quenching process. PMID:23625036

  1. A Solid-State NMR Experiment: Analysis of Local Structural Environments in Phosphate Glasses

    Anderson, Stanley E.; Saiki, David; Eckert, Hellmut; Meise-Gresch, Karin

    2004-01-01

    An experiment that can be used to directly study the local chemical environments of phosphorus in solid amorphous materials is demonstrated. The experiment aims at familiarizing the students of chemistry with the principles of solid-state NMR, by having them synthesize a simple phosphate glass, and making them observe the (super 31)P NMR spectrum,…

  2. The effects of the solid inner core and nonhydrostatic structure on the earth's forced nutations and earth tides

    De Vries, Dan; Wahr, John M.

    1991-01-01

    This paper computes the effects of the solid inner core (IC) on the forced nutations and earth tides, and on certain of the earth's rotational normal modes. The theoretical results are extended to include the effects of a solid IC and of nonhydrostatic structure. The presence of the IC is responsible for a new, almost diurnal, prograde normal mode which involves a relative rotation between the IC and fluid outer core about an equatorial axis. It is shown that the small size of the IC's effects on both nutations and tides is a consequence of the fact that the IC's moments of inertia are less than 1/1000 of the entire earth's.

  3. Relation of radiation damage of metallic solids to electronic structure. Pt. 5

    Shalaev, A.M.; Adamenko, A.A.

    1977-01-01

    The problem of relating a damage in metal solids to the parameters of radiation fluxes and the physical nature of a target is considered. Basing upon experimental and theoretical investigations into the processes of interaction of particle fluxes with solids, the following conclusions have been reached. Threshold energy of ion displacement in the crystal lattice of a metal solid is dependent on the energy of a bombarding particle, which is due to ionization and electroexcitation stimulated by energy transfer from a fast particle to a system of collectivized electrons. The rate of metal solid damage by radiation depends on the state of the crystal lattice, in particular on its defectness. Variations of local electron density in the vicinity of a defect are related with changing thermodynamic characteristics of radiation-induced defect formation. A type of atomic bond in a solid affects the rate of radiation damage. The greatest damage occurs in materials with a covalent bond

  4. Preparation, structural, dielectric and magnetic properties of LaFeO3–PbTiO3 solid solutions

    Ivanov, S.A.; Tellgren, R.; Porcher, F.; Ericsson, T.; Mosunov, A.; Beran, P.; Korchagina, S.K.; Kumar, P. Anil; Mathieu, R.; Nordblad, P.

    2012-01-01

    Highlights: ► Solid-solutions of (1−x)LaFeO 3 –(x)PbTiO 3 were synthesized by solid-state reaction. ► XRPD and NPD evidence orthorhombic (x 0.8) crystal structures. ► LaFeO 3 -rich compositions order antiferromagnetically (x 3 -rich compositions exhibit ferroelectric order (x larger than 0.8). ► Magnetic and dielectric (relaxor) ordering coexist near room-temperature around x = 0.4. -- Abstract: Solid solutions of (1−x)LaFeO 3 –(x)PbTiO 3 (0 3+ cations in the B-site with propagation vector k = (0,0,0). Based on the obtained experimental data, a combined structural and magnetic phase diagram has been constructed. The factors governing the structural, dielectric and magnetic properties of (1−x)LaFeO 3 –(x)PbTiO 3 solid solutions are discussed, as well as their possible multiferroicity.

  5. Performance and Structural Evolution of Nano-Scale Infiltrated Solid Oxide Fuel Cell Cathodes

    Call, Ann Virginia

    Nano-structured mixed ionic and electronic conducting (MIEC) materials have garnered intense interest in electrode development for solid oxide fuel cells due to their high surface areas which allow for effective catalytic activity and low polarization resistances. In particular, composite solid oxide fuel cell (SOFC) cathodes consisting of ionic conducting scaffolds infiltrated with MIEC nanoparticles have exhibited some of the lowest reported polarization resistances. In order for cells utilizing nanostructured moRPhologies to be viable for commercial implementation, more information on their initial performance and long term stability is necessary. In this study, symmetric cell cathodes were prepared via wet infiltration of Sr0.5Sm 0.5CoO3 (SSC) nano-particles via a nitrate process into porous Ce0.9Gd0.1O1.95 (GDC) scaffolds to be used as a model system to investigate performance and structural evolution. Detailed analysis of the cells and cathodes was carried out using electrochemical impedance spectroscopy (EIS). Initial polarization resistances (RP) as low as 0.11 O cm2 at 600ºC were obtained for these SSC-GDC cathodes, making them an ideal candidate for studying high performance nano-structured electrodes. The present results show that the infiltrated cathode microstructure has a direct impact on the initial performance of the cell. Small initial particle sizes and high infiltration loadings (up to 30 vol% SSC) improved initial RP. A simple microstructure-based electrochemical model successfully explained these trends in RP. Further understanding of electrode performance was gleaned from fitting EIS data gathered under varying temperatures and oxygen partial pressures to equivalent circuit models. Both RQ and Gerischer impedance elements provided good fits to the main response in the EIS data, which was associated with the combination of oxygen surface exchange and oxygen diffusion in the electrode. A gas diffusion response was also observed at relatively

  6. Structural Investigations of Portland Cement Components, Hydration, and Effects of Admixtures by Solid-State NMR Spectroscopy

    Skibsted, Jørgen Bengaard; Andersen, Morten D.; Jakobsen, Hans Jørgen

    2006-01-01

    for the C-S-H phase formed during hydration. It will be demonstrated that Al3+ and flouride guest-ions in the anhydrous and hydrated calcium silicates can be studied in detail by 27Al and 19F MAS NMR, thereby providing information on the local structure and the mechanisms for incorporation of these ions......Solid-state, magic-angle spinning (MAS) NMR spectroscopy represents a valuable tool for structural investigations on the nanoscale of the most important phases in anhydrous and hydrated Portland cements and of various admixtures. This is primarily due to the fact that the method reflects the first......- and second-coordination spheres of the spin nucleus under investigation while it is less sensitive to long-range order. Thus, crystalline as well as amorphous phases can be detected in a quantitative manner by solid-state NMR. In particular the structure of the calcium-silicate-hydrate (C-S-H) phase have...

  7. Structure of Profiled Crystals Based on Solid Solutions of Bi2Te3 and Their X-Ray Diagnostics

    Voronin, A. I.; Bublik, V. T.; Tabachkova, N. Yu.; Belov, Yu. M.

    2011-05-01

    In this work, we used x-ray structural diagnostic data to reveal the formation of structural regularities in profiled polycrystalline ingots based on Bi and Sb chalcogenide solid solutions. In Bi2Te3 lattice crystals, the solid phase grows such that the cleavage surfaces are perpendicular to the crystallization front. The crystallization singularity determines the nature of the growth texture. Because texture is an important factor determining the anisotropy of properties, which in turn determines the suitability of an ingot for production of modules and the possibility of figure of merit improvement, its diagnostics is an important issue for technology testing. Examples of texture analysis using the method of straight pole figure (SPF) construction for profiled crystals are provided. The structure of the surface layers in the profiled ingots was studied after electroerosion cutting. In addition, the method of estimation of the disturbed layer depth based on the nature of texture changes was used.

  8. Synthesis of CdS hollow/solid nanospheres and their chain-structures by membrane technique

    Duan Shumin; Wu Qingsheng; Jia Runping; Liu Xinbo

    2008-01-01

    CdS hollow/solid nanospheres and their chain-structures were successfully synthesized through supporting liquid membrane (SLM) system with bio-membrane. X-ray powder diffraction (XRD), transmission electron microscopy (TEM), UV-Vis spectroscopy, and photoluminescence (PL) spectroscopy have been used for the characterization of the products. The average diameters of CdS solid/hollow spheres are about 10, 40 nm, respectively. The wall of the hollow spheres is about 5 nm. CdS products are all cubic face-centered structure with the cell constant a = 5.830 A. We also explore the morphology, structure and possible synthesis mechanism. A possible template mechanism has been proposed for the production of the hollow CdS nanocrystals, that is, CdS nanoparticles grow along the non-soakage interface between CHCl3 and reactant solution. During this process, the organic functional groups were crucial to the control of crystal morphologies

  9. Cascade conical refraction for annular pumping of a vortex Nd:YAG laser and selective excitation of low- and high-order Laguerre–Gaussian modes

    Wu, Yongxiao; Wang, Zhongyang; Chen, Sanbin; Shirakwa, Akira; Ueda, Ken-ichi; Li, Jianlang

    2018-05-01

    We proposed an efficient and vortex Nd:YAG laser for selective lasing of low- and high-order vortex modes, in which multiple-ring pump light was originated from cascaded conical refraction of multiple biaxial crystals. In our proof of concept demonstration, we used two-crystal cascade conical refraction to generate two-ring pump light; the mutual intensity ratio and relative separation of the inner ring and outer ring were controlled by rotating the second biaxial crystal and by moving the imaging lens, respectively. As a result, we obtained selective excitation of Laguerre–Gaussian (LG01 and LG03) vortex modes in the end-pump Nd:YAG laser. For LG01-mode output, the laser power reached 439 mW with 52.5% slope efficiency; for LG03-mode output, the laser power reached 160 mW with 41.3% slope efficiency. Our results revealed that the multiple-ring pumping technique based on cascaded conical refraction would pave the way for realization of the efficient and switchable excitation of low- and high-order LG modes in an end-pumped solid-state laser.

  10. Structural study of chlorine tri-fluoride and bromine penta-fluoride in liquid and solid phase

    Rousson, R.

    1973-01-01

    This research thesis reports the structural study of chlorine tri-fluoride and bromine penta-fluoride between 20 C and about -265 C. After some generalities on these compounds and a presentation of the experimental technique, the author reports and discusses results obtained with these both compounds: Raman spectrum for the liquid and for the solid phase, infrared spectrum for the solid phase, calorimetric measurements. In the case of chlorine tri-fluoride, the author studies the evolution of the liquid spectrum with temperature, shows the existence of an intermediate solid phase, and compares results obtained by Raman spectroscopy and nuclear magnetic resonance. He also applies to bromine penta-fluoride an analysis of normal coordinates of a XF 5 molecule: relationship between force constants and vibration frequencies, application of Wilson method, resolution of the molecular equation, determination of normal vibration modes [fr

  11. Free vibration of thin axisymmetric structures by a semi-analytical finite element scheme and isoparametric solid elements

    Akeju, T.A.I.; Kelly, D.W.; Zienkiewicz, O.C.; Kanaka Raju, K.

    1981-01-01

    The eigenvalue equations governing the free vibration of axisymmetric solids are derived by means of a semi-analytical finite element scheme. In particular we investigated the use of an 8-node solid element in structures which exhibit a 'shell-like' behaviour. Bathe-Wilson subspace iteration algorithm is employed for the solution of the equations. The element is shown to give good results for beam and shell vibration problems. It is also utilised to solve a complex solid in the form of an internal component of a modern jet engine. This particular application is of considerable practical importance as the dynamics of such components form a dominant design constraint. (orig./HP)

  12. Effect of alkali doping on the structural stability of solid C36

    Zettl, A.; Piskoti, C.; Grossman, Jeffery C.; Cohen, Marvin L.; Louie, Steven G.

    1999-01-01

    We demonstrate that alkali-doping C 36 solids causes the C 36 cage molecules to be bonded less strongly to each other in the solid. Laser irradiation mass spectroscopy experiments show that for pure C 36 solid, no isolated C 36 subunits are observed in the ablated material, while for potassium-doped C 36 , isolated C 36 molecules are readily produced by laser irradiation. Theoretical modelling shows that charge transfer from the alkali to the C 36 molecules greatly hinders C 36 dimer formation, consistent with these experiments. (c) 1999 American Institute of Physics

  13. Nanometric solid solutions of the fluorite and perovskite type crystal structures: Synthesis and properties

    Snežana Bošković

    2012-09-01

    Full Text Available In this paper a short review of our results on the synthesis of nanosized CeO2, CaMnO3 and BaCeO3 solid solutions are presented. The nanopowders were prepared by two innovative methods: self propagating room temperature synthesis (SPRT and modified glycine/nitrate procedure (MGNP. Different types of solid solutions with rare earth dopants in concentrations ranging from 0–0.25 mol% were synthesized. The reactions forming solid solutions were studied. In addition, the characteristics of prepared nanopowders, phenomena during sintering and the properties of sintered samples are discussed.

  14. A DETAILED SPATIOKINEMATIC MODEL OF THE CONICAL OUTFLOW OF THE MULTIPOLAR PLANETARY NEBULA NGC 7026

    Clark, D. M.; López, J. A.; Steffen, W.; Richer, M. G.

    2013-01-01

    We present extensive, long-slit, high-resolution coverage of the complex planetary nebula (PN) NGC 7026. We acquired 10 spectra using the Manchester Echelle Spectrometer at San Pedro Martir Observatory in Baja California, Mexico, and each shows exquisite detail, revealing the intricate structure of this object. Incorporating these spectra into the three-dimensional visualization and kinematic program SHAPE and using Hubble Space Telescope images of NGC 7026, we have produced a detailed structural and kinematic model of this PN. NGC 7026 exhibits remarkable symmetry consisting of three lobe pairs and four sets of knots, all symmetrical about the nucleus and displaying a conical outflow. Comparing the three-dimensional structure of this nebula to recent XMM-Newton X-ray observations, we investigate the extended X-ray emission in relation to the nebular structure. We find that the X-ray emission, while confined to the closed, northern lobes of this PN, shows an abrupt termination in the middle of the southeast lobe, which our long slit data show to be open. This is where the shocked fast wind seems to be escaping the interior of the nebula and the X-ray emission rapidly cools in this region.

  15. Persistent Homology to describe Solid and Fluid Structures during Multiphase Flow

    Herring, A. L.; Robins, V.; Liu, Z.; Armstrong, R. T.; Sheppard, A.

    2017-12-01

    The question of how to accurately and effectively characterize essential fluid and solid distributions and structures is a long-standing topic within the field of porous media and fluid transport. For multiphase flow applications, considerable research effort has been made to describe fluid distributions under a range of conditions; including quantification of saturation levels, fluid-fluid pressure differences and interfacial areas, and fluid connectivity. Recent research has effectively used topological metrics to describe pore space and fluid connectivity, with researchers demonstrating links between pore-scale nonwetting phase topology to fluid mobilization and displacement mechanisms, relative permeability, fluid flow regimes, and thermodynamic models of multiphase flow. While topology is clearly a powerful tool to describe fluid distribution, topological metrics by definition provide information only on the connectivity of a phase, not its geometry (shape or size). Physical flow characteristics, e.g. the permeability of a fluid phase within a porous medium, are dependent on the connectivity of the pore space or fluid phase as well as the size of connections. Persistent homology is a technique which provides a direct link between topology and geometry via measurement of topological features and their persistence from the signed Euclidean distance transform of a segmented digital image (Figure 1). We apply persistent homology analysis to measure the occurrence and size of pore-scale topological features in a variety of sandstones, for both the dry state and the nonwetting phase fluid during two-phase fluid flow (drainage and imbibition) experiments, visualized with 3D X-ray microtomography. The results provide key insights into the dominant topological features and length scales of a media which control relevant field-scale engineering properties such as fluid trapping, absolute permeability, and relative permeability.

  16. Hot granules medium pressure forming process of AA7075 conical parts

    Dong, Guojiang; Zhao, Changcai; Peng, Yaxin; Li, Ying

    2015-05-01

    High strength aluminum alloy plate has a low elongation at room temperature, which leads to the forming of its components need a high temperature. Liquid or gas is used as the pressure-transfer medium in the existing flexible mould forming process, the heat resistance of the medium and pressurizing device makes the application of aluminum alloy plate thermoforming restricted. To solve this problem, the existing medium is replaced by the heat-resisting solid granules and the general pressure equipments are applied. Based on the pressure-transfer performance test of the solid granules medium, the feasibility that the assumption of the extended Drucker-Prager linear model can be used in the finite element analysis is proved. The constitutive equation, the yield function and the theoretical forming limit diagram(FLD) of AA7075 sheet are established. Through the finite element numerical simulation of hot granules medium pressure forming(HGMF) process, not only the influence laws of the process parameters, such as forming temperature, the blank-holder gap and the diameter of the slab, on sheet metal forming performance are discussed, but also the broken area of the forming process is analyzed and predicted, which are coincided with the technological test. The conical part whose half cone angle is 15° and relative height H/d 0 is 0.57, is formed in one process at 250°C. The HGMF process solves the problems of loading and seal in the existing flexible mould forming process and provides a novel technology for thermoforming of light alloy plate, such as magnesium alloy, aluminium alloy and titanium alloy.

  17. Investigation of turbulence measurements with a continuous wave, conically scanning LiDAR

    Wagner, Rozenn; Mikkelsen, Torben; Courtney, Michael

    averaging is done in two steps: 1) the weighted averaging of the wind speed in the probe volume of the laser beam; 2) the averaging of the wind speeds occurring on the circular path described by the conically scanning lidar. Therefore the standard deviation measured by a lidar resolves only the turbulence...... of a continuous wave, conically scanning Zephir lidar. First, the wind speed standard deviation measured by such a lidar gives on average 80% of the standard deviation measured by a cup anemometer. This difference is due to the spatial averaging inherently made by a cw conically scanning lidar. The spatial...

  18. Experimental study of CF4 conical theta pinch plasma expanding into vacuum

    Pedrow, P.D.; Nasiruddin, A.M.

    1989-01-01

    Langmuir probe, photodiode, and optical multichannel analyzer (OMA) measurements have been made on a pulsed CF 4 conical theta pinch plasma. A cloud of CF 4 gas was puffed into a conical theta pinch coil, converted to plasma, and propelled into the vacuum region ahead of the expanding gas cloud. At a position 67 cm away from the conical theta pinch coil, the plasma arrived in separate packets that were about 20 μs in duration. The average drift velocity of these packets corresponded to an energy of about 3 eV. The OMA measurements showed that the second packet contained neutral atomic fluorine as well as charged particles

  19. Modelling solid solutions with cluster expansion, special quasirandom structures, and thermodynamic approaches

    Saltas, V.; Horlait, D.; Sgourou, E. N.; Vallianatos, F.; Chroneos, A.

    2017-12-01

    Modelling solid solutions is fundamental in understanding the properties of numerous materials which are important for a range of applications in various fields including nanoelectronics and energy materials such as fuel cells, nuclear materials, and batteries, as the systematic understanding throughout the composition range of solid solutions for a range of conditions can be challenging from an experimental viewpoint. The main motivation of this review is to contribute to the discussion in the community of the applicability of methods that constitute the investigation of solid solutions computationally tractable. This is important as computational modelling is required to calculate numerous defect properties and to act synergistically with experiment to understand these materials. This review will examine in detail two examples: silicon germanium alloys and MAX phase solid solutions. Silicon germanium alloys are technologically important in nanoelectronic devices and are also relevant considering the recent advances in ternary and quaternary groups IV and III-V semiconductor alloys. MAX phase solid solutions display a palette of ceramic and metallic properties and it is anticipated that via their tuning they can have applications ranging from nuclear to aerospace industries as well as being precursors for particular MXenes. In the final part, a brief summary assesses the limitations and possibilities of the methodologies discussed, whereas there is discussion on the future directions and examples of solid solution systems that should prove fruitful to consider.

  20. The contribution of solid-state NMR spectroscopy to understanding biomineralization: Atomic and molecular structure of bone

    Duer, Melinda J.

    2015-04-01

    Solid-state NMR spectroscopy has had a major impact on our understanding of the structure of mineralized tissues, in particular bone. Bone exemplifies the organic-inorganic composite structure inherent in mineralized tissues. The organic component of the extracellular matrix in bone is primarily composed of ordered fibrils of collagen triple-helical molecules, in which the inorganic component, calcium phosphate particles, composed of stacks of mineral platelets, are arranged around the fibrils. This perspective argues that key factors in our current structural model of bone mineral have come about through NMR spectroscopy and have yielded the primary information on how the mineral particles interface and bind with the underlying organic matrix. The structure of collagen within the organic matrix of bone or any other structural tissue has yet to be determined, but here too, this perspective shows there has been real progress made through application of solid-state NMR spectroscopy in conjunction with other techniques. In particular, NMR spectroscopy has highlighted the fact that even within these structural proteins, there is considerable dynamics, which suggests that one should be cautious when using inherently static structural models, such as those arising from X-ray diffraction analyses, to gain insight into molecular roles. It is clear that the NMR approach is still in its infancy in this area, and that we can expect many more developments in the future, particularly in understanding the molecular mechanisms of bone diseases and ageing.

  1. Analysis of spatial dispersion characteristics of improved conical sprays; Kairyo kasajo funmu no kukan bunsansei no kento

    Long, W; Murakami, A; Hama, J [Mechanical Engineering Lab., Tokyo (Japan); Obokata, T [Gunma University, Gunma (Japan)

    1997-10-01

    The macro-characteristics of conical and improved conical sprays were analyzed using laser sheet and high speed camera. The injection pressure was 14.7, 24.5 or 34.3 MPa and the chamber pressure was 0.098, 0.98 or 1.96 MPa, where the amount of injected fuel was 28.5 mg per cycle, and the injection frequency was 8.3 Hz. As a result, at atmospheric pressure, both of the conical spray and improved conical spray have a conical pattern, but at high chamber pressure, the sprays become three dimensional. The penetration of the improved conical spray was about 25% stronger than that of the conical spray. 10 refs., 11 figs.

  2. Experimental study of internal conical refraction in a biaxial crystal with Laguerre–Gauss light beams

    Peet, V

    2014-01-01

    The effect of internal conical refraction (CR) in a biaxial crystal was studied using Laguerre–Gauss light beams LG 0 ℓ with ℓ=1 and 2, while the lowest-order LG 0 0 beam was used as a reference. The transition from ordinary double refraction to CR was examined. It has been shown that double refraction of an LG 0 ℓ beam forms two focal spots containing ℓ dark stripes. These stripes evolve into ℓ+1 dark rings over an annular focal image when CR is established, and it results in a fine-structure of ℓ+2 bright focal rings with different intensities. In a sharp contrast to the lowest-order reference, the multiring focal structure has a distinct asymmetry with respect to the focal image plane. It has been shown that bright off-axis ‘hot spot’ can be formed on the far-field profiles of outgoing light beams when the biaxial crystal is slightly tilted, and a small angle between the propagation axis of the beam and the optic axis of the crystal arises. These off-axis light structures emerge as either a charge-one optical vortex or a zero-charge spot with annihilated vorticity. Polarization selection reveals J 1 or J 0 Bessel-like profiles of the corresponding ‘hot spots’, and a complex pattern of forked fringes in the dark region near the beam core. (paper)

  3. Structural and magnetic properties of UCo1/3T2/3Al solid solutions (T = Ru, Pt, Rh)

    Andreev, A. V.; Bordallo, H. N.; Chang, S.; Nakotte, H.; Schultz, A. J.; Sechovsky, V.; Torikachvili, M. S.

    1999-01-01

    We report on neutron diffraction studies of UCo 1/3 T 2/3 Al (T = Ru, Pt, Rh). All three solid solutions form in the hexagonal ZrNiAl structure. The Ru-containing compound is found to be chemically ordered, while the Pt-containing compound is nearly disordered and the Rh-containing compound is purely disordered. All three compounds exhibit long-range magnetic order with rather small U moments

  4. Solid-support Electron Paramagnetic Resonance (EPR) Studies of Aβ40 Monomers Reveal a Structured State with Three Ordered Segments*

    Gu, Lei; Ngo, Sam; Guo, Zhefeng

    2012-01-01

    Alzheimer disease is associated with the pathological accumulation of amyloid-β peptide (Aβ) in the brain. Soluble Aβ oligomers formed during early aggregation process are believed to be neurotoxins and causative agents in Alzheimer disease. Aβ monomer is the building block for amyloid assemblies. A comprehensive understanding of the structural features of Aβ monomer is crucial for delineating the mechanism of Aβ oligomerization. Here we investigated the structures of Aβ40 monomer using a solid-support approach, in which Aβ40 monomers are tethered on the solid support via an N-terminal His tag to prevent further aggregation. EPR spectra of tethered Aβ40 with spin labels at 18 different positions show that Aβ40 monomers adopt a completely disordered structure under denaturing conditions. Under native conditions, however, EPR spectra suggest that Aβ40 monomers adopt both a disordered state and a structured state. The structured state of Aβ40 monomer has three more ordered segments at 14–18, 29–30, and 38–40. Interactions between these segments may stabilize the structured state, which likely plays an important role in Aβ aggregation. PMID:22277652

  5. High pressure and temperature structure of liquid and solid Cd: implications for the melting curve of Cd

    Raju, S V; Williams, Q; Geballe, Z M; Godwal, B K; Jeanloz, R; Kalkan, B

    2014-01-01

    The structure of cadmium was characterized in both the solid and liquid forms at pressures to 10 GPa using in situ x-ray diffraction measurements in a resistively heated diamond anvil cell. The distorted hexagonal structure of solid cadmium persists at high pressures and temperatures, with anomalously large c/a ratio of Cd becoming larger as the melting curve is approached. The measured structure factor S(Q) for the melt reveals that the cadmium atoms are spaced about 0.6 Angstroms apart. The melt structure remains notably constant with increasing pressure, with the first peak in the structure factor remaining mildly asymmetric, in accord with the persistence of an anisotropic bonding environment within the liquid. Evolution of powder diffraction patterns up to the temperature of melting revealed the stability of the ambient-pressure hcp structure up to a pressure of 10 GPa. The melting curve has a positive Clausius–Clapeyron slope, and its slope is in good agreement with data from other techniques. We find deviations in the melting curve from Lindemann law type behavior for pressures above 1 GPa. (paper)

  6. Convergence of shock waves between conical and parabolic boundaries

    Yanuka, D.; Zinowits, H. E.; Antonov, O.; Efimov, S.; Virozub, A.; Krasik, Ya. E. [Physics Department, Technion, Haifa 32000 (Israel)

    2016-07-15

    Convergence of shock waves, generated by underwater electrical explosions of cylindrical wire arrays, between either parabolic or conical bounding walls is investigated. A high-current pulse with a peak of ∼550 kA and rise time of ∼300 ns was applied for the wire array explosion. Strong self-emission from an optical fiber placed at the origin of the implosion was used for estimating the time of flight of the shock wave. 2D hydrodynamic simulations coupled with the equations of state of water and copper showed that the pressure obtained in the vicinity of the implosion is ∼7 times higher in the case of parabolic walls. However, comparison with a spherical wire array explosion showed that the pressure in the implosion vicinity in that case is higher than the pressure in the current experiment with parabolic bounding walls because of strong shock wave reflections from the walls. It is shown that this drawback of the bounding walls can be significantly minimized by optimization of the wire array geometry.

  7. The fastest drop climbing on a wet conical fibre

    Li, Erqiang; Thoroddsen, Sigurdur T

    2013-01-01

    We use high-speed video imaging to study the capillary-driven motion of a micro-droplet along the outside of a pre-wetted conical fiber. The cones are fabricated on a glass-puller with tip diameters as small as 1 μm, an order of magnitude smaller than in previous studies. The liquid is fed through the hollow fiber accumulating at the fiber tip to form droplets. The droplets are initially attached to the opening as they grow in size before detaching and traveling up the cone. This detachment can produce a transient oscillation of high frequency. The spatial variation of the capillary pressure drives the droplets towards the wider side of the cone. Various liquids were used to change the surface tension by a factor of 3.5 and viscosity by a factor of 1500. Within each droplet size and viscous-dissipation regime, the data for climbing speeds collapse on a single curve. Droplets traveling with and against gravity allow us to pinpoint the absolute strength of the driving capillary pressure and viscous stresses and thereby determine the prefactors in the dimensionless relationships. The motions are consistent with earlier results obtained from much larger cones. Translation velocities up to 270 mm/s were observed and overall the velocities follow capillary-viscous scaling, whereas the speed of the fastest droplets is limited by inertia following their emergence at the cone tip.

  8. Conical singularities in AdS space time

    Ferreira, Cristine Nunes

    2011-01-01

    Full text: In recent years, the study of conformal gauge theories from 10-D has been motivated by the AdS d+1 /CFT d correspondence, first conjectured by J. Maldacena. The aim of this work is to consider the d = 4 case by analysing the configuration of the N coincident D3 branes. In this context, the work shows that there is a duality between type IIB string theory in AdS 5 x S 5 and N = 4 SU(N) Super Yang-Mills Theory in the IR. The AdS 5 /CFT 4 correspondence brought also new approaches to the strong coupling problem in QCD. Nowadays, there is a whole line of works that focus on the low dimensional correspondence AdS 4 /CFT 3 , like the application to graphene and topological insulators, and the AdS 3 /CFT 2 correspondence, related with the entanglement entropy. In this work, we consider the vortex configuration solution to the AdS 4 and AdS 3 space-time. The most important motivation is to discuss the boundary theory resulting from these solutions. We have examined a straightforward approach to a holographic computation of the graphene and entanglement entropy in the presence of the conical singularity. After this analysis, we consider the scalar field in the bulk in the presence of this metrics and work out the compactification modes. Taking the holographic point of view, we study and discuss the resulting Green function. (author)

  9. Weakly nonlinear sloshing in a truncated circular conical tank

    Gavrilyuk, I P; Hermann, M; Lukovsky, I A; Solodun, O V; Timokha, A N

    2013-01-01

    Sloshing of an ideal incompressible liquid in a rigid truncated (tapered) conical tank is considered when the tank performs small-magnitude oscillatory motions with the forcing frequency close to the lowest natural sloshing frequency. The multimodal method, the non-conformal mapping technique and the Moiseev type asymptotics are employed to derive a finite-dimensional system of weakly nonlinear ordinary differential (modal) equations. This modal system is a generalization of that by Gavrilyuk et al 2005 Fluid Dyn. Res. 37 399–429. Using the derived modal equations, we classify the resonant steady-state wave regimes occurring due to horizontal harmonic tank excitations. The frequency ranges are detected where the ‘planar’ and/or ‘swirling’ steady-state sloshing are stable as well as a range in which all steady-state wave regimes are not stable and irregular (chaotic) liquid motions occur is established. The results on the frequency ranges are qualitatively supported by experiments by Matta E 2002 PhD Thesis Politecnico di Torino, Torino. (paper)

  10. The fastest drop climbing on a wet conical fibre

    Li, Erqiang

    2013-05-21

    We use high-speed video imaging to study the capillary-driven motion of a micro-droplet along the outside of a pre-wetted conical fiber. The cones are fabricated on a glass-puller with tip diameters as small as 1 μm, an order of magnitude smaller than in previous studies. The liquid is fed through the hollow fiber accumulating at the fiber tip to form droplets. The droplets are initially attached to the opening as they grow in size before detaching and traveling up the cone. This detachment can produce a transient oscillation of high frequency. The spatial variation of the capillary pressure drives the droplets towards the wider side of the cone. Various liquids were used to change the surface tension by a factor of 3.5 and viscosity by a factor of 1500. Within each droplet size and viscous-dissipation regime, the data for climbing speeds collapse on a single curve. Droplets traveling with and against gravity allow us to pinpoint the absolute strength of the driving capillary pressure and viscous stresses and thereby determine the prefactors in the dimensionless relationships. The motions are consistent with earlier results obtained from much larger cones. Translation velocities up to 270 mm/s were observed and overall the velocities follow capillary-viscous scaling, whereas the speed of the fastest droplets is limited by inertia following their emergence at the cone tip.

  11. Separability of diagonal symmetric states: a quadratic conic optimization problem

    Jordi Tura

    2018-01-01

    Full Text Available We study the separability problem in mixtures of Dicke states i.e., the separability of the so-called Diagonal Symmetric (DS states. First, we show that separability in the case of DS in $C^d\\otimes C^d$ (symmetric qudits can be reformulated as a quadratic conic optimization problem. This connection allows us to exchange concepts and ideas between quantum information and this field of mathematics. For instance, copositive matrices can be understood as indecomposable entanglement witnesses for DS states. As a consequence, we show that positivity of the partial transposition (PPT is sufficient and necessary for separability of DS states for $d \\leq 4$. Furthermore, for $d \\geq 5$, we provide analytic examples of PPT-entangled states. Second, we develop new sufficient separability conditions beyond the PPT criterion for bipartite DS states. Finally, we focus on $N$-partite DS qubits, where PPT is known to be necessary and sufficient for separability. In this case, we present a family of almost DS states that are PPT with respect to each partition but nevertheless entangled.

  12. Numerical optimization of conical flow waveriders including detailed viscous effects

    Bowcutt, Kevin G.; Anderson, John D., Jr.; Capriotti, Diego

    1987-01-01

    A family of optimized hypersonic waveriders is generated and studied wherein detailed viscous effects are included within the optimization process itself. This is in contrast to previous optimized waverider work, wherein purely inviscid flow is used to obtain the waverider shapes. For the present waveriders, the undersurface is a streamsurface of an inviscid conical flowfield, the upper surface is a streamsurface of the inviscid flow over a tapered cylinder (calculated by the axisymmetric method of characteristics), and the viscous effects are treated by integral solutions of the boundary layer equations. Transition from laminar to turbulent flow is included within the viscous calculations. The optimization is carried out using a nonlinear simplex method. The resulting family of viscous hypersonic waveriders yields predicted high values of lift/drag, high enough to break the L/D barrier based on experience with other hypersonic configurations. Moreover, the numerical optimization process for the viscous waveriders results in distinctly different shapes compared to previous work with inviscid-designed waveriders. Also, the fine details of the viscous solution, such as how the shear stress is distributed over the surface, and the location of transition, are crucial to the details of the resulting waverider geometry. Finally, the moment coefficient variations and heat transfer distributions associated with the viscous optimized waveriders are studied.

  13. Optical trapping using cascade conical refraction of light.

    O'Dwyer, D P; Ballantine, K E; Phelan, C F; Lunney, J G; Donegan, J F

    2012-09-10

    Cascade conical refraction occurs when a beam of light travels through two or more biaxial crystals arranged in series. The output beam can be altered by varying the relative azimuthal orientation of the two biaxial crystals. For two identical crystals, in general the output beam comprises a ring beam with a spot at its centre. The relative intensities of the spot and ring can be controlled by varying the azimuthal angle between the refracted cones formed in each crystal. We have used this beam arrangement to trap one microsphere within the central spot and a second microsphere on the ring. Using linearly polarized light, we can rotate the microsphere on the ring with respect to the central sphere. Finally, using a half wave-plate between the two crystals, we can create a unique beam profile that has two intensity peaks on the ring, and thereby trap two microspheres on diametrically opposite points on the ring and rotate them around the central sphere. Such a versatile optical trap should find application in optical trapping setups.

  14. Bioinspired conical copper wire with gradient wettability for continuous and efficient fog collection.

    Ju, Jie; Xiao, Kai; Yao, Xi; Bai, Hao; Jiang, Lei

    2013-11-06

    Inspired by the efficient fog collection on cactus spines, conical copper wires with gradient wettability are fabricated through gradient electrochemical corrosion and subsequent gradient chemical modification. These dual-gradient copper wires' fog-collection ability is demonstrated to be higher than that of conical copper wires with pure hydrophobic surfaces or pure hydrophilic surfaces, and the underlying mechanism is also analyzed. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Automatic fitting of conical envelopes to free-form surfaces for flank CNC machining

    Bo P.; Bartoň M.; Pottmann H.

    2017-01-01

    We propose a new algorithm to detect patches of free-form surfaces that can be well approximated by envelopes of a rotational cone under a rigid body motion. These conical envelopes are a preferable choice from the manufacturing point of view as they are, by-definition, manufacturable by computer numerically controlled (CNC) machining using the efficient flank (peripheral) method with standard conical tools. Our geometric approach exploits multi-valued vector fields that consist of vectors in...

  16. Free vibration of symmetric angle ply truncated conical shells under different boundary conditions using spline method

    Viswanathan, K. K.; Aziz, Z. A.; Javed, Saira; Yaacob, Y. [Universiti Teknologi Malaysia, Johor Bahru (Malaysia); Pullepu, Babuji [S R M University, Chennai (India)

    2015-05-15

    Free vibration of symmetric angle-ply laminated truncated conical shell is analyzed to determine the effects of frequency parameter and angular frequencies under different boundary condition, ply angles, different material properties and other parameters. The governing equations of motion for truncated conical shell are obtained in terms of displacement functions. The displacement functions are approximated by cubic and quintic splines resulting into a generalized eigenvalue problem. The parametric studies have been made and discussed.

  17. Derivation of Conditions for the Normal Gain Behavior of Conical Horns

    Chin Yeng Tan

    2007-01-01

    Full Text Available Monotonically increasing gain-versus-frequency pattern is in general expected to be a characteristic of aperture antennas that include the smooth-wall conical horn. While optimum gain conical horns do naturally exhibit this behavior, nonoptimum horns need to meet certain criterion: a minimum axial length for given aperture diameter, or, alternatively, a maximum aperture diameter for the given axial length. In this paper, approximate expressions are derived to determine these parameters.

  18. Performance of conical abutment (Morse Taper) connection implants: a systematic review.

    Schmitt, Christian M; Nogueira-Filho, Getulio; Tenenbaum, Howard C; Lai, Jim Yuan; Brito, Carlos; Döring, Hendrik; Nonhoff, Jörg

    2014-02-01

    In this systematic review, we aimed to compare conical versus nonconical implant-abutment connection systems in terms of their in vitro and in vivo performances. An electronic search was performed using PubMed, Embase, and Medline databases with the logical operators: "dental implant" AND "dental abutment" AND ("conical" OR "taper" OR "cone"). Names of the most common conical implant-abutment connection systems were used as additional key words to detect further data. The search was limited to articles published up to November 2012. Recent publications were also searched manually in order to find any relevant studies that might have been missed using the search criteria noted above. Fifty-two studies met the inclusion criteria and were included in this systematic review. As the data and methods, as well as types of implants used was so heterogeneous, this mitigated against the performance of meta-analysis. In vitro studies indicated that conical and nonconical abutments showed sufficient resistance to maximal bending forces and fatigue loading. However, conical abutments showed superiority in terms of seal performance, microgap formation, torque maintenance, and abutment stability. In vivo studies (human and animal) indicated that conical and nonconical systems are comparable in terms of implant success and survival rates with less marginal bone loss around conical connection implants in most cases. This review indicates that implant systems using a conical implant-abutment connection, provides better results in terms of abutment fit, stability, and seal performance. These design features could lead to improvements over time versus nonconical connection systems. © 2013 Wiley Periodicals, Inc.

  19. Free vibration of symmetric angle ply truncated conical shells under different boundary conditions using spline method

    Viswanathan, K. K.; Aziz, Z. A.; Javed, Saira; Yaacob, Y.; Pullepu, Babuji

    2015-01-01

    Free vibration of symmetric angle-ply laminated truncated conical shell is analyzed to determine the effects of frequency parameter and angular frequencies under different boundary condition, ply angles, different material properties and other parameters. The governing equations of motion for truncated conical shell are obtained in terms of displacement functions. The displacement functions are approximated by cubic and quintic splines resulting into a generalized eigenvalue problem. The parametric studies have been made and discussed.

  20. Surface-enhanced Raman spectroscopy based on conical holed enhancing substrates

    Chen, Yao; Chen, Zeng-Ping; Zuo, Qi; Shi, Cai-Xia; Yu, Ru-Qin

    2015-01-01

    In this contribution, surface-enhanced Raman spectroscopy (SERS) based on conical holed glass substrates deposited with silver colloids was reported for the first time. It combines the advantages of both dry SERS assays based on plane films deposited with silver colloids and wet SERS assays utilizing cuvettes or capillary tubes. Compared with plane glass substrates deposited with silver colloids, the conical holed glass substrates deposited with silver colloids exhibited five-to ten-folds of increase in the rate of signal enhancement, due to the internal multiple reflections of both the excitation laser beam and the Raman scattering photons within conical holes. The application of conical holed glass substrates could also yield significantly stronger and more reproducible SERS signals than SERS assays utilizing capillary tubes to sample the mixture of silver colloids and the solution of the analyte of interest. The conical holed glass substrates in combination with the multiplicative effects model for surface-enhanced Raman spectroscopy (MEM SERS ) achieved quite sensitive and precise quantification of 6-mercaptopurine in complex plasma samples with an average relative prediction error of about 4% and a limit of detection of about 0.02 μM using a portable i-Raman 785H spectrometer. It is reasonable to expect that SERS technique based on conical holed enhancing substrates in combination with MEM SERS model can be developed and extended to other application areas such as drug detection, environmental monitoring, and clinic analysis, etc. - Highlights: • A novel conical holed SERS enhancing substrate was designed and manufactured. • The optimal conical holed glass substrates can produce stronger SERS signal. • The novel substrates can overcome the shortcomings of both dry and wet methods. • The novel substrates coupled with MEM SERS can realize quantitative SERS assays

  1. High-reflective colorful films fabricated by all-solid multi-layer cholesteric structures

    Li, Y.; Luo, D.

    2018-02-01

    We demonstrate all-solid-state film with high-reflectivity based on cholesteric template. The adhesive (NOA81) is both filler and an adhesive, which can be avoids interfacial losses. The reflected right- and left-circularly polarized light has been developed by roll-to-roll method, and the reflectance of the films is more than 78%. Here, the all-solid film was used in distribute feedback laser with dye-doped. In addition, this films also used in include flexible reflective display, color pixels in digital photographs, printing and colored cladding of variety of objects.

  2. Selectivity control of photosensitive structures based on gallium arsenide phosphide solid solutions by changing the rate of surface recombination

    Tarasov, S A; Andreev, M Y; Lamkin, I A; Solomonov, A V

    2016-01-01

    In this paper, we demonstrate the effect of surface recombination on spectral sensitivity of structures based on gallium arsenide phosphide solid solutions. Simulation of the effect for structures based on a p-n junction and a Schottky barrier was carried out. Photodetectors with different rates of surface recombination were fabricated by using different methods of preliminary treatment of the semiconductor surface. We experimentally demonstrated the possibility to control photodetector selectivity by altering the rate of surface recombination. The full width at half maximum was reduced by almost 4 times, while a relatively small decrease in sensitivity at the maximum was observed. (paper)

  3. Application of the thermal step method to space charge measurements in inhomogeneous solid insulating structures: A theoretical approach

    Cernomorcenco, Andrei; Notingher, Petru Jr.

    2008-01-01

    The thermal step method is a nondestructive technique for determining electric charge distribution across solid insulating structures. It consists in measuring and analyzing a transient capacitive current due to the redistribution of influence charges when the sample is crossed by a thermal wave. This work concerns the application of the technique to inhomogeneous insulating structures. A general equation of the thermal step current appearing in such a sample is established. It is shown that this expression is close to the one corresponding to a homogeneous sample and allows using similar techniques for calculating electric field and charge distribution

  4. Structure Formation of Ultrathin PEO Films at Solid Interfaces—Complex Pattern Formation by Dewetting and Crystallization

    Braun, Hans-Georg; Meyer, Evelyn

    2013-01-01

    The direct contact of ultrathin polymer films with a solid substrate may result in thin film rupture caused by dewetting. With crystallisable polymers such as polyethyleneoxide (PEO), molecular self-assembly into partial ordered lamella structures is studied as an additional source of pattern formation. Morphological features in ultrathin PEO films (thickness dewetting patterns and diffusion limited growth pattern of ordered lamella growing within the dewetting areas. Besides structure formation of hydrophilic PEO molecules, n-alkylterminated (hydrophobic) PEO oligomers are investigated with respect to self-organization in ultrathin films. Morphological features characteristic for pure PEO are not changed by the presence of the n-alkylgroups. PMID:23385233

  5. Computational and experimental analyses of the wave propagation through a bar structure including liquid-solid interface

    Park, Sang Jin [UST Graduate School, Daejeon (Korea, Republic of); Rhee, Hui Nam [Division of Mechanical and Aerospace Engineering, Sunchon National University, Sunchon (Korea, Republic of); Yoon, Doo Byung; Park, Jin Ho [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2015-08-15

    In this research, we study the propagation of longitudinal and transverse waves through a metal rod including a liquid layer using computational and experimental analyses. The propagation characteristics of longitudinal and transverse waves obtained by the computational and experimental analyses were consistent with the wave propagation theory for both cases, that is, the homogeneous metal rod and the metal rod including a liquid layer. The fluid-structure interaction modeling technique developed for the computational wave propagation analysis in this research can be applied to the more complex structures including solid-liquid interfaces.

  6. Some structural characteristics of gamma-irradiated pure and Li2O-doped NiO solids

    Ramadan, A.A.; Dessouki, A.M.

    1989-01-01

    The induced structural changes, due to Li 2 O-doping (2.5 mol%) and γ-irradiation (10-80 Mrad), of NiO were investigated by XRD analyses. The results obtained revealed that lithium-doping resulted in a significant increase in the internal strain and a decrease in lattice parameter. These changes were explained in terms of creation of Ni 3+ ions in the doped solids. γ-Irradiation of pure and doped solids effected a decrease in both crystallite size and microstrain upon subjecting to doses of 20 and 30 Mrad. Higher doses induced an increase in both parameters in the case of pure NiO and a further decrease in case of the doped solid. These results were attributed to splitting of the large strained crystallites and to an activated sintering of the small strained ones. γ-Irradiation effected also an increase in the lattice parameters of pure and doped solids due to removal of some excess oxygen with subsequent decrease in the concentration of Ni 3+ ions. (author)

  7. Broadband cross-polarization-based heteronuclear dipolar recoupling for structural and dynamic NMR studies of rigid and soft solids

    Kharkov, B. B.; Chizhik, V. I.; Dvinskikh, S. V.

    2016-01-01

    Dipolar recoupling is an essential part of current solid-state NMR methodology for probing atomic-resolution structure and dynamics in solids and soft matter. Recently described magic-echo amplitude- and phase-modulated cross-polarization heteronuclear recoupling strategy aims at efficient and robust recoupling in the entire range of coupling constants both in rigid and highly dynamic molecules. In the present study, the properties of this recoupling technique are investigated by theoretical analysis, spin-dynamics simulation, and experimentally. The resonance conditions and the efficiency of suppressing the rf field errors are examined and compared to those for other recoupling sequences based on similar principles. The experimental data obtained in a variety of rigid and soft solids illustrate the scope of the method and corroborate the results of analytical and numerical calculations. The technique benefits from the dipolar resolution over a wider range of coupling constants compared to that in other state-of-the-art methods and thus is advantageous in studies of complex solids with a broad range of dynamic processes and molecular mobility degrees

  8. Solid dispersions of Myricetin with enhanced solubility: Formulation, characterization and crystal structure of stability-impeding Myricetin monohydrate crystals

    Mureşan-Pop, M.; Pop, M. M.; Borodi, G.; Todea, M.; Nagy-Simon, T.; Simon, S.

    2017-08-01

    Three solid dispersion forms of Myricetin combined with the Polyvinylpyrrolidone were successfully prepared by spray drying method, and characterized by X-ray powder diffraction, thermal analysis, infrared spectroscopy and optical microscopy. Zeta potential measurements provided indications on solid dispersions stability in aqueous suspension related to their storage at elevated temperature and relative humidity, which depends on the Myricetin load. By increase of Myricetin load, the stability of the solid dispersion is impeded due to growth of Myricetin monohydrate crystals. The amorphous dispersions with 10% and 50% Myricetin load are stable and, compared to pure Myricetin, their aqueous solubility is enhanced by a factor of 47 and 13, respectively. The dispersion with 80% Myricetin load is unstable on storage, and this behavior acts in conjunction with the development of Myricetin monohydrate crystals. Single-crystal X-ray diffraction results obtained for Myricetin monohydrate reveal a structure of an infinite 2D network of hydrogen-bonded molecules involving all six hydroxyl groups of Myricetin. The water molecules are positioned in between the infinite chains, and contribute via H-bonds to robust crystal packing. The calculated needle-like morphology of monohydrate form is in agreement with the optical microscopy results. The study shows that the solid amorphous dispersions with up to 50% Myricetin load are a viable option for achieving substantial solubility improvement of Myricetin, and supports their potential use in pharmaceutical applications.

  9. The influence of initial pressure on the characteristics of conical bubble sonoluminescence

    He, Shoujie, E-mail: heshouj@hbu.edu.cn [Hebei Key Laboratory of Optic-electronic Information and Materials, College of Physics Science and Technology, Hebei University, Baoding 071002 (China); Ha, Jing [Institute of Science, Hebei Agriculture University, Baoding 071001 (China); Duan, Pingguang [Hebei Key Laboratory of Optic-electronic Information and Materials, College of Physics Science and Technology, Hebei University, Baoding 071002 (China)

    2015-12-18

    Based on a conical bubble U-tube, conical bubble sonoluminescence was investigated by using pure water as the working medium. Intense cavitation luminescence can be obtained. With the decrease in initial pressure inside the bubble, the intensity and duration of light emission increased. The spectrum is mainly composed of the spectral bands of H{sub 2}O at the initial pressure of 1000 Pa. With the decrease in initial pressure, a broad continuum background spectrum that is well fitted by blackbody radiation can be detected, on which several spectral bands emitted by water molecules are superimposed. A higher temperature inside the bubble can be obtained with the decrease in initial pressure. Moreover, the intensity of the continuum background spectrum becomes more dominant compared with that of H{sub 2}O emission bands. Finally, we conclude that blackbody radiation and molecular emission contribute to luminescence of conical bubble cavitation. Moreover, the initial pressure inside the conical bubble significantly affects the emission mechanism of conical bubble sonoluminescence. - Highlights: • The spectra and light pulses of CBL are investigated in pure water. • The continuum background spectrum becomes more dominant with decrease of initial pressure. • The mechanism of CBL depends on the initial pressure of bubble. • Blackbody radiation and molecular emission contribute to luminescence of conical bubble cavitation.

  10. Design of the solid target structure and the study on the coolant flow distribution in the solid target using the 2-dimensional flow analysis

    Haga, Katsuhiro; Terada, Atsuhiko; Ishikura, Shuichi; Teshigawara, Makoto; Kinoshita, Hidetaka; Kobayashi, Kaoru; Kaminaga, Masaki; Hino, Ryutaro; Susuki, Akira

    1999-11-01

    A solid target cooled by heavy water is presently under development under the Neutron Science Research Project of the Japan Atomic Energy Research Institute (JAERI). Target plates of several millimeters thickness made of heavy metal are used as the spallation target material and they are put face to face in a row with one to two millimeters gaps in between though which heavy water flows, as the coolant. Based on the design criteria regarding the target plate cooling, the volume percentage of the coolant, and the thermal stress produced in the target plates, we conducted thermal and hydraulic analysis with a one dimensional target plate model. We choosed tungsten as the target material, and decided on various target plate thicknesses. We then calculated the temperature and the thermal stress in the target plates using a two dimensional model, and confirmed the validity of the target plate thicknesses. Based on these analytical results, we proposed a target structure in which forty target plates are divided into six groups and each group is cooled using a single pass of coolant. In order to investigate the relationship between the distribution of the coolant flow, the pressure drop, and the coolant velocity, we conducted a hydraulic analysis using the general purpose hydraulic analysis code. As a result, we realized that an uniform coolant flow distribution can be achieved under a wide range of flow velocity conditions in the target plate cooling channels from 1 m/s to 10 m/s. The pressure drop along the coolant path was 0.09 MPa and 0.17 MPa when the coolant flow velocity was 5 m/s and 7 m/s respectively, which is required to cool the 1.5 MW and 2.5 MW solid targets. (author)

  11. Palladium and platinum based solid and hollow nanoparticles: An ab-initio study of structural and electronic properties

    Yildizhan, Gulsum; Caliskan, Serkan; Ozturk, Ramazan

    2018-04-01

    Nanoparticles composed of palladium and platinum are particularly interesting for catalytic purposes, for instance, selective hydrogenation and alcohol oxidation. The reactivity and selectivity of nanostructures are mostly based on the size and shape of the nanocrystals in catalytic reactions. In this work, we studied the structural stabilities of Pd and Pt based nanocubes and nanocages and adsorption strength of chemisorbed species on these nanostructures to investigate their structure dependent catalytic activities. Solid cubic and hollow cage like nanostructures of different sizes were designed with Pd and Pt atoms. The volume of the crystal cavity in nanocage structures was tuned by removing of atoms from solid cubic structure. The effect of size and shape on the formation energies and HOMO-LUMO energy gap of nanostructures were elucidated and correlated to structural stabilities, hardness-softness, electronegativity and electrophilicity index. The relationship between size and chemical reactivity clearly showed that increasing the number of atoms participating in a catalyst enhances the activity. For further understanding of the catalytic activity we employed 4-nitro thiophenol, as an S-donor representative molecule, to evaluate the adsorption characteristics of the nanostructures.

  12. Building roof with conical holes containing PCM to reduce the cooling load: Numerical study

    Alawadhi, Esam M.; Alqallaf, Hashem J.

    2011-01-01

    Highlights: → We investigated a roof structure with cone frustum holes containing PCM. → Different types of PCM and geometries of the PCM are presented. → The results indicate that the heat flux at the indoor space is reduced by 39%. - Abstract: The thermal effectiveness of a building's roof with phase change material (PCM) is presented in this paper. The considered model consists of a concrete slab with vertical cone frustum holes filled with PCM. The objective of incorporating the PCM into the roof structure is to utilize its high latent heat of fusion to reduce the heat gain during the energy demanded peak hours, by absorbing the incoming energy through the melting process in the roof before it reaches the indoor space. The thermal effectiveness of the proposed roof-PCM system is determined by comparing the heat flux at the indoor surface to a roof without the PCM during typical working hours. A parametric study is conducted to assess the effects of the cone frustum geometry, and the kind of PCM used. The n-Eicosane shows the best performance among the examined PCMs, and the conical geometry of the PCM container is the best in term of thermal effectiveness. The results indicate that the heat flux at the indoor surface of the roof can be reduced up to 39% for a certain type of PCM and geometry of PCM cone frustum holes.

  13. Gradiently Polymerized Solid Electrolyte Meets with Micro/Nano-Structured Cathode Array.

    Dong, Wei; Zeng, Xian-Xiang; Zhang, Xu-Dong; Li, Jin-Yi; Shi, Ji-Lei; Xiao, Yao; Shi, Yang; Wen, Rui; Yin, Ya-Xia; Wang, Tai-Shan; Wang, Chun-Ru; Guo, Yu-Guo

    2018-05-02

    The poor contact between the solid-state electrolyte and cathode materials leads to high interfacial resistance, severely limiting the rate capability of solid Li metal batteries. Herein, an integrative battery design is introduced with a gradiently polymerized solid electrolyte (GPSE), a micro-channel current collector array and nano-sized cathode particles. In-situ formed GPSE encapsulates cathode nanoparticles in the micro-channel with ductile inclusions to lower interfacial impedance, and the stiff surface layer of GPSE toward anode suppresses Li dendrites growth. Li metal batteries based on GPSE and Li-free hydrogenated V2O5 (V2O5-H) cathode exhibit an outstanding high-rate response of up to 5 C (the capacity ratio of 5 C / 1 C is 90.3%) and an ultralow capacity fade rate of 0.07% per cycle over 300 cycles. Other Li-containing cathodes as LiFePO4 and LiNi0.5Mn0.3Co0.2O2 can also operate effectively at 5 C and 2 C rate, respectively. Such an ingenious design may provide new insights into other solid metal batteries through interfacial engineering manipulation at micro and nano level.

  14. Crystalline structure and microstructural characteristics of the cathode/electrolyte solid oxide half-cells

    Chiba, Rubens; Vargas, Reinaldo Azevedo; Andreoli, Marco; Santoro, Thais Aranha de Barros; Seo, Emilia Satoshi Miyamaru

    2009-01-01

    The solid oxide fuel cell (SOFC) is an electrochemical device generating of electric energy, constituted of cathode, electrolyte and anode; that together they form a unity cell. The study of the solid oxide half-cells consisting of cathode and electrolyte it is very important, in way that is the responsible interface for the reduction reaction of the oxygen. These half-cells are ceramic materials constituted of strontium-doped lanthanum manganite (LSM) for the cathode and yttria-stabilized zirconia (YSZ) for the electrolyte. In this work, two solid oxide half-cells have been manufactured, one constituted of LSM cathode thin film on YSZ electrolyte substrate (LSM - YSZ half-cell), and another constituted of LSM cathode and LSM/YSZ composite cathode thin films on YSZ electrolyte substrate (LSM - LSM/YSZ - YSZ half cell). The cathode/electrolyte solid oxide half-cells were characterized by X-ray diffractometry (XRD), scanning electron microscopy (SEM) and energy dispersive X-ray spectroscopy (EDS). The results have been presented with good adherence between cathode and electrolyte and, LSM and YSZ phases were identified. (author)

  15. Electronic structure of elements and compounds and electronic phases of solids

    Nadykto, B.A.

    2000-01-01

    The paper reviews technique and computed energies for various electronic states of many-electron multiply charged ions, molecular ions, and electronic phases of solids. The model used allows computation of the state energy for free many-electron multiply charged ions with relative accuracy ∼10 -4 suitable for analysis of spectroscopy data

  16. Deducing 2D Crystal Structure at the Solid/Liquid Interface with Atomic Resolution by Combined STM and SFG Study

    McClelland, Arthur; Ahn, Seokhoon; Matzger, Adam J.; Chen, Zhan

    2009-03-01

    Supplemented by computed models, Scanning Tunneling Microscopy (STM) can provide detailed structure of 2D crystals formed at the liquid/solid interface with atomic resolution. However, some structural information such as functional group orientations in such 2D crystals needs to be tested experimentally to ensure the accuracy of the deduced structures. Due to the limited sensitivity, many other experimental techniques such as Raman and infrared spectroscopy have not been allowed to provide such structural information of 2D crystals. Here we showed that Sum Frequency Generation Vibrational Spectroscopy (SFG) can measure average orientation of functional groups in such 2D crystals, or physisorbed monolayers, providing key experimental data to aid in the modeling and interpretation of the STM images. The usefulness of combining these two techniques is demonstrated with a phthalate diesters monolayer formed at the 1-phenyloctane/ highly oriented pyrolytic graphite (HOPG) interface. The spatial orientation of the ester C=O of the monolayer was successfully determined using SFG.

  17. Analysis of structural and thermal stability in the positive electrode for sulfide-based all-solid-state lithium batteries

    Tsukasaki, Hirofumi; Otoyama, Misae; Mori, Yota; Mori, Shigeo; Morimoto, Hideyuki; Hayashi, Akitoshi; Tatsumisago, Masahiro

    2017-11-01

    Sulfide-based all-solid-state batteries using a non-flammable inorganic solid electrolyte are promising candidates as a next-generation power source owing to their safety and excellent charge-discharge cycle characteristics. In this study, we thus focus on the positive electrode and investigated structural stabilities of the interface between the positive electrode active material LiNi1/3Mn1/3Co1/3O2 (NMC) and the 75Li2S·25P2S5 (LPS) glass electrolyte after charge-discharge cycles via transmission electron microscopy (TEM). To evaluate the thermal stability of the fabricated all-solid-state cell, in-situ TEM observations for the positive electrode during heating are conducted. As a result, structural and morphological changes are detected in the LPS glasses. Thus, exothermal reaction present in the NMC-LPS composite positive electrode after the initial charging is attributable to the crystallization of LPS glasses. On the basis of a comparison with crystallization behavior in single LPS glasses, the origin of exothermal reaction in the NMC-LPS composites is discussed.

  18. Solution and solid state NMR studies of the structure and dynamics of C60 and C70

    Johnson, R.D.; Yannoni, C.S.; Salem, J.; Meijer, G.; Bethune, D.S.

    1991-01-01

    This paper investigates the structure and dynamics of C 60 and C 70 with 13 C NMR spectroscopy. In solution, high-resolution spectra reveal that C 60 has a single resonance at 143 ppm, indicating a strained, aromatic system with high symmetry. This is strong evidence for a C 60 soccer ball geometry. A 2D NMR INADEQUATE experiment on 13 C-enriched C 70 reveals the bonding connectivity to be a linear string, in firm support of the proposed rugby ball structure with D 5h symmetry, and furnishes resonance assignments. Solid state NMR spectra of C 60 at ambient temperatures yield a narrow resonance, indicative of rapid molecular reorientation. Variable temperature T 1 measurements show that the rotational correlation time is ∼ 10 - 9 s at 230 K. At 77 K, this time increases to more than 1 ms, and the 13 C NMR spectrum of C 60 is a powder pattern due to chemical shift anisotropy (tensor components 220, 186, 40 ppm). At intermediate temperatures a narrow peak is superimposed on the powder pattern, suggesting a distribution of barriers to molecular motion in the sample, or the presence of an additional phase in the solid state. A Carr-Purcell dipolar experiment on C 60 in the solid state allows the first precise determination of the C 60 bond lengths: 1.45 and 1.40 Angstrom

  19. Structural study of the membrane protein MscL using cell-free expression and solid-state NMR

    Abdine, Alaa; Verhoeven, Michiel A.; Park, Kyu-Ho; Ghazi, Alexandre; Guittet, Eric; Berrier, Catherine; Van Heijenoort, Carine; Warschawski, Dror E.

    2010-05-01

    High-resolution structures of membrane proteins have so far been obtained mostly by X-ray crystallography, on samples where the protein is surrounded by detergent. Recent developments of solid-state NMR have opened the way to a new approach for the study of integral membrane proteins inside a membrane. At the same time, the extension of cell-free expression to the production of membrane proteins allows for the production of proteins tailor made for NMR. We present here an in situ solid-state NMR study of a membrane protein selectively labeled through the use of cell-free expression. The sample consists of MscL (mechano-sensitive channel of large conductance), a 75 kDa pentameric α-helical ion channel from Escherichia coli, reconstituted in a hydrated lipid bilayer. Compared to a uniformly labeled protein sample, the spectral crowding is greatly reduced in the cell-free expressed protein sample. This approach may be a decisive step required for spectral assignment and structure determination of membrane proteins by solid-state NMR.

  20. Electronic states and optical properties of single donor in GaN conical quantum dot with spherical edge

    El Aouami, A.; Feddi, E.; El-Yadri, M.; Aghoutane, N.; Dujardin, F.; Duque, C. A.; Phuc, Huynh Vinh

    2018-02-01

    In this paper we present a theoretical investigation of quantum confinement effects on the electron and single donor states in GaN conical quantum dot with spherical edge. In the framework of the effective mass approximation, the Schrödinger equations of electron and donor have been solved analytically in an infinite potential barrier model. Our calculations show that the energies of electron and donor impurity are affected by the two characteristic parameters of the structure which are the angle Ω and the radial dimension R. We show that, despite the fact that the reduction of the two parameters Ω and R leads to the same confinement effects, the energy remains very sensitive to the variation of the radial part than the variation of the angular part. The analysis of the photoionization cross-section corresponding to optical transitions between the conduction band and the first donor energy level shows clearly that the reduction of the radius R causes a shift in resonance peaks towards the high energies. On the other hand, the optical transitions between 1 s - 1 p , 1 p - 1 d and 1 p - 2 s show that the increment of the conical aperture Ω (or reduction of R) implies a displacement of the excitation energy to higher energies.

  1. Finite element method for viscoelastic medium with damage and the application to structural analysis of solid rocket motor grain

    Deng, Bin; Shen, ZhiBin; Duan, JingBo; Tang, GuoJin

    2014-05-01

    This paper studies the damage-viscoelastic behavior of composite solid propellants of solid rocket motors (SRM). Based on viscoelastic theories and strain equivalent hypothesis in damage mechanics, a three-dimensional (3-D) nonlinear viscoelastic constitutive model incorporating with damage is developed. The resulting viscoelastic constitutive equations are numerically discretized by integration algorithm, and a stress-updating method is presented by solving nonlinear equations according to the Newton-Raphson method. A material subroutine of stress-updating is made up and embedded into commercial code of Abaqus. The material subroutine is validated through typical examples. Our results indicate that the finite element results are in good agreement with the analytical ones and have high accuracy, and the suggested method and designed subroutine are efficient and can be further applied to damage-coupling structural analysis of practical SRM grain.

  2. Processing by both classical and mechanosynthesis routes and characterization of a new solid solution of tungsten-bronze structure ceramics

    Khachane, M.; Moure, A.; Elaatmani, M.; Zegzouti, A.; Daoud, M.; Castro, A.

    2006-01-01

    A new family of ferroelectric compounds with Ba 2-x Na 1+x Li x Nb 5 O 15 composition (0 ≤ x ≤ 1) and tetragonal tungsten-bronze structure is processed for the first time. This new family of materials derived from Ba 2 NaNb 5 O 15 compound was processed by classical solid-state reaction and by mechanosynthesis. The powders prepared by these two routes were characterized by X-ray diffraction (at room and high temperature), differential thermal analysis, thermogravimetry and scanning electron microscopy. The results confirm the formation of the solid solution in the whole range of composition. The influence of Li addition on the dielectric permittivity and losses and on the ferro-paraelectric transition temperature is also studied

  3. Crystal structure, magnetism, {sup 89}Y solid state NMR, and {sup 121}Sb Moessbauer spectroscopic investigations of YIrSb

    Benndorf, Christopher [Institut fuer Physikalische Chemie, Universitaet Muenster (Germany); Institut fuer Anorganische und Analytische Chemie, Universitaet Muenster (Germany); Heletta, Lukas; Block, Theresa; Poettgen, Rainer [Institut fuer Anorganische und Analytische Chemie, Universitaet Muenster (Germany); Eckert, Hellmut [Institut fuer Physikalische Chemie, Universitaet Muenster (Germany); Institute of Physics in Sao Carlos, University of Sao Paulo, Sao Carlos (Brazil)

    2017-02-15

    The ternary antimonide YIrSb was synthesized from the binary precursor YIr and elemental antimony by a diffusion controlled solid-state reaction. Single crystals were obtained by a flux technique with elemental bismuth as an inert solvent. The YIrSb structure (TiNiSi type, space group Pnma) was refined from single-crystal X-ray diffractometer data: a = 711.06(9), b = 447.74(5), c = 784.20(8) pm, wR{sub 2} = 0.0455, 535 F{sup 2} values, 20 variables. {sup 89}Y solid state MAS NMR and {sup 121}Sb Moessbauer spectra show single resonance lines in agreement with single-crystal X-ray data. YIrSb is a Pauli paramagnet. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  4. Ternary and quaternary solid solutions in rare earth alloy phases with the CaCu5-type structure

    Malani, G.K.; Raman, A.; Mohanty, R.C.

    1992-01-01

    Crystal structural data were analyzed in seleced CaCu 5 -type ternary and quaternary solid solutions to assess the crystal chemical characteristics and stability features of the CaCu 5 -type structure in rare earth containing alloy phases. LaNi 5 was found to dissolve 100 mol% LaCu 5 , 100 mol% ErNi 5 , about 50 mol% LaIr 5 , 40 mol% 'LaMn 5 ', 20 mol% 'LaFe 5 ', and 25 mol% ErRh 5 . In contrast, LaCo 5 did not dissolve any Mn or any of the other elements other than Al - it dissolved about 20 mol% 'LaAl 5 '. LaCu 5 behaves similar to LaNi 5 in solid solutions. From the lack of solubility of any other element in LaFe 5 , LaCo 5 , LaRh 5 , and LaIr 5 and their great instability, these are inferred to be borderline cases in the realm of the CaCu 5 -type structure. In the CaCu 5 and related crystal structures, Ir is compatible with Ni, but not with Co or Rh, and Rh is not compatible with either Ni or Ir. (orig.) [de

  5. Modification of polyimide wetting properties by laser ablated conical microstructures

    Least, Brandon T.; Willis, David A.

    2013-01-01

    Laser texturing of Kapton ® HN polyimide was performed by low-fluence ablation using a pulsed, frequency tripled (349 nm) Nd:YLF laser. The laser was scanned in two dimensions in order to generate texture over a large area. The laser overlap percentage and fluence were varied and the resulting texture was studied. The texture features were inspected by electron microscopy and energy dispersive X-Ray spectroscopy (EDS), while the static contact angle of de-ionized water was measured by a contact angle goniometer. Rounded bump features were formed at all fluences, which decreased in areal density with fluence and number of laser pulses. Conical microstructures or “cones” were also formed at most fluences. Cones were larger than the bumps and thus had lower areal density, which increased as a function of the number of laser pulses. The polyimide was hydrophilic before texturing, with a contact angle of approximately 76°. For most of the experimental conditions the contact angle increased as a result of texturing, with the contact angle exceeding 90° for some textured surfaces, and reaching values as high as 118°. In general, the surfaces with significant increases in contact angle had high density of texture features, either bumps or cones. The surfaces that experienced a decrease in contact angle generally had low density of texture features. The increase in contact angle from a wetting (θ 90°) cannot be explained by texturing alone. EDS measurements indicate that textured regions had higher carbon content than the untextured regions due to depletion of oxygen species. The increase in carbon content relative to the oxygen content increased the native contact angle of the surface, causing the transition from hydrophilic to hydrophobic behavior. The contact angle of a textured surface increased as the relative spacing of features (diameter to spacing) decreased.

  6. Fabrication of All-Solid-State Lithium-Ion Cells Using Three-Dimensionally Structured Solid Electrolyte Li{sub 7}La{sub 3}Zr{sub 2}O{sub 12} Pellets

    Shoji, Mao; Munakata, Hirokazu; Kanamura, Kiyoshi, E-mail: kanamura@tmu.ac.jp [Department of Applied Chemistry, Graduate School of Urban Environmental Sciences, Tokyo Metropolitan University, Tokyo (Japan)

    2016-08-30

    All-solid-state lithium-ion batteries using Li{sup +}-ion conducting ceramic electrolytes have been focused on as attractive future batteries for electric vehicles and renewable energy conversion systems because high safety can be realized due to non-flammability of ceramic electrolytes. In addition, a higher volumetric energy density than that of current lithium-ion batteries is expected since the all-solid-state lithium-ion batteries can be made in bipolar cell configurations. However, the special ideas and techniques based on ceramic processing are required to construct the electrochemical interface for all-solid-state lithium-ion batteries since the battery development has been done so far based on liquid electrolyte system over 100 years. As one of the promising approaches to develop practical all-solid-state batteries, we have been focusing on three-dimensionally (3D) structured cell configurations such as an interdigitated combination of 3D pillars of cathode and anode, which can be realized by using solid electrolyte membranes with hole-array structures. The application of such kinds of 3D structures effectively increases the interface between solid electrode and solid electrolyte per unit volume, lowering the internal resistance of all-solid-state lithium-ion batteries. In this study, Li{sub 6.25}Al{sub 0.25}La{sub 3}Zr{sub 2}O{sub 12} (LLZAl), which is a Al-doped Li{sub 7}La{sub 3}Zr{sub 2}O{sub 12} (LLZ) with Li{sup +}-ion conductivity of ~10{sup –4} S ⋅cm{sup −1} at room temperature and high stability against lithium-metal, was used as a solid electrolyte, and its pellets with 700 μm depth holes in 700 μm × 700 μm area were fabricated to construct 3D-structured all-solid-state batteries with LiCoO{sub 2}/LLZAl/lithium-metal configuration. It is expected that the LiCoO{sub 2}–LLZAl interface is formed by point-to-point contact even when the LLZAl pellet with 3D hole-array structure is applied. Therefore, Li{sub 3}BO{sub 3}, which is a

  7. Thermodynamic and structural properties of high temperature solid and liquid EuBr2

    Rycerz, L.; Gadzuric, S.; Ingier-Stocka, E.

    2005-01-01

    Heat capacity of solid and liq. EuBr2 was measured by differential scanning calorimetry in the temp. range 300-1100 K. The temp. and enthalpy of fusion were also detd. exptl. By combination of these results with the literature data on the entropy at 298.15 K, S(o,m) (EuBr2, s, 298.15 K) , and the...

  8. Contribution to the study of the structure of silver krypton solid solutions

    Levy, V.; Tullairet, J.; Delaplace, J.; Antolin-Baudier, J.; Adda, Y.

    1964-01-01

    The silver-krypton solid solutions formed by electrical discharge have been studied by X-rays, electrical resistivity and electronic transmission microscopy. The crystalline parameter and residual resistivity measurements have shown that the krypton atom behaves very differently to those of other elements of the periodic classification when dissolved in silver. The recovery of the crystalline parameter and of the electrical resistivity has been studied as a function of temperature. (authors) [fr

  9. Conical diffraction as a versatile building block to implement new imaging modalities for superresolution in fluorescence microscopy

    Fallet, Clément; Caron, Julien; Oddos, Stephane; Tinevez, Jean-Yves; Moisan, Lionel; Sirat, Gabriel Y.; Braitbart, Philippe O.; Shorte, Spencer L.

    2014-08-01

    We present a new technology for super-resolution fluorescence imaging, based on conical diffraction. Conical diffraction is a linear, singular phenomenon taking place when a polarized beam is diffracted through a biaxial crystal. The illumination patterns generated by conical diffraction are more compact than the classical Gaussian beam; we use them to generate a super-resolution imaging modality. Conical Diffraction Microscopy (CODIM) resolution enhancement can be achieved with any type of objective on any kind of sample preparation and standard fluorophores. Conical diffraction can be used in multiple fashion to create new and disruptive technologies for super-resolution microscopy. This paper will focus on the first one that has been implemented and give a glimpse at what the future of microscopy using conical diffraction could be.

  10. Randomized intubation with polyurethane or conical cuffs to prevent pneumonia in ventilated patients.

    Philippart, François; Gaudry, Stéphane; Quinquis, Laurent; Lau, Nicolas; Ouanes, Islem; Touati, Samia; Nguyen, Jean Claude; Branger, Catherine; Faibis, Frédéric; Mastouri, Maha; Forceville, Xavier; Abroug, Fekri; Ricard, Jean Damien; Grabar, Sophie; Misset, Benoît

    2015-03-15

    The occurrence of ventilator-associated pneumonia (VAP) is linked to the aspiration of contaminated pharyngeal secretions around the endotracheal tube. Tubes with cuffs made of polyurethane rather than polyvinyl chloride or with a conical rather than a cylindrical shape increase tracheal sealing. To test whether using polyurethane and/or conical cuffs reduces tracheal colonization and VAP in patients with acute respiratory failure. We conducted a multicenter, prospective, open-label, randomized study in four parallel groups in four intensive care units between 2010 and 2012. A cohort of 621 patients with expected ventilation longer than 2 days was included at intubation with a cuff composed of cylindrical polyvinyl chloride (n = 148), cylindrical polyurethane (n = 143), conical polyvinyl chloride (n = 150), or conical polyurethane (n = 162). We used Kaplan-Meier estimates and log-rank tests to compare times to events. After excluding 17 patients who secondarily refused participation or had met an exclusion criterion, 604 were included in the intention-to-treat analysis. Cumulative tracheal colonization greater than 10(3) cfu/ml at Day 2 was as follows (median [interquartile range]): cylindrical polyvinyl chloride, 0.66 (0.58-0.74); cylindrical polyurethane, 0.61 (0.53-0.70); conical polyvinyl chloride, 0.67 (0.60-0.76); and conical polyurethane, 0.62 (0.55-0.70) (P = 0.55). VAP developed in 77 patients (14.4%), and postextubational stridor developed in 28 patients (6.4%) (P = 0.20 and 0.28 between groups, respectively). Among patients requiring mechanical ventilation, polyurethane and/or conically shaped cuffs were not superior to conventional cuffs in preventing tracheal colonization and VAP. Clinical trial registered with clinicaltrials.gov (NCT01114022).

  11. Fourier method for modeling slanted lamellar gratings of arbitrary end-surface shapes in conical mounting.

    Li, Lifeng

    2015-10-01

    An efficient modal method for numerically modeling slanted lamellar gratings of isotropic dielectric or metallic media in conical mounting is presented. No restrictions are imposed on the slant angle and the length of the lamellae. The end surface of the lamellae can be arbitrary, subject to certain restrictions. An oblique coordinate system that is adapted to the slanted lamella sidewalls allows the most efficient way of representing and manipulating the electromagnetic fields. A translational coordinate system that is based on the oblique Cartesian coordinate system adapts to the end-surface profile of the lamellae, so that the latter can be handled simply and easily. Moreover, two matrix eigenvalue problems of size 2N × 2N, one for each fundamental polarization of the electromagnetic fields in the periodic lamellar structure, where N is the matrix truncation number, are derived to replace the 4N × 4N eigenvalue problem that has been used in the literature. The core idea leading to this success is the polarization decomposition of the electromagnetic fields inside the periodic lamellar region when the fields are expressed in the oblique translational coordinate system.

  12. UV-A photocatalytic treatment of Legionella pneumophila bacteria contaminated airflows through three-dimensional solid foam structured photocatalytic reactors

    Josset, Sebastien; Hajiesmaili, Shabnam; Begin, Dominique; Edouard, David; Pham-Huu, Cuong [Laboratoire des Materiaux, Surfaces et Procedes pour la Catalyse (LMSPC), European Laboratory for Catalysis and Surface Sciences (ELCASS), CNRS, Strasbourg University, 25 rue Becquerel 67087 Strasbourg (France); Lett, Marie-Claire [Laboratoire de Genetique Moleculaire, Genomique, Microbiologie, CNRS, Strasbourg University, 28, rue Goethe 67083 Strasbourg Cedex (France); Keller, Nicolas, E-mail: nkeller@chimie.u-strasbg.fr [Laboratoire des Materiaux, Surfaces et Procedes pour la Catalyse (LMSPC), European Laboratory for Catalysis and Surface Sciences (ELCASS), CNRS, Strasbourg University, 25 rue Becquerel 67087 Strasbourg (France); Keller, Valerie [Laboratoire des Materiaux, Surfaces et Procedes pour la Catalyse (LMSPC), European Laboratory for Catalysis and Surface Sciences (ELCASS), CNRS, Strasbourg University, 25 rue Becquerel 67087 Strasbourg (France)

    2010-03-15

    A 3D-structured photocatalytic media was designed for allowing a tubular reactor to work in a traversing-flow mode at low pressure drops with a strong increase in the surface area-to-volume ratio inside the reactor. A protective polysiloxane coating was performed for protecting a structured polyurethane foam and anchoring the active TiO{sub 2} particles. Filled with the 3D-structured solid foam supporting TiO{sub 2} photocatalyst, the reactor could thus take advantages from the static mixer effect and from the low pressure drop resulting from the reticulated foam support. Very efficient decontamination levels towards airborne Legionella pneumophila bacteria were reached in a single-pass test mode.

  13. Real-space local polynomial basis for solid-state electronic-structure calculations: A finite-element approach

    Pask, J.E.; Klein, B.M.; Fong, C.Y.; Sterne, P.A.

    1999-01-01

    We present an approach to solid-state electronic-structure calculations based on the finite-element method. In this method, the basis functions are strictly local, piecewise polynomials. Because the basis is composed of polynomials, the method is completely general and its convergence can be controlled systematically. Because the basis functions are strictly local in real space, the method allows for variable resolution in real space; produces sparse, structured matrices, enabling the effective use of iterative solution methods; and is well suited to parallel implementation. The method thus combines the significant advantages of both real-space-grid and basis-oriented approaches and so promises to be particularly well suited for large, accurate ab initio calculations. We develop the theory of our approach in detail, discuss advantages and disadvantages, and report initial results, including electronic band structures and details of the convergence of the method. copyright 1999 The American Physical Society

  14. Recent progress in predicting structural and electronic properties of organic solids with the van der Waals density functional

    Yanagisawa, Susumu; Okuma, Koji; Inaoka, Takeshi; Hamada, Ikutaro

    2015-01-01

    Highlights: • Review of theoretical studies on organic solids with the density-functional methods. • van der Waals (vdW)-inclusive methods to predict cohesive properties of oligoacenes. • A variant of the vdW density functional describes the structures accurately. • The molecular configuration and conformation crucially affects the band dispersion. - Abstract: We review recent studies on electronic properties of the organic solids with the first-principles electronic structure methods, with the emphasis on the roles of the intermolecular van der Waals (vdW) interaction in electronic properties of the organic semiconductors. After a brief summary of the recent vdW inclusive first-principle theoretical methods, we discuss their performance in predicting cohesive properties of oligoacene crystals as examples of organic crystals. We show that a variant of the van der Waals density functional describes structure and energetics of organic crystals accurately. In addition, we review our recent study on the zinc phthalocyanine crystal and discuss the importance of the intermolecular distance and orientational angle in the band dispersion. Finally, we draw some general conclusions and the future perspectives.

  15. Structural analysis and magnetic properties of solid solutions of Co–Cr system obtained by mechanical alloying

    Betancourt-Cantera, J.A.; Sánchez-De Jesús, F.; Bolarín-Miró, A.M.; Betancourt, I.; Torres-Villaseñor, G.

    2014-01-01

    In this paper, a systematic study on the structural and magnetic properties of Co 100−x Cr x alloys (0 1−x Cr x (0 2 /kg) for the Co 90 Cr 10 , which decreases with the increasing of the Cr content up to x=80, as a consequence of the dilution effect of the magnetic moment which is caused by the Cr content and by the competition between ferromagnetic and antiferromagnetic exchange interactions. The coercivity increases up to 34 kA/m (435 Oe) for Co 40 Cr 60 . For Cr rich compositions, it is observed an important decrease reaching 21 kA/m (272 Oe) for Co 10 Cr 90, it is related to the grain size and the structural change. Besides, the magnetic anisotropy constant was determined for each composition. Magnetic thermogravimetric analysis allowed to obtain Curie temperatures corresponding to the formation of hcp-Co(Cr) and fcc-Co(Cr) solid solutions. - Highlights: • Mechanical alloying (MA) induces the formation of solid solutions of Co–Cr system in non-equilibrium. • We report the crystal structure and the magnetic behavior of Co–Cr alloys produced by MA. • MA improves the magnetic properties of Co–Cr system

  16. Recent progress in predicting structural and electronic properties of organic solids with the van der Waals density functional

    Yanagisawa, Susumu, E-mail: shou@sci.u-ryukyu.ac.jp [Department of Physics and Earth Sciences, Faculty of Science, University of the Ryukyus, 1 Senbaru, Nishihara, Okinawa 903-0213 (Japan); Okuma, Koji; Inaoka, Takeshi [Department of Physics and Earth Sciences, Faculty of Science, University of the Ryukyus, 1 Senbaru, Nishihara, Okinawa 903-0213 (Japan); Hamada, Ikutaro, E-mail: Hamada.Ikutaro@nims.go.jp [International Center for Materials Nanoarchitectonics (MANA), National Institute for Materials Science (NIMS), Tsukuba 305-0044 (Japan)

    2015-10-01

    Highlights: • Review of theoretical studies on organic solids with the density-functional methods. • van der Waals (vdW)-inclusive methods to predict cohesive properties of oligoacenes. • A variant of the vdW density functional describes the structures accurately. • The molecular configuration and conformation crucially affects the band dispersion. - Abstract: We review recent studies on electronic properties of the organic solids with the first-principles electronic structure methods, with the emphasis on the roles of the intermolecular van der Waals (vdW) interaction in electronic properties of the organic semiconductors. After a brief summary of the recent vdW inclusive first-principle theoretical methods, we discuss their performance in predicting cohesive properties of oligoacene crystals as examples of organic crystals. We show that a variant of the van der Waals density functional describes structure and energetics of organic crystals accurately. In addition, we review our recent study on the zinc phthalocyanine crystal and discuss the importance of the intermolecular distance and orientational angle in the band dispersion. Finally, we draw some general conclusions and the future perspectives.

  17. Structural characterization of lignin in the process of cooking of cornstalk with solid alkali and active oxygen.

    Yang, Qiulin; Shi, Jianbin; Lin, Lu; Zhuang, Junping; Pang, Chunsheng; Xie, Tujun; Liu, Ying

    2012-05-09

    A novel, efficient, and environmentally friendly technology is used in cornstalk cooking, active oxygen (O₂ and H₂O₂) cooking with solid alkali (MgO). After the cooking, the milled wood lignin in the raw material and pulp and the water-soluble and insoluble lignin in the yellow liquor were all characterized by attenuated total reflectance Fourier transform infrared spectroscopy and two-dimensional heteronuclear single-quantum coherence NMR. The results showed that the cooking procedure with solid alkali and active oxygen had a high selectivity for delignification, which could remove 85.5% of the lignin from the raw material. The syringyl (S/S'/S') units could be dissolved preferentially because of their high reactivity, and a novel guaiacyl unit with a carbonyl group (G') was generated in the cooking process. Moreover, during the cooking, the β-O-4' (A/A'/A″) structures as the main side-chain linkages in all the lignins could be partly broken and the β-O-4' (A') with a ring-conjugated structure was readily attacked by oxygen, whereas the H unit and β-5' and β-β' structures were found to stay stable without characteristic reaction.

  18. Long-lived and largely red-shifted photoluminescence of solid-state rhodamine dyes: Molecular exciton coupling and structural effect

    Zhang, Xian-Fu; Zhang, Ya-Kui

    2015-01-01

    The optical absorption and fluorescence properties of five rhodamine dyes in solid-state are measured and show large difference from that in their gas phase or liquid solvents. All solid-state rhodamine dyes strongly absorb all light in UV and visible region, but emit only red and NIR fluorescence (680–800 nm, >100 nm red-shifted from that in solution). Further more, the absorption maxima of a solid-state rhodamine show a large red-shifted band (~100 nm) and blue-shifted peak (~125 nm) compared to that in solutions, indicating a strong molecular exciton coupling between molecules. All solid-state rhodamines still show reasonably good fluorescence quantum yield (Φ f ). In particular, solid-state Rhodamine B butyl ester and sulfonyl Rhodamine B showed a much longer emission lifetime (τ f ) than that of the corresponding molecular rhodamine, i.e. 4.12 and 4.14 ns in solid state compared to 1.61 and 2.47 ns in solution. The chemical structure of a rhodamine molecule showed dramatic effect on Φ f and τ f values for solid state rhodamine. The larger substituent in the benzene moiety favors higher Φ f and τ f values of rhodamine solids. These effects can be elucidated by the relation between structure-molecular distance and molecular exciton couplings. - Highlights: • Optical properties of solid rhodamines show large difference from that in solutions. • Solid-state rhodamine dyes emit red and NIR fluorescence (680–800 nm). • Solid-state rhodamines still show reasonably good fluorescence quantum yield. • Solid-state rhodamines have much longer fluorescence lifetimes than that in solutions

  19. Long-lived and largely red-shifted photoluminescence of solid-state rhodamine dyes: Molecular exciton coupling and structural effect

    Zhang, Xian-Fu, E-mail: zhangxianfu@tsinghua.org.cn [Institute of Applied Photochemistry & Center of Analysis and Measurements, Hebei Normal University of Science and Technology, Qinhuangdao 066004, Hebei Province (China); MPC Technologies, Hamilton, ON, Canada L8S 3H4 (Canada); Zhang, Ya-Kui [Institute of Applied Photochemistry & Center of Analysis and Measurements, Hebei Normal University of Science and Technology, Qinhuangdao 066004, Hebei Province (China)

    2015-10-15

    The optical absorption and fluorescence properties of five rhodamine dyes in solid-state are measured and show large difference from that in their gas phase or liquid solvents. All solid-state rhodamine dyes strongly absorb all light in UV and visible region, but emit only red and NIR fluorescence (680–800 nm, >100 nm red-shifted from that in solution). Further more, the absorption maxima of a solid-state rhodamine show a large red-shifted band (~100 nm) and blue-shifted peak (~125 nm) compared to that in solutions, indicating a strong molecular exciton coupling between molecules. All solid-state rhodamines still show reasonably good fluorescence quantum yield (Φ{sub f}). In particular, solid-state Rhodamine B butyl ester and sulfonyl Rhodamine B showed a much longer emission lifetime (τ{sub f}) than that of the corresponding molecular rhodamine, i.e. 4.12 and 4.14 ns in solid state compared to 1.61 and 2.47 ns in solution. The chemical structure of a rhodamine molecule showed dramatic effect on Φ{sub f} and τ{sub f} values for solid state rhodamine. The larger substituent in the benzene moiety favors higher Φ{sub f} and τ{sub f} values of rhodamine solids. These effects can be elucidated by the relation between structure-molecular distance and molecular exciton couplings. - Highlights: • Optical properties of solid rhodamines show large difference from that in solutions. • Solid-state rhodamine dyes emit red and NIR fluorescence (680–800 nm). • Solid-state rhodamines still show reasonably good fluorescence quantum yield. • Solid-state rhodamines have much longer fluorescence lifetimes than that in solutions.

  20. Structure of poly (. beta. -alanine) polymerized in the solid state. Koso jugo shita. beta. -alanine no kozo

    Sakabe, Hiroshi; Nakamura, Hiroyoshi; Kimura, Hirokazu; Konishi, Takashi [Kyoto Inst. of Tech., Kyoto (Japan). Faculty of Textile Science

    1989-12-05

    The structure of poly({beta}-alanine) polymerized in the solid state was studied. This polymerization was carried out on a single crystal of {beta}-alanine at 170 centigrade for 40 h in an evacuated tube. The crystal structure of the polymer was assigned to I-type crystal of Nylon 3. The polymer chains were oriented vertical to the crystal side and different to monomer crystal orientation. This may be caused by the molecular layer slipping along the cleavage plane of monomer crystal. A scanning electron microscope(SEM) showed the band structure of hundreds nm width of same orientation, but X ray showed only unoriented rings, so that they are estimated to be the structure of fine fibril like assembly or necklace like continuous chain structure of grains. Near the surface, whiskers which were thought to be oligomer of low degree of polymerization, were observed. The SEM of end view of the etched surface did not show the laminated structure but showed the network structure of about 1 mu-m which is thought to be fibril precursor. 12 refs., 10 figs.

  1. Structural and magnetic properties of a mechanochemically activated Ti-Fe{sub 2}O{sub 3} solid mixture

    Cristobal, A.A. [Instituto de Investigaciones en Ciencia y Tecnologia de Materiales (INTEMA), CONICET-UNMdP, J.B. Justo 4302 - B7608FDQ, Mar del Plata (Argentina); Ramos, C.P. [Centro Atomico Constituyentes (CAC), CNEA, Av. Gral. Paz 1499 (1650), San Martin (Argentina); Consejo Nacional de Investigaciones Cientificas y Tecnicas (CONICET) (Argentina); Bercoff, P.G. [Facultad de Matematica, Astronomia y Fisica (FaMAF), Universidad Nacional de Cordoba, Medina Allende s/n, Ciudad Universitaria, (5000) Cordoba (Argentina); Consejo Nacional de Investigaciones Cientificas y Tecnicas (CONICET) (Argentina); Conconi, S.; Aglietti, E.F. [Centro de Tecnologia de Recursos Minerales y Ceramica (CETMIC), CONICET - CIC, Camino, P. Centenario y 506 - B1897ZCA, M.B. Gonnet (Argentina); Botta, P.M., E-mail: pbotta@fi.mdp.edu.ar [Instituto de Investigaciones en Ciencia y Tecnologia de Materiales (INTEMA), CONICET-UNMdP, J.B. Justo 4302 - B7608FDQ, Mar del Plata (Argentina); Lopez, J.M. Porto [Instituto de Investigaciones en Ciencia y Tecnologia de Materiales (INTEMA), CONICET-UNMdP, J.B. Justo 4302 - B7608FDQ, Mar del Plata (Argentina)

    2010-12-15

    The mechanochemical effects on the reactivity and properties of a titanium/hematite powder mixture with molar ratio of 1/2 are investigated. Crystalline-phase structure, composition, hyperfine and magnetic behaviors were analyzed as a function of activation time by means of X-ray diffraction, scanning electron microscopy, Moessbauer spectroscopy and vibrating sample magnetometry. The results showed that at relatively short activation times metallic Ti reduces part of the ferric ions, yielding a complex product formed mainly by a mix of two solid solutions Fe{sub 3-x}Ti{sub x}O{sub 4} (titanomagnetites), both with very different x values (0 < x < 1). Also metallic iron and superparamagnetic hematite particles were detected by Moessbauer spectroscopy. As the mechanical treatment extends the composition of the reactive mixture changes, prevailing in the end the solid solution with higher x value. In contrast, when these activated samples are thermally treated the fraction of the solid solution which is richer in Ti diminishes. This fact produces a significant variation of the saturation magnetization of the obtained material.

  2. Phase separation in biopolymer gels: a low- to high-solid exploration of structural morphology and functionality.

    Kasapis, Stefan

    2008-04-01

    Phase separation in protein and polysaccharide gels remains one of the basic tools of achieving the required structural properties and textural profile in food product formulations. As ever, the industrialist is faced with the challenge of innovation in an increasingly competitive market in terms of ingredient cost, product added-value, and expectations of a healthy life-style to mention but a few. It appears, however, that a gap persists between the fundamental knowledge and a direct application to food related concepts with a growing need for scientific input. Furthermore, within the context of materials science, there is a tendency to examine research findings in either low- or high-solid systems without considering synergistic insights/benefits to contemporary needs, spanning the full range of relevant time-, length-, and concentration scales. This review highlights the latest attempts made to utilize and further develop fundamental protocols from the advanced synthetic polymer research as a source of inspiration for contemporary bio-related applications in low- and intermediate-solid composite gels. Then, it takes advantage of this school of thought to "force a passage" through the phase topology and molecular dynamics of binary biopolymer mixtures at high levels of co-solute. It is hoped that these phenomenological and fundamental tools should be able to bridge the divide in the analysis of the two "types" of composite materials (from low to high solids) thus dealing effectively with the specific and often intricate problems of their science and applications.

  3. Shape of Multireference, Equation-of-Motion Coupled-Cluster, and Density Functional Theory Potential Energy Surfaces at a Conical Intersection.

    Gozem, Samer; Melaccio, Federico; Valentini, Alessio; Filatov, Michael; Huix-Rotllant, Miquel; Ferré, Nicolas; Frutos, Luis Manuel; Angeli, Celestino; Krylov, Anna I; Granovsky, Alexander A; Lindh, Roland; Olivucci, Massimo

    2014-08-12

    We report and characterize ground-state and excited-state potential energy profiles using a variety of electronic structure methods along a loop lying on the branching plane associated with a conical intersection (CI) of a reduced retinal model, the penta-2,4-dieniminium cation (PSB3). Whereas the performance of the equation-of-motion coupled-cluster, density functional theory, and multireference methods had been tested along the excited- and ground-state paths of PSB3 in our earlier work, the ability of these methods to correctly describe the potential energy surface shape along a CI branching plane has not yet been investigated. This is the focus of the present contribution. We find, in agreement with earlier studies by others, that standard time-dependent DFT (TDDFT) does not yield the correct two-dimensional (i.e., conical) crossing along the branching plane but rather a one-dimensional (i.e., linear) crossing along the same plane. The same type of behavior is found for SS-CASPT2(IPEA=0), SS-CASPT2(IPEA=0.25), spin-projected SF-TDDFT, EOM-SF-CCSD, and, finally, for the reference MRCISD+Q method. In contrast, we found that MRCISD, CASSCF, MS-CASPT2(IPEA=0), MS-CASPT2(IPEA=0.25), XMCQDPT2, QD-NEVPT2, non-spin-projected SF-TDDFT, and SI-SA-REKS yield the expected conical crossing. To assess the effect of the different crossing topologies (i.e., linear or conical) on the PSB3 photoisomerization efficiency, we discuss the results of 100 semiclassical trajectories computed by CASSCF and SS-CASPT2(IPEA=0.25) for a PSB3 derivative. We show that for the same initial conditions, the two methods yield similar dynamics leading to isomerization quantum yields that differ by only a few percent.

  4. Real time, high resolution studies of protein adsorption and structure at the solid-liquid interface using dual polarization interferometry

    Freeman, Neville J; Peel, Louise L; Swann, Marcus J; Cross, Graham H; Reeves, Andrew; Brand, Stuart; Lu, Jian R

    2004-01-01

    A novel method for the analysis of thin biological films, called dual polarization interferometry (DPI), is described. This high resolution (<1 A), laboratory-based technique allows the thickness and refractive index (density) of biological molecules adsorbing or reacting at the solid-liquid interface to be measured in real time (up to 10 measurements per second). Results from the adsorption of bovine serum albumin (BSA) on to a silicon oxynitride chip surface are presented to demonstrate how time dependent molecular behaviour can be examined using DPI. Mechanistic and structural information relating to the adsorption process is obtained as a function of the solution pH

  5. Engineering structure design and fabrication process of small sized China helium-cooled solid breeder test blanket module

    Wang Zeming; Chen Lu; Hu Gang

    2014-01-01

    Preliminary design and analysis for china helium-cooled solid breeder (CHHC-SB) test blanket module (TBM) have been carried out recently. As partial verification that the original size module was reasonable and the development process was feasible, fabrication work of a small sized module was to be carried out targetedly. In this paper, detailed design and structure analysis of small sized TBM was carried out based on preliminary design work, fabrication process and integrated assembly process was proposed, so a fabrication for the trial engineering of TBM was layed successfully. (authors)

  6. On the structure of amorphous calcium carbonate--a detailed study by solid-state NMR spectroscopy.

    Nebel, Holger; Neumann, Markus; Mayer, Christian; Epple, Matthias

    2008-09-01

    The calcium carbonate phases calcite, aragonite, vaterite, monohydrocalcite (calcium carbonate monohydrate), and ikaite (calcium carbonate hexahydrate) were studied by solid-state NMR spectroscopy ( (1)H and (13)C). Further model compounds were sodium hydrogencarbonate, potassium hydrogencarbonate, and calcium hydroxide. With the help of these data, the structure of synthetically prepared additive-free amorphous calcium carbonate (ACC) was analyzed. ACC contains molecular water (as H 2O), a small amount of mobile hydroxide, and no hydrogencarbonate. This supports the concept of ACC as a transient precursor in the formation of calcium carbonate biominerals.

  7. Solid state supramolecular structure of diketopyrrolopyrrole chromophores: correlating stacking geometry with visible light absorption

    Pop, Flavia; Lewis, William; Amabilino, David B.

    2016-01-01

    Mono- and di-alkylated 1,4-diketo-3,6-dithiophenylpyrrolo[3-4-c]pyrrole derivatives (TDPPs) have been synthesised and their solid state packing and absorption properties have been correlated. In this library of compounds the bulkier substituents distort the geometry of the chromophores and shift the lowest energy absorption band as a consequence of reduced π–π stacking and inter-chromophore overlap. Longitudinal displacement of the conjugated core is affected by donor–acceptor intermolecular ...

  8. Characterizing the Secondary Protein Structure of Black Widow Dragline Silk Using Solid-State NMR & X-ray Diffraction

    Jenkins, Janelle E.; Sampath, Sujatha; Butler, Emily; Kim, Jihyun; Henning, Robert W.; Holland, Gregory P.; Yarger, Jeffery L.

    2013-01-01

    This study provides a detailed secondary structural characterization of major ampullate dragline silk from Latrodectus hesperus (black widow) spiders. X-ray diffraction results show that the structure of black widow major ampullate silk fibers is comprised of stacked β-sheet nanocrystallites oriented parallel to the fiber axis and an amorphous region with oriented (anisotropic) and isotropic components. The combination of two-dimensional (2D) 13C-13C through-space and through-bond solid-state NMR experiments provide chemical shifts that are used to determine detailed information about amino acid motif secondary structure in black widow spider dragline silk. Individual amino acids are incorporated into different repetitive motifs that make up the majority of this protein-based biopolymer. From the solid-state NMR measurements, we assign distinct secondary conformations to each repetitive amino acid motif and hence to the amino acids that make up the motifs. Specifically, alanine is incorporated in β-sheet (poly(Alan) and poly(Gly-Ala)), 31-helix (poly(Gly-Gly-Xaa), and α-helix (poly(Gln-Gln-Ala-Tyr)) components. Glycine is determined to be in β-sheet (poly(Gly-Ala)) and 31-helical (poly(Gly-Gly-Xaa)) regions, while serine is present in β-sheet (poly(Gly-Ala-Ser)), 31-helix (poly(Gly-Gly-Ser)), and β-turn (poly(Gly-Pro-Ser)) structures. These various motif-specific secondary structural elements are quantitatively correlated to the primary amino acid sequence of major ampullate spidroin 1 and 2 (MaSp1 and MaSp2) and are shown to form a self-consistent model for black widow dragline silk. PMID:24024617

  9. Multidimensional structure of a questionnaire to assess barriers to and motivators of physical activity in recipients of solid organ transplantation.

    van Adrichem, Edwin J; Krijnen, Wim P; Dekker, Rienk; Ranchor, Adelita V; Dijkstra, Pieter U; van der Schans, Cees P

    2017-11-01

    To explore the underlying dimensions of the Barriers and Motivators Questionnaire that is used to assess barriers to and motivators of physical activity experienced by recipients of solid organ transplantation and thereby improve the application in research and clinical settings. A cross-sectional study was performed in recipients of solid organ transplantation (n = 591; median (IQR) age = 59 (49; 66); 56% male). The multidimensional structure of the questionnaire was analyzed by exploratory principal component analysis. Cronbach's α was calculated to determine internal consistency of the entire questionnaire and individual components. The barriers scale had a Cronbach's α of 0.86 and was subdivided into four components; α of the corresponding subscales varied between 0.80 and 0.66. The motivator scale had an α of 0.91 and was subdivided into four components with an α between 0.88 to 0.70. Nine of the original barrier items and two motivator items were not included in the component structure. A four-dimensional structure for both the barriers and motivators scale of the questionnaire is supported. The use of the indicated subscales increases the usability in research and clinical settings compared to the overall scores and provide opportunities to identify modifiable constructs to be targeted in interventions. Implications for rehabilitation Organ transplant recipients are less active than the general population despite established health benefits of physical activity. A multidimensional structure is shown in the Barriers and Motivators Questionnaire, the use of the identified subscales increases applicability in research and clinical settings. The use of the questionnaire with its component structure in the clinical practice of a rehabilitation physician could result in a faster assessment of problem areas in daily practice and result in a higher degree of clarity as opposed to the use of the individual items of the questionnaire.

  10. Conical Perspective Image of an Architectural Object Close to Human Perception

    Dzwierzynska, Jolanta

    2017-10-01

    The aim of the study is to develop a method of computer aided constructing conical perspective of an architectural object, which is close to human perception. The conical perspective considered in the paper is a central projection onto a projection surface being a conical rotary surface or a fragment of it. Whereas, the centre of projection is a stationary point or a point moving on a circular path. The graphical mapping results of the perspective representation is realized directly on an unrolled flat projection surface. The projective relation between a range of points on a line and the perspective image of the same range of points received on a cylindrical projection surface permitted to derive formulas for drawing perspective. Next, the analytical algorithms for drawing perspective image of a straight line passing through any two points were formulated. It enabled drawing a perspective wireframe image of a given 3D object. The use of the moving view point as well as the application of the changeable base elements of perspective as the variables in the algorithms enable drawing conical perspective from different viewing positions. Due to this fact, the perspective drawing method is universal. The algorithms are formulated and tested in Mathcad Professional software, but can be implemented in AutoCAD and majority of computer graphical packages, which makes drawing a perspective image more efficient and easier. The presented conical perspective representation, and the convenient method of its mapping directly on the flat unrolled surface can find application for numerous advertisement and art presentations.

  11. The plastic instability of clamped-clamped conical thin-walled pipe reducers

    Awad, Ibrahim; Saleh, Ch.A.R.; Ragab, A.R.

    2016-01-01

    The analytical study for plastic deformation of clamped–clamped conical reducer pipe under internal pressure does not deduce a closed form expression for the pressure at plastic instability. The presented study employs finite element analysis (FEA) to estimate the internal pressure at instability for conical reducers made of different materials and having different dimensional configurations. Forty dimensional configurations, classified as medium type, and five types of materials have been included in the analysis using ABAQUS package. A correlation expression is derived by nonlinear regression to predict the instability pressure. The proposed expression is verified for other dimensional configurations out of the above used forty models and for other materials. Experiments have been conducted by pressurizing conical clamped-clamped reducers until bursting in order to verify the finite element models. Comparison of instability pressures, strains and deflections at specific points along the conical surface shows satisfactory agreement between analysis and experiments. - Highlights: • This study offers a parametric study of the plastic instability pressure of clamped-clamped conical reducers. • A closed form analytical expression for the instability pressure is derived by using nonlinear regression. • The finite element analysis is validated by conducting bursting tests.

  12. Photoelectron spectroscopic studies of the electronic structure of some metals and ionic solids

    Poole, R.T.

    1974-01-01

    The source of u.v. radiation used was a d.c. glow discharge in either helium or neon gas. Photons of energy 40.81 eV from a helium discharge were used predominantly for measurements on solid state materials. The design, construction and operating characteristics of the inert gas discharge lamp are presented and the operating characteristics of the lamp were investigated in order to improve progressively the design of the lamp and also to determine under what operating conditions the production of 40.81 eV radiation is maximized. The electron optics of a spherical electrostatic (π/2) -sector, electron energy analyzer and its transmission properties, for monoenergetic and nonmonoenergetic photoelectron sources, under constant resolution mode of operation are presented. In order to perform quantitative measurements energy calibration techniques for solid and gaseous samples and an intensity calibration technique for angular distribution measurements was developed. Measurements of the splittings of the 3d, 4d and 5d bands in some metals in the atomic number range Z = 29 - 83 are compared to free atom values and evidence for crystal field effects is presented. Measurements on eighteen alkali halides are compared with the predictions of the Born model for strongly ionic crystals. (author)

  13. Municipal solid waste generation in municipalities: quantifying impacts of household structure, commercial waste and domestic fuel.

    Lebersorger, S; Beigl, P

    2011-01-01

    Waste management planning requires reliable data concerning waste generation, influencing factors on waste generation and forecasts of waste quantities based on facts. This paper aims at identifying and quantifying differences between different municipalities' municipal solid waste (MSW) collection quantities based on data from waste management and on socio-economic indicators. A large set of 116 indicators from 542 municipalities in the Province of Styria was investigated. The resulting regression model included municipal tax revenue per capita, household size and the percentage of buildings with solid fuel heating systems. The model explains 74.3% of the MSW variation and the model assumptions are met. Other factors such as tourism, home composting or age distribution of the population did not significantly improve the model. According to the model, 21% of MSW collected in Styria was commercial waste and 18% of the generated MSW was burned in domestic heating systems. While the percentage of commercial waste is consistent with literature data, practically no literature data are available for the quantity of MSW burned, which seems to be overestimated by the model. The resulting regression model was used as basis for a waste prognosis model (Beigl and Lebersorger, in preparation). Copyright © 2011 Elsevier Ltd. All rights reserved.

  14. Surface morphology and structure of Ge layer on Si(111) after solid phase epitaxy

    Yoshida, Ryoma; Tosaka, Aki; Shigeta, Yukichi

    2018-05-01

    The surface morphology change of a Ge layer on a Si(111) surface formed by solid phase epitaxy has been investigated with a scanning tunneling microscope (STM). The Ge film was deposited at room temperature and annealed at 400 °C or 600 °C. The STM images of the sample surface after annealing at 400 °C show a flat wetting layer (WL) with small three-dimensional islands on the WL. After annealing at 600 °C, the STM images show a surface roughening with large islands. From the relation between the average height of the roughness and the deposited layer thickness, it is confirmed that the diffusion of Ge atoms becomes very active at 600 °C. The Si crystal at the interface is reconstructed and the intermixing occurs over 600 °C. However, the intermixing is fairly restricted in the solid phase epitaxy growth at 400 °C. The surface morphology changes with the crystallization at 400 °C are discussed by the shape of the islands formed on the WL surface. It is shown that the diffusion of the Ge atoms in the amorphous phase is active even at 400 °C.

  15. Design study of blanket structure based on a water-cooled solid breeder for DEMO

    Someya, Youji; Tobita, Kenji; Utoh, Hiroyasu; Tokunaga, Shinji; Hoshino, Kazuo; Asakura, Nobuyuki; Nakamura, Makoto; Sakamoto, Yoshiteru

    2015-10-15

    Highlights: • Neutronics design of a water-cooled solid mixed breeder blanket was presented. • The blanket concept achieves a self-sufficient supply of tritium by neutronics analysis. • The overall outlet coolant temperature was 321 °C, which is in the acceptable range. - Abstract: Blanket concept with a simplified interior for mass production has been developed using a mixed bed of Li{sub 2}TiO{sub 3} and Be{sub 12}Ti pebbles, coolant conditions of 15.5 MPa and 290–325 °C and cooling pipes without any partitions. Considering the continuity with the ITER test blanket module option of Japan and the engineering feasibility in its fabrication, our design study focused on a water-cooled solid breeding blanket using the mixed pebbles bed. Herein, we propose blanket segmentation corresponding to the shape and dimension of the blanket and routing of the coolant flow. Moreover, we estimate the overall tritium breeding ratio (TBR) with a torus configuration, based on the segmentation using three-dimensional (3D) Monte Carlo N-particle calculations. As a result, the overall TBR is 1.15. Our 3D neutronics analysis for TBR ensures that the blanket concept can achieve a self-sufficient supply of tritium.

  16. Municipal solid waste generation in municipalities: Quantifying impacts of household structure, commercial waste and domestic fuel

    Lebersorger, S.; Beigl, P.

    2011-01-01

    Waste management planning requires reliable data concerning waste generation, influencing factors on waste generation and forecasts of waste quantities based on facts. This paper aims at identifying and quantifying differences between different municipalities' municipal solid waste (MSW) collection quantities based on data from waste management and on socio-economic indicators. A large set of 116 indicators from 542 municipalities in the Province of Styria was investigated. The resulting regression model included municipal tax revenue per capita, household size and the percentage of buildings with solid fuel heating systems. The model explains 74.3% of the MSW variation and the model assumptions are met. Other factors such as tourism, home composting or age distribution of the population did not significantly improve the model. According to the model, 21% of MSW collected in Styria was commercial waste and 18% of the generated MSW was burned in domestic heating systems. While the percentage of commercial waste is consistent with literature data, practically no literature data are available for the quantity of MSW burned, which seems to be overestimated by the model. The resulting regression model was used as basis for a waste prognosis model (Beigl and Lebersorger, in preparation).

  17. Extended x-ray absorption fine structure (EXAFS): a novel probe for local structure of glassy solids

    Wong, J.

    1979-01-01

    The extended x-ray absorption fine structure (EXAFS) is the oscillation in the absorption coefficient extending a few hundred eVs on the high energy side of an x-ray absorption edge. This mode of spectroscopy has recently been realized to be a powerful tool in probing the local atomic structure of all states of matter, particularly with the advent of intense synchrotron radiation. More importantly is the unique ability of EXAFS to probe the structure and dynamics around individual atomic species in a multi-atomic system. In this paper, the physical processes associated with the EXAFS phenomenon will be discussed. Experimental results obtained at the Stanford Synchrotron Radiation Laboratory on some oxide and metallic glasses will be presented. The local structure in these materials are elucidated using a Fourier transform technique

  18. Structural evolution in three and four-layer Aurivillius solid solutions: A comparative study versus relaxor properties

    Tellier, Jenny; Boullay, Philippe; Ben Jennet, Dorra; Mercurio, Daniele

    2008-02-01

    Two solid solutions of three-layer Ba xBi 4- xNb xTi 3- xO 12 (0 ≤ x ≤ 1.2) and four-layer Aurivillius compounds (Na 0.5Bi 0.5) 1- xBa xBi 4Ti 4O 15 (0 ≤ x ≤ 1), which both present a ferroelectric to relaxor-like transition with increasing x, were synthesized by solid state reaction. The evolution of their crystal structures, as a function of x, was performed using Rietveld refinements from X-ray powder diffraction data. As x increases, the average crystal structures become less distorted with respect to the archetypal high temperature tetragonal one and the coordination number of Bi 3+ in M 2O 2 layers continuously changes from {4 + 2} to {4}. The relaxor behaviour which appears in samples for a tolerance factor t > 0.96 is associated with a general static disorder in A and M sites together with the presence of some Ba 2+ cations in M 2O 2 layers (less than 10%).

  19. Crystal structure and magnetic properties of the solid-solution phase Ca3Co2-v Sc v O6

    Hervoches, Charles H.; Fredenborg, Vivian Miksch; Kjekshus, Arne; Fjellvag, Helmer; Hauback, Bjorn C.

    2007-01-01

    The two crystallographically non-equivalent Co atoms of the quasi-one-dimensional crystal structure of Ca 3 Co 2 O 6 form chains with alternating, face-sharing polyhedra of Co2O 6 trigonal prisms and Co1O 6 octahedra. This compound forms a substitutional solid-solution phase with Sc, in which the Sc atoms enter the Co2 sublattice exclusively. The homogeneity range of Ca 3 Co 2- v Sc v O 6 (more specifically Ca 3 Co1Co2 1- v Sc v O 6 ) extends up to v∼0.55. The crystal structure belongs to space group R3-barc with lattice parameters (in hexagonal setting): 9.0846(3)≤a≤9.1300(2) A and 10.3885(4)≤c≤10.4677(4) A. The magnetic moment decreases rapidly with increasing amount of the non-magnetic Sc solute in the lattice. - Graphical abstract: The quasi-one-dimensional Ca 3 Co 2 O 6 phase forms a substitutional solid-solution system with Sc, in which the Sc atoms enter the Co2 sublattice exclusively. The homogeneity range of Ca 3 Co 2- v Sc v O 6 extends up to v∼0.55. The magnetic moment decreases rapidly with increasing amount of the non-magnetic Sc solute in the lattice

  20. 2D {sup 31}P solid state NMR spectroscopy, electronic structure and thermochemistry of PbP{sub 7}

    Benndorf, Christopher [Institut für Anorganische und Analytische Chemie, Universität Münster, Corrensstraße 30, 48149 Münster (Germany); Institut für Physikalische Chemie, Universität Münster, Corrensstraße 30, 48149 Münster (Germany); Hohmann, Andrea; Schmidt, Peer [Brandenburgische Technische Universität Cottbus-Senftenberg, Fakultät für Naturwissenschaften, Postfach 101548, 01958 Senftenberg (Germany); Eckert, Hellmut, E-mail: eckerth@uni-muenster.de [Institut für Physikalische Chemie, Universität Münster, Corrensstraße 30, 48149 Münster (Germany); Instituto de Física de Sao Carlos, Universidade de Sao Paulo, CEP 369, Sao Carlos, SP 13560-590 (Brazil); Johrendt, Dirk [Department Chemie, Ludwig-Maximilians-Universität München, Butenandtstraße 5-13, D-81377 München (Germany); and others

    2016-03-15

    Phase pure polycrystalline PbP{sub 7} was prepared from the elements via a lead flux. Crystalline pieces with edge-lengths up to 1 mm were obtained. The assignment of the previously published {sup 31}P solid state NMR spectrum to the seven distinct crystallographic sites was accomplished by radio-frequency driven dipolar recoupling (RFDR) experiments. As commonly found in other solid polyphosphides there is no obvious correlation between the {sup 31}P chemical shift and structural parameters. PbP{sub 7} decomposes incongruently under release of phosphorus forming liquid lead as remainder. The thermal decomposition starts at T>550 K with a vapor pressure almost similar to that of red phosphorus. Electronic structure calculations reveal PbP{sub 7} as a semiconductor according to the Zintl description and clearly shows the stereo-active Pb-6s{sup 2} lone pairs in the electron localization function ELF. - Graphical abstract: Coordination of the lead atoms in PbP{sub 7}.

  1. Solid-State High Performance Flexible Supercapacitors Based on Polypyrrole-MnO2-Carbon Fiber Hybrid Structure

    Tao, Jiayou; Liu, Nishuang; Ma, Wenzhen; Ding, Longwei; Li, Luying; Su, Jun; Gao, Yihua

    2013-07-01

    A solid-state flexible supercapacitor (SC) based on organic-inorganic composite structure was fabricated through an ``in situ growth for conductive wrapping'' and an electrode material of polypyrrole (PPy)-MnO2 nanoflakes-carbon fiber (CF) hybrid structure was obtained. The conductive organic material of PPy greatly improved the electrochemical performance of the device. With a high specific capacitance of 69.3 F cm-3 at a discharge current density of 0.1 A cm-3 and an energy density of 6.16 × 10-3 Wh cm-3 at a power density of 0.04 W cm-3, the device can drive a commercial liquid crystal display (LCD) after being charged. The organic-inorganic composite active materials have enormous potential in energy management and the ``in situ growth for conductive wrapping'' method might be generalized to open up new strategies for designing next-generation energy storage devices.

  2. Structure Formation of Ultrathin PEO Films at Solid Interfaces—Complex Pattern Formation by Dewetting and Crystallization

    Hans-Georg Braun

    2013-02-01

    Full Text Available The direct contact of ultrathin polymer films with a solid substrate may result in thin film rupture caused by dewetting. With crystallisable polymers such as polyethyleneoxide (PEO, molecular self-assembly into partial ordered lamella structures is studied as an additional source of pattern formation. Morphological features in ultrathin PEO films (thickness < 10 nm result from an interplay between dewetting patterns and diffusion limited growth pattern of ordered lamella growing within the dewetting areas. Besides structure formation of hydrophilic PEO molecules, n-alkylterminated (hydrophobic PEO oligomers are investigated with respect to self-organization in ultrathin films. Morphological features characteristic for pure PEO are not changed by the presence of the n-alkylgroups.

  3. QMCPACK: an open source ab initio quantum Monte Carlo package for the electronic structure of atoms, molecules and solids

    Kim, Jeongnim; Baczewski, Andrew D.; Beaudet, Todd D.; Benali, Anouar; Chandler Bennett, M.; Berrill, Mark A.; Blunt, Nick S.; Josué Landinez Borda, Edgar; Casula, Michele; Ceperley, David M.; Chiesa, Simone; Clark, Bryan K.; Clay, Raymond C., III; Delaney, Kris T.; Dewing, Mark; Esler, Kenneth P.; Hao, Hongxia; Heinonen, Olle; Kent, Paul R. C.; Krogel, Jaron T.; Kylänpää, Ilkka; Li, Ying Wai; Lopez, M. Graham; Luo, Ye; Malone, Fionn D.; Martin, Richard M.; Mathuriya, Amrita; McMinis, Jeremy; Melton, Cody A.; Mitas, Lubos; Morales, Miguel A.; Neuscamman, Eric; Parker, William D.; Pineda Flores, Sergio D.; Romero, Nichols A.; Rubenstein, Brenda M.; Shea, Jacqueline A. R.; Shin, Hyeondeok; Shulenburger, Luke; Tillack, Andreas F.; Townsend, Joshua P.; Tubman, Norm M.; Van Der Goetz, Brett; Vincent, Jordan E.; ChangMo Yang, D.; Yang, Yubo; Zhang, Shuai; Zhao, Luning

    2018-05-01

    QMCPACK is an open source quantum Monte Carlo package for ab initio electronic structure calculations. It supports calculations of metallic and insulating solids, molecules, atoms, and some model Hamiltonians. Implemented real space quantum Monte Carlo algorithms include variational, diffusion, and reptation Monte Carlo. QMCPACK uses Slater–Jastrow type trial wavefunctions in conjunction with a sophisticated optimizer capable of optimizing tens of thousands of parameters. The orbital space auxiliary-field quantum Monte Carlo method is also implemented, enabling cross validation between different highly accurate methods. The code is specifically optimized for calculations with large numbers of electrons on the latest high performance computing architectures, including multicore central processing unit and graphical processing unit systems. We detail the program’s capabilities, outline its structure, and give examples of its use in current research calculations. The package is available at http://qmcpack.org.

  4. Structural Relaxations and Thermodynamic Properties of Molecular Amorphous Solids by Mechanical Milling

    Tsukushi, I.; Yamamuro, O.; Matsuo, T.

    The organic crystals of tri-O-methyl-β-cyclodextrin (TMCD) and its three clathrate compounds containing benzoic acid (BA), p-nitrobenzoic acid (NBA) and p-hydroxybenzoic acid (HBA), sucrose (SUC), salicin (SAL), phenolphthalein (PP), 1,3,5-tri-α-naphthylbenzene (TNB) were amorphized by milling with a vibrating mill for 2 ˜ 16 hours at room temperature. The amorphization was checked by differential scanning calorimetry (DSC) and X-ray powder diffraction. The heat capacities of crystals, liquid quenched glasses (LQG), and mechanically-milled amorphous solid (MMAS) of TMCD and TNB were measured with an adiabatic calorimeter in the temperature range between 12 and 375 K. For both compounds, the enthalpy relaxation of MMAS appeared in the wide temperature range below Tg and the released configurational enthalpy was much larger than that of LQG, indicating that MMAS is more disordered and strained than LQG.

  5. Solid structures of the stepwise self-assembled copillar[5]arene-based supramolecular polymers

    Park, Yeon Sil; Hwang, Seong Min; Shin, Jae Yeon; Paek, Kyung Soo [Dept. of Chemistry, Soongsil University, Seoul (Korea, Republic of)

    2016-10-15

    Development of supramolecular polymer has attracted much interest because of their interesting properties such as stimuli-responsiveness, recycling, self-healing and degradability, and their consequential applications. The essential feature of this class of polymers is the self-assembly of discrete monomeric subunits via non-covalent interactions or dynamic covalent bonds. Among the many monomeric subunits, pillar[n]arenes have been ideal building blocks for the fabrication of polymeric supramolecules because of their intrinsic characteristics. The ring-shaped morphologies in supramolecular polymer P are probably due to the tendency of the end-to-end connection in the solid state of long flexible supramolecular chains. The size increase of nano-rings as the stepwise addition increases might be due to the fact that the linear supramolecular polymer P in solution seems to be maintained until the nano-ring formation by solidification.

  6. Structure of shocks in solids and liquids: Six reprints with an introduction

    Wallace, D.C.

    1991-01-01

    This monograph consists of six papers on the theory of shocks in solids and liquids, reprinted from Physical Review, together with an introduction summarizing the complete shock theory and its limitations. The shock theory of this monograph is based on the principles of irreversible thermodynamics, characterized as follows. First, in equilibrium thermodynamics, materials are required to pass through states which lie on the equilibrium surface. In irreversible thermodynamics, materials pass through nonequilibrium states, but only those states which are close to the equilibrium surface, specifically, those states for which the equilibrium properties of temperature and entropy are still reasonably well defined. To construct an irreversible thermodynamic theory it is necessary to define the variables which measure the departure from equilibrium, to express the effect of these variables by a modification of the equilibrium thermodynamic equations, and to write an equation for the (irreversible) entropy generation. These principles are applied to planar shocks in the reprints collected here

  7. Solid structures of the stepwise self-assembled copillar[5]arene-based supramolecular polymers

    Park, Yeon Sil; Hwang, Seong Min; Shin, Jae Yeon; Paek, Kyung Soo

    2016-01-01

    Development of supramolecular polymer has attracted much interest because of their interesting properties such as stimuli-responsiveness, recycling, self-healing and degradability, and their consequential applications. The essential feature of this class of polymers is the self-assembly of discrete monomeric subunits via non-covalent interactions or dynamic covalent bonds. Among the many monomeric subunits, pillar[n]arenes have been ideal building blocks for the fabrication of polymeric supramolecules because of their intrinsic characteristics. The ring-shaped morphologies in supramolecular polymer P are probably due to the tendency of the end-to-end connection in the solid state of long flexible supramolecular chains. The size increase of nano-rings as the stepwise addition increases might be due to the fact that the linear supramolecular polymer P in solution seems to be maintained until the nano-ring formation by solidification

  8. Evaluation of optional fee structures for solid waste management in China.

    Wu, Yun-Ga; Chu, Zhu-Jie; Zhuang, Jun

    2018-06-01

    A municipal solid waste fee has become an important means for the implementation of the waste management rendered by the government all around the world. Based on the ecological environmental compensation theory, this article constructs an analytical framework of waste charging from the perspective of public policy evaluation, to carry on the comprehensive comparison and analysis to the operability, feasibility, validity, rationality, and universality of the two modes of waste charging: Ration charge and unit-pricing modes. The results indicate that in the cities with large amounts of waste production, long time of waste charging, and high disposal rate, pilot projects should be carried out; and the government needs to improve the construction of associated laws and regulations.

  9. Structural and mechanical design challenges of space shuttle solid rocket boosters separation and recovery subsystems

    Woodis, W. R.; Runkle, R. E.

    1985-01-01

    The design of the space shuttle solid rocket booster (SRB) subsystems for reuse posed some unique and challenging design considerations. The separation of the SRBs from the cluster (orbiter and external tank) at 150,000 ft when the orbiter engines are running at full thrust meant the two SRBs had to have positive separation forces pushing them away. At the same instant, the large attachments that had reacted launch loads of 7.5 million pounds thrust had to be servered. These design considerations dictated the design requirements for the pyrotechnics and separation rocket motors. The recovery and reuse of the two SRBs meant they had to be safely lowered to the ocean, remain afloat, and be owed back to shore. In general, both the pyrotechnic and recovery subsystems have met or exceeded design requirements. In twelve vehicles, there has only been one instance where the pyrotechnic system has failed to function properly.

  10. Ti α - ω phase transformation and metastable structure, revealed by the solid-state nudged elastic band method

    Zarkevich, Nikolai; Johnson, Duane D.

    Titanium is on of the four most utilized structural metals, and, hence, its structural changes and potential metastable phases under stress are of considerable importance. Using DFT+U combined with the generalized solid-state nudged elastic band (SS-NEB) method, we consider the pressure-driven transformation between Ti α and ω phases, and find an intermediate metastable body-centered orthorhombic (bco) structure of lower density. We verify its stability, assess the phonons and electronic structure, and compare computational results to experiment. Interestingly, standard density functional theory (DFT) yields the ω phase as the Ti ground state, in contradiction to the observed α phase at low pressure and temperature. We correct this by proper consideration of the strongly correlated d-electrons, and utilize DFT+U method in the SS-NEB to obtain the relevant transformation pathway and structures. We use methods developed with support by the U.S. Department of Energy (DE-FG02-03ER46026 and DE-AC02-07CH11358). Ames Laboratory is operated for the DOE by Iowa State University under Contract DE-AC02-07CH11358.

  11. Characterization of changes of lignin structure in the processes of cooking with solid alkali and different active oxygen.

    Yang, Qiulin; Shi, Jianbin; Lin, Lu; Peng, Lincai; Zhuang, Junping

    2012-11-01

    The cooking with solid alkali and active oxygen has a high selectivity for delignification. In the present work, the O(2) and H(2)O(2) were separately combined with MgO used in cornstalk cooking for investigating their effects on delignification. After cooking, the lignins in raw material, pulp, and yellow liquor were all characterized by HSQC NMR. The results showed that the syringyl (S/S'/S″) units and β-O-4' (A/A'/A″) structures had different reactivity in the cooking with MgO and H(2)O(2) due to their different structures on side-chains. Whereas the syringyl (S/S'/S″) units could be completely decomposed when the MgO and O(2) were used, and the β-O-4' (A/A'/A″) structures could be partly degraded. A novel structure G' unit with a carbonyl group was only generated in the cooking with MgO and O(2). In addition, the H unit, non-phenolic β-β' (B) and β-5' (C) structures were all stable in both of the two cooking processes. Crown Copyright © 2012. Published by Elsevier Ltd. All rights reserved.

  12. Kinetics and mechanism of solid-phase reactions of formation of yttrium ferrite with garnet structure

    Pashchenko, V P; Yakushevskaya, F T; Chalyi, V P

    1977-04-01

    The perovskite phase is formed in the process of ferrogarnet formation both from the mixture of Y and Fe oxides and from mutually precipitated carbonates. The amount of the perovskite phase decreases with increasing duration of annealing. The process of the ferritoformation in the investigated systems can be presented as isovalent cationic substitution on the basis of the crystalline structure of Y/sub 2/O/sub 3/ with the formation of the perovskite structure. When the Fe concentration in orthoferrite increases, the phase with a garnet structure is formed.

  13. Structural and Electrochemical Consequences of Al and Ga Cosubstitution in Li7La3Zr2O12 Solid Electrolytes.

    Rettenwander, Daniel; Redhammer, Günther; Preishuber-Pflügl, Florian; Cheng, Lei; Miara, Lincoln; Wagner, Reinhard; Welzl, Andreas; Suard, Emmanuelle; Doeff, Marca M; Wilkening, Martin; Fleig, Jürgen; Amthauer, Georg

    2016-04-12

    Several "Beyond Li-Ion Battery" concepts such as all solid-state batteries and hybrid liquid/solid systems envision the use of a solid electrolyte to protect Li-metal anodes. These configurations are very attractive due to the possibility of exceptionally high energy densities and high (dis)charge rates, but they are far from being realized practically due to a number of issues including high interfacial resistance and difficulties associated with fabrication. One of the most promising solid electrolyte systems for these applications is Al or Ga stabilized Li 7 La 3 Zr 2 O 12 (LLZO) based on high ionic conductivities and apparent stability against reduction by Li metal. Nevertheless, the fabrication of dense LLZO membranes with high ionic conductivity and low interfacial resistances remains challenging; it definitely requires a better understanding of the structural and electrochemical properties. In this study, the phase transition from garnet ( Ia 3̅ d , No. 230) to "non-garnet" ( I 4̅3 d , No. 220) space group as a function of composition and the different sintering behavior of Ga and Al stabilized LLZO are identified as important factors in determining the electrochemical properties. The phase transition was located at an Al:Ga substitution ratio of 0.05:0.15 and is accompanied by a significant lowering of the activation energy for Li-ion transport to 0.26 eV. The phase transition combined with microstructural changes concomitant with an increase of the Ga/Al ratio continuously improves the Li-ion conductivity from 2.6 × 10 -4 S cm -1 to 1.2 × 10 -3 S cm -1 , which is close to the calculated maximum for garnet-type materials. The increase in Ga content is also associated with better densification and smaller grains and is accompanied by a change in the area specific resistance (ASR) from 78 to 24 Ω cm 2 , the lowest reported value for LLZO so far. These results illustrate that understanding the structure-properties relationships in this class of materials

  14. Structural analysis and magnetic properties of solid solutions of Co–Cr system obtained by mechanical alloying

    Betancourt-Cantera, J.A. [Área Académica de Ciencias de la Tierra y Materiales, UAEH Carr., Pachuca-Tulancingo Km. 4.5, Pachuca, Hidalgo 42184 (Mexico); Sánchez-De Jesús, F., E-mail: fsanchez@uaeh.edu.mx [Área Académica de Ciencias de la Tierra y Materiales, UAEH Carr., Pachuca-Tulancingo Km. 4.5, Pachuca, Hidalgo 42184 (Mexico); Bolarín-Miró, A.M. [Área Académica de Ciencias de la Tierra y Materiales, UAEH Carr., Pachuca-Tulancingo Km. 4.5, Pachuca, Hidalgo 42184 (Mexico); Betancourt, I.; Torres-Villaseñor, G. [Departamento de Materiales Metálicos y Cerámicos, Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, México D.F. 04510 (Mexico)

    2014-03-15

    In this paper, a systematic study on the structural and magnetic properties of Co{sub 100−x}Cr{sub x} alloys (0solid solutions based on Co-hcp, Co-fcc and Cr-bcc structures were obtained. The saturation polarization indicated a maximum value of 1.17 T (144 Am{sup 2}/kg) for the Co{sub 90}Cr{sub 10}, which decreases with the increasing of the Cr content up to x=80, as a consequence of the dilution effect of the magnetic moment which is caused by the Cr content and by the competition between ferromagnetic and antiferromagnetic exchange interactions. The coercivity increases up to 34 kA/m (435 Oe) for Co{sub 40}Cr{sub 60}. For Cr rich compositions, it is observed an important decrease reaching 21 kA/m (272 Oe) for Co{sub 10}Cr{sub 90,} it is related to the grain size and the structural change. Besides, the magnetic anisotropy constant was determined for each composition. Magnetic thermogravimetric analysis allowed to obtain Curie temperatures corresponding to the formation of hcp-Co(Cr) and fcc-Co(Cr) solid solutions. - Highlights: • Mechanical alloying (MA) induces the formation of solid solutions of Co–Cr system in non-equilibrium. • We report the crystal structure and the magnetic behavior of Co–Cr alloys produced by MA. • MA improves the magnetic properties of Co–Cr system.

  15. CONDENSED MATTER: STRUCTURE, MECHANICAL AND THERMAL PROPERTIES: Molecular Dynamics Study of Stability of Solid Solutions and Amorphous Phase in the Cu-Al System

    Yang, Bin; Lai, Wen-Sheng

    2009-06-01

    The relative stability of fcc and bcc solid solutions and amorphous phase with different compositions in the Cu-Al system is studied by molecular dynamics simulations with n-body potentials. For Cu1-xAlx alloys, the calculations show that the fcc solid solution has the lowest energies in the composition region with x 0.72, while the bee solid solution has the lowest energies in the central composition range, in agreement with the ball-milling experiments that a single bcc solid solution with 0.30 < x < 0.70 is obtained. The evolution of structures in solid solutions and amorphous phase is studied by the coordination number (CN) and bond-length analysis so as to unveil the underlying physics. It is found that the energy sequence among three phases is determined by the competition in energy change originating from the bond length and CNs (or the number of bonds).

  16. An Automated Fluid-Structural Interaction Analysis of a Large Segmented Solid Rocket Motor

    Rex, Brian

    2003-01-01

    ... couple the ABAQUS structural solver with FLUENT, the computational fluid dynamics (CFD) solver. This iterative process automatically used the results of one solver as the inputs to the other solver until convergence to a solution was obtained...

  17. An Automated Fluid-Structural Interaction Analysis of a Large Segmented Solid Rocket Motor

    Rex, Brian

    2003-01-01

    .... The fluid-structural interaction (FSI) analysis of the ETM-3 motor used PYTHON, a powerful programming language, and FEM BUILDER, a pre- and post processor developed by ATK Thiokol Propulsion under contract to the AFRL, to automatically...

  18. Structural properties of hydrogen isotopes in solid phase in the context of inertial confinement fusion

    Guerrero Carlo

    2013-11-01

    Full Text Available Quality of Deuterium-Tritium capsules is a critical aspect in Inertial Confinement Fusion. In this work, we present a Quantum Molecular Dynamics methodology able to model hydrogen isotopes and their structural molecular organisation at extreme pressures and cryogenic temperatures (< 15 K. Our study sets up the basis for a future analysis on the mechanical and structural properties of DT-ice in inertial confinement fusion (ICF target manufacturing conditions.

  19. Numerical Calculation for Whirling Motion of a Centrifugal Blood Pump with Conical Spiral Groove Bearings

    Shigemaru, Daichi; Tsukamoto, Hiroshi

    2010-06-01

    Whirling motion of a pump impeller was calculated for the centrifugal blood pump with Conical Spiral Groove Bearings to get a criterion for the instability of impeller whirling motion. The motion of the centrifugal blood pump impeller was calculated based on a spring damping model, and unsteady flow in the pump was computed using the commercial CFD package ANSYS CFX. Also the whirling motion of rotating impeller was measured using two displacement sensors fixed to the blood pump casing. The numerical calculations were done for the blood pump impeller with conical spiral groove bearings, and impeller whirling motion was evaluated.

  20. Spectral and spatial characteristics of third-harmonic generation in conical light beams

    Peet, V.E.; Shchemeljov, S.V.

    2003-01-01

    Generation of resonance-enhanced third harmonic in Bessel and other conical beams is analyzed from a simple picture, where the fundamental light field is decomposed into elementary configurations of crossed plain-wave sub-beams. We show that the overall harmonic output can be derived as a superposition of all partial harmonic components driven by elementary configurations of the fundamental field. Good agreement with experimental observations has been obtained in simulation of spectral and spatial characteristics of the generated third harmonic. Some peculiarities of harmonic generation in conical light fields are discussed

  1. Influence of Test Section Geometry on the Blast Environment in an Explosively Driven Conical Shock Tube

    2018-03-30

    ARL-TR-8335•MAR 2018 US Army Research Laboratory Influence of Test Section Geometry on theBlast Environment in an Explosively DrivenConical Shock...ARL-TR-8335•MAR 2018 US Army Research Laboratory Influence of Test Section Geometry on theBlast Environment in an Explosively DrivenConical Shock...TITLE AND SUBTITLE    5a. CONTRACT NUMBER  5b. GRANT NUMBER  5c. PROGRAM ELEMENT NUMBER 6. AUTHOR(S)    5d.  PROJECT  NUMBER  5e. TASK NUMBER  5f

  2. Practical conic sections the geometric properties of ellipses, parabolas and hyperbolas

    Downs, J W

    2010-01-01

    Illustrated with interesting examples from everyday life, this text shows how to create ellipses, parabolas, and hyperbolas and presents fascinating historical background on their ancient origins. The text starts with a discussion of techniques for generating the conic curves, showing how to create accurate depictions of large or small conic curves and describing their reflective properties, from light in telescopes to sound in microphones and amplifiers. It further defines the role of curves in the construction of auditoriums, antennas, lamps, and numerous other design applications. Only a ba

  3. Power of the Poincaré group: elucidating the hidden symmetries in focal conic domains.

    Alexander, Gareth P; Chen, Bryan Gin-Ge; Matsumoto, Elisabetta A; Kamien, Randall D

    2010-06-25

    Focal conic domains are typically the "smoking gun" by which smectic liquid crystalline phases are identified. The geometry of the equally spaced smectic layers is highly generic but, at the same time, difficult to work with. In this Letter we develop an approach to the study of focal sets in smectics which exploits a hidden Poincaré symmetry revealed only by viewing the smectic layers as projections from one-higher dimension. We use this perspective to shed light upon several classic focal conic textures, including the concentric cyclides of Dupin, polygonal textures, and tilt-grain boundaries.

  4. Power of the Poincare Group: Elucidating the Hidden Symmetries in Focal Conic Domains

    Alexander, Gareth P.; Chen, Bryan Gin-ge; Matsumoto, Elisabetta A.; Kamien, Randall D.

    2010-01-01

    Focal conic domains are typically the 'smoking gun' by which smectic liquid crystalline phases are identified. The geometry of the equally spaced smectic layers is highly generic but, at the same time, difficult to work with. In this Letter we develop an approach to the study of focal sets in smectics which exploits a hidden Poincare symmetry revealed only by viewing the smectic layers as projections from one-higher dimension. We use this perspective to shed light upon several classic focal conic textures, including the concentric cyclides of Dupin, polygonal textures, and tilt-grain boundaries.

  5. A new approach to evaluate the response functions for conical and cylindrical collimators

    Gigante, G.E.

    1989-01-01

    A new approach to the evaluation of the conical collimator response function is shown. The basic collimator formulae are reviewed. The collimator response function has been found in a very easy way. An approximate solution has been introduced. Studying the response of a measuring system, the use of this approximation strongly reduces the complexity of the relations to be used; therefore it would provide a useful starting point for a Monte Carlo calculation. The errors introduced are less than 10%. Approximate relations that allow the evaluation of the response of conical and cylindrical collimators to plane and line sources are also given. (orig.)

  6. Centrifugal extractor for liquid-liquid extraction with solid particles in suspension and installation using several extractors

    Bathellier, A.; Germain, M.; Lamotte, C.; Pasquiou, J.Y.

    1986-01-01

    The design claimed avoid clogging the extractor by solids which are collected in a conical decantation chamber. Application is made to the separation of the aqueous nitric solution, the organic phase of TBP diluted by an aliphatic hydrocarbon and heavy solid particles during spent fuel reprocessing [fr

  7. Structural Modifications and Photophysical Studies of Fluorescent Conjugated Polymers for Solid State Sensor Development

    Chen, Anting

    Fluorescent conjugated polymers (FCPs) represent an exciting area of research in chemosensors and biosensors. Previously, the polymer tmeda-PPETE, N,N,N'-trimethylethylenediamino (tmeda) receptors on a poly[2,5-thiophenediyl-1,2-ethynediyl-1,4-phenylenediyl-1,2-ethynediyl] (PPETE) backbone, showed significant quenching when copper(II) was added. Tmeda-PPETE polymer preloaded with copper(II) was found to be a fluorescent "turn-on" sensor for iron cations. Additional investigation of this metallopolymer revealed a selective sensory system toward carbonate and phosphorus anions through a competitive binding of copper(II) between the polymer tmeda-PPETE and the anions. Fluorescent turn-on response under systematically varied pH was affected by the equilibrium shift of the ionization of polyprotic ions. A sterically hindered pentiptycene group was introduced to the PPETE polymer backbone aiming to reduce aggregation and self-quenching in the solid state. A new FCP, tmeda-PPpETE (poly[(pentiptycene ethynylene)-alt-(thienylene ethynylene)] with tmeda receptors, has been designed and synthesized via Sonogashira cross-coupling reaction. Absorption and emission spectra of tmeda-PPpETE showed blue shifting from tmeda-PPETE, suggesting increased rigidity of polymer backbone. Tmeda-PPpETE showed a high selectivity towards copper(II) with improved sensitivity compared to tmeda-PPETE. The fluorescent quenching response is over 120-fold at emission maximum, and the detection limit is 1.04 ppb, significantly lower than the EPA action level of 1.3 ppm for copper(II). A small turn-off fluorescent response of tmeda-PPpETE was also observed upon addition of iron cations. To further investigate the interaction between pentiptycene containing polymers and iron cations, tmpda-PPpETE containing N,N,N'-trimethylpropylenediamino (tmpda) receptors was designed and synthesized. The absorption and emission spectra for tmpda-PPpETE were analogous to those of tmeda-PPpETE, with a higher quantum

  8. Effective spectral densities for system-environment dynamics at conical intersections: S{sub 2}-S{sub 1} conical intersection in pyrazine

    Martinazzo, Rocco [Department of Physical Chemistry and Electrochemistry, University of Milan, Via Golgi 19, 20122 Milan (Italy); Hughes, Keith H. [School of Chemistry, Bangor University, Bangor, Gwynedd LL57 2UW (United Kingdom); Martelli, Fausto [Department of Physical Chemistry and Electrochemistry, University of Milan, Via Golgi 19, 20122 Milan (Italy); Departement de Chimie, Ecole Normale Superieure, 24 rue Lhomond, F-75231 Paris cedex 05 (France); Burghardt, Irene, E-mail: irene.burghardt@ens.fr [Departement de Chimie, Ecole Normale Superieure, 24 rue Lhomond, F-75231 Paris cedex 05 (France)

    2010-11-25

    Graphical abstract: The effect of high-dimensional environments on conical intersections can be described by hierarchies of approximate spectral densities, which translate to truncated effective-mode chains in the time domain. Abstract: A recently developed effective-mode representation is employed to characterize the influence of a multi-dimensional environment on the S{sub 2}-S{sub 1} conical intersection in pyrazine, taken as a paradigm case of high-dimensional dynamics at a conical intersection. We consider a simplified model by which four modes are strongly coupled to the electronic subsystem while a number of weakly coupled tuning modes, inducing energy gap fluctuations, are sampled from a spectral density. The latter is approximated by a series of simplified spectral densities which can be cast into a continued-fraction form, as previously demonstrated in Hughes et al. (K.H. Hughes, C.D. Christ, I. Burghardt, J. Chem. Phys. 131 (2009) 124108). In the time domain, the hierarchy of spectral densities translates to truncated effective-mode chains with a Markovian or quasi-Markovian (Rubin type) closure. A sequential deconvolution procedure is employed to generate this chain representation. The implications for the ultrafast dynamics and its representation in terms of reduced-dimensional models are discussed.

  9. Flow-through lipid nanotube arrays for structure-function studies of membrane proteins by solid-state NMR spectroscopy.

    Chekmenev, Eduard Y; Gor'kov, Peter L; Cross, Timothy A; Alaouie, Ali M; Smirnov, Alex I

    2006-10-15

    A novel method for studying membrane proteins in a native lipid bilayer environment by solid-state NMR spectroscopy is described and tested. Anodic aluminum oxide (AAO) substrates with flow-through 175 nm wide and 60-mum-long nanopores were employed to form macroscopically aligned peptide-containing lipid bilayers that are fluid and highly hydrated. We demonstrate that the surfaces of both leaflets of such bilayers are fully accessible to aqueous solutes. Thus, high hydration levels as well as pH and desirable ion and/or drug concentrations could be easily maintained and modified as desired in a series of experiments with the same sample. The method allows for membrane protein NMR experiments in a broad pH range that could be extended to as low as 1 and as high as 12 units for a period of up to a few hours and temperatures as high as 70 degrees C without losing the lipid alignment or bilayers from the nanopores. We demonstrate the utility of this method by a solid-state 19.6 T (17)O NMR study of reversible binding effects of mono- and divalent ions on the chemical shift properties of the Leu(10) carbonyl oxygen of transmembrane pore-forming peptide gramicidin A (gA). We further compare the (17)O shifts induced by binding metal ions to the binding of protons in the pH range from 1 to 12 and find a significant difference. This unexpected result points to a difference in mechanisms for ion and proton conduction by the gA pore. We believe that a large number of solid-state NMR-based studies, including structure-function, drug screening, proton exchange, pH, and other titration experiments, will benefit significantly from the method described here.

  10. Problems on one-dimensionally disordered lattices, and reliability of structural analysis of liquids and amorphous solids

    Kakinoki, J.

    1974-01-01

    Methods for obtaining the intensity of X-ray diffraction by one-dimensional by disordered lattices have been studied, and matrix method was developed. The method has been applied for structural analysis. Several problems concerning neutron diffraction were shown in the course of analysis. Large single crystals should be used for measurement. It is hard to grasp the local variation of structure. The technique of topography is still in development. Measurement of weak intensity diffraction is not sufficient. Technique of photography to observe overall feature is not good. General remarks concerning the one-dimensionally disordered lattices are as follows. A large number of parameters for analysis are not practical, and the disorder parameters are preferably two. In case of the disorder between two kinds of layers having same frequency and different structure, peak shift is not caused, and Laue term remains at the position. Reliability of the structural analysis of liquid and amorphous solid is discussed. The analysis is basically the analysis two atom molecule of same kind of atoms. The intensity of diffraction can be obtained from radial distribution function (RDF). Since practical observation is limited to a finite region, termination effect should be taken into consideration. Accuracy of analysis is not good in case of X-ray diffraction. The analysis by neutron diffraction is preferable. (Kato, T.)

  11. Myristoylation as a general method for immobilization and alignment of soluble proteins for solid-state NMR structural studies

    Mesleh, M.F.; Valentine, K.G.; Opella, S.J.; Louis, J.M.; Gronenborn, A.M.

    2003-01-01

    N-terminal myristoylation of the immunoglobulin-binding domain of protein G (GB1) from group G Streptococcus provides the means to bind the protein to aligned phospholipid bilayers for solid-state NMR structural studies. The myristoylated protein is immobilized by its interactions with bilayers, and the sample alignment enables orientationally dependent 15 N chemical shifts and 1 H- 15 N-dipolar couplings to be measured. Spectra calculated for the average solution NMR structure of the protein at various orientations with respect to the magnetic field direction were compared to the experimental spectrum. The best fit identified the orientation of the myristoylated protein on the lipid bilayers, and demonstrated that the protein adopts a similar structure in both its myristoylated and non-myristoylated forms, and that the structure is not grossly distorted by its interaction with the phosholipid bilayer surface or by its location in the restricted aqueous space between bilayer leaflets. The protein is oriented such that its charged sides face the phosphatidylcholine headgroups of the lipids with the single amphiphilic helix running parallel to the bilayer surface

  12. Theoretical solid state physics

    Haug, Albert

    2013-01-01

    Theoretical Solid State Physics, Volume 1 focuses on the study of solid state physics. The volume first takes a look at the basic concepts and structures of solid state physics, including potential energies of solids, concept and classification of solids, and crystal structure. The book then explains single-electron approximation wherein the methods for calculating energy bands; electron in the field of crystal atoms; laws of motion of the electrons in solids; and electron statistics are discussed. The text describes general forms of solutions and relationships, including collective electron i

  13. Polar conic current sheets as sources and channels of energetic particles in the high-latitude heliosphere

    Khabarova, Olga; Malova, Helmi; Kislov, Roman; Zelenyi, Lev; Obridko, Vladimir; Kharshiladze, Alexander; Tokumaru, Munetoshi; Sokół, Justyna; Grzedzielski, Stan; Fujiki, Ken'ichi; Malandraki, Olga

    2017-04-01

    The existence of a large-scale magnetically separated conic region inside the polar coronal hole has been predicted by the Fisk-Parker hybrid heliospheric magnetic field model in the modification of Burger and co-workers (Burger et al., ApJ, 2008). Recently, long-lived conic (or cylindrical) current sheets (CCSs) have been found from Ulysses observations at high heliolatitudes (Khabarova et al., ApJ, 2017). The characteristic scale of these structures is several times lesser than the typical width of coronal holes, and the CCSs can be observed at 2-3 AU for several months. CCS crossings in 1994 and 2007 are characterized by sharp decreases in the solar wind speed and plasma beta typical for predicted profiles of CCSs. In 2007, a CCS was detected directly over the South Pole and strongly highlighted by the interaction with comet McNaught. The finding is confirmed by restorations of solar coronal magnetic field lines that reveal the occurrence of conic-like magnetic separators over the solar poles both in 1994 and 2007. Interplanetary scintillation data analysis also confirms the existence of long-lived low-speed regions surrounded by the typical polar high-speed solar wind in solar minima. The occurrence of long-lived CCSs in the high-latitude solar wind could shed light on how energetic particles reach high latitudes. Energetic particle enhancements up to tens MeV were observed by Ulysses at edges of CCSs both in 1994 and 2007. In 1994 this effect was clearer, probably due to technical reasons. Accelerated particles could be produced either by magnetic reconnection at the edges of a CCS in the solar corona or in the solar wind. We discuss the role of high-latitude CCSs in propagation of energetic particles in the heliosphere and revisit previous studies of energetic particle enhancements at high heliolatitudes. We also suggest that the existence of a CCS can modify the distribution of the solar wind as a function of heliolatitude and consequently impact ionization

  14. Microscopic distribution functions, structure, and kinetic energy of liquid and solid neon: Quantum Monte Carlo simulations

    Neumann, Martin; Zoppi, Marco

    2002-01-01

    We have performed extensive path integral Monte Carlo simulations of liquid and solid neon, in order to derive the kinetic energy as well as the single-particle and pair distribution functions of neon atoms in the condensed phases. From the single-particle distribution function n(r) one can derive the momentum distribution and thus obtain an independent estimate of the kinetic energy. The simulations have been carried out using mostly the semiempirical HFD-C2 pair potential by Aziz et al. [R. A. Aziz, W. J. Meath, and A. R. Allnatt, Chem. Phys. 79, 295 (1983)], but, in a few cases, we have also used the Lennard-Jones potential. The differences between the potentials, as measured by the properties investigated, are not very large, especially when compared with the actual precision of the experimental data. The simulation results have been compared with all the experimental information that is available from neutron scattering. The overall agreement with the experiments is very good

  15. A quasi-Bohmian approach for a homogeneous spherical solid body based on its geometric structure

    Koupaei, Jalaledin Yousefi; Golshani, Mehdi

    2013-01-01

    In this paper we express the space of rotation as a Riemannian space and try to generalize the classical equations of motion of a homogeneous spherical solid body in the domain of quantum mechanics. This is done within Bohm's view of quantum mechanics, but we do not use the Schrödinger equation. Instead, we assume that in addition to the classical potential there is an extra potential and try to obtain it. In doing this, we start from a classical picture based on Hamilton-Jacobi formalism and statistical mechanics but we use an interpretation which is different from the classical one. Then, we introduce a proper action and extremize it. This procedure gives us a mathematical identity for the extra potential that limits its form. The classical mechanics is a trivial solution of this method. In the simplest cases where the extra potential is not a constant, a mathematical identity determines it uniquely. In fact the first nontrivial potential, apart from some constant coefficients which are determined by experiment, is the usual Bohmian quantum potential

  16. Organic transistors fabricated by contact coating at liquid-solid interface for nano-structures

    Yu-Wen Cheng

    2015-10-01

    Full Text Available A contact coating method is developed to cover the nano-channels with 100 nm or 200 nm diameter and 400 nm depth with a poly(4-vinylphenol (PVP. In such coating the nano-channels faces downwards and its vertical position is controlled by a motor. The surface is first lowered to be in immediate contact with the polyvinylpyrrolidone (PVPY water solution with concentration from 1 to 5 wt%, then pulled at the speed of 0.004 to 0.4 mm/s. By tuning the pulling speed and concentration we can realize conformal, filled, top-only, as well as floating film morphology. For a reproducible liquid detachment from the solid, the sample has a small tilt angle of 3 degree. Contact coating is used to cover the Al grid base of the vertical space-charge-limited transistor with PVPY. Poly(3-hexylthiophene-2,5-diyl (P3HT as the semiconductor. The transistor breakdown voltage is raised due to base coverage achieved by contact coating.

  17. Microbial community structure and diversity in a municipal solid waste landfill.

    Wang, Xiaolin; Cao, Aixin; Zhao, Guozhu; Zhou, Chuanbin; Xu, Rui

    2017-08-01

    Municipal solid waste (MSW) landfills are the most prevalent waste disposal method and constitute one of the largest sources of anthropogenic methane emissions in the world. Microbial activities in disposed waste play a crucial role in greenhouse gas emissions; however, only a few studies have examined metagenomic microbial profiles in landfills. Here, the MiSeq high-throughput sequencing method was applied for the first time to examine microbial diversity of the cover soil and stored waste located at different depths (0-150cm) in a typical MSW landfill in Yangzhou City, East China. The abundance of microorganisms in the cover soil (0-30cm) was the lowest among all samples, whereas that in stored waste decreased from the top to the middle layer (30-90cm) and then increased from the middle to the bottom layer (90-150cm). In total, 14 phyla and 18 genera were found in the landfill. A microbial diversity analysis showed that Firmicutes, Proteobacteria, and Bacteroidetes were the dominant phyla, whereas Halanaerobium, Methylohalobius, Syntrophomonas, Fastidiosipila, and Spirochaeta were the dominant genera. Methylohalobius (methanotrophs) was more abundant in the cover layers of soil than in stored waste, whereas Syntrophomonas and Fastidiosipila, which affect methane production, were more abundant in the middle to bottom layers (90-150cm) in stored waste. A canonical correlation analysis showed that microbial diversity in the landfill was most strongly correlated with the conductivity, organic matter, and moisture content of the stored waste. Copyright © 2017 Elsevier Ltd. All rights reserved.

  18. Non-Steroidal Biphenyl Gelators: Correlation of Xerogel Structure with Solid-State Structure and Circular Dichroism Spectroscopy

    H. Cristina Geiger

    2018-04-01

    Full Text Available Because the factors favoring the formation of well-formed single crystals are dissimilar to those conducive to gel formation, few examples of single-crystal structural characterizations of organogelators are found in the literature. A series of biphenyl methyl and ethyl diester derivatives of varying chain length were synthesized and their gelation abilities explored. X-ray diffraction of single crystals of one of the gelators reveals a columnar extended structure. Based on XRD results for xerogels obtained from the reported organogelators, the members of the series are isostructural and so also adopt a columnar superstructure. Scanning electron microscopy (SEM was used for the investigation of the morphology of the xerogels, which display either platelet-like morphologies or more typical entangled twisted ribbon-like aggregates. The gels exhibit chirality, which depends on the sol-gel transition history, as observed by induced circular dichroism (ICD spectroscopy.

  19. Structural investigation of two carbon nitride solids produced by cathodic arc deposition and nitrogen implantation

    Merchant, A.R.; McCulloch, D.; McKenzie, D.R.; Yin, Y.; Gerstner, E.G. [New South Wales Univ., Kensington, NSW (Australia)

    1996-12-31

    Carbon nitride materials have been the focus of research efforts worldwide. Most materials studied have been amorphous, with only a few groups claiming to have found a crystalline material. In this paper, carbon nitride materials prepared by two different techniques are analysed, and found to be remarkably similar in bonding and structure. The materials appear to have a primarily sp{sup 2} bonded carbon structure with a lower bond length than found in an amorphous carbon. This is explained by nitrogen substituting into `rings` to a saturation level of about one nitrogen per three carbon atoms. No evidence was found for a crystalline structure of formula C{sub 3}N{sub 4}, or any amorphous derivative of it. 16 refs., 1 tab., 5 figs.

  20. Prediction of pressure induced structural phase transitions and internal mode frequency changes in solid N2+

    Etters, R.D.; Kobashi, K.; Chandrasekharan, V.

    1983-01-01

    A rhombohedral distortion of the Pm3n structure is introduced which shows that a low temperature phase transition occurs from P4 2 /mnm into the R3c calcite structure at P approx. = 19.2 kbar with a volume change of 0.125 cm 3 /mole. This transition agrees with recent Raman scattering measurements. Another transition from R3c into R3m is predicted at P approx. = 67.5 kbar, with a volume change of 0.1 cm 3 /mole. The pressure dependence of the intramolecular mode frequencies for the R3c structure is in reasonably good agreement with the two main branches observed experimentally

  1. Structural investigation of two carbon nitride solids produced by cathodic arc deposition and nitrogen implantation

    Merchant, A R; McCulloch, D; McKenzie, D R; Yin, Y; Gerstner, E G [New South Wales Univ., Kensington, NSW (Australia)

    1997-12-31

    Carbon nitride materials have been the focus of research efforts worldwide. Most materials studied have been amorphous, with only a few groups claiming to have found a crystalline material. In this paper, carbon nitride materials prepared by two different techniques are analysed, and found to be remarkably similar in bonding and structure. The materials appear to have a primarily sp{sup 2} bonded carbon structure with a lower bond length than found in an amorphous carbon. This is explained by nitrogen substituting into `rings` to a saturation level of about one nitrogen per three carbon atoms. No evidence was found for a crystalline structure of formula C{sub 3}N{sub 4}, or any amorphous derivative of it. 16 refs., 1 tab., 5 figs.

  2. Structural investigation of two carbon nitride solids produced by cathodic arc deposition and nitrogen implantation

    Merchant, A.R.; McCulloch, D.; McKenzie, D.R.; Yin, Y.; Gerstner, E.G.

    1996-01-01

    Carbon nitride materials have been the focus of research efforts worldwide. Most materials studied have been amorphous, with only a few groups claiming to have found a crystalline material. In this paper, carbon nitride materials prepared by two different techniques are analysed, and found to be remarkably similar in bonding and structure. The materials appear to have a primarily sp 2 bonded carbon structure with a lower bond length than found in an amorphous carbon. This is explained by nitrogen substituting into 'rings' to a saturation level of about one nitrogen per three carbon atoms. No evidence was found for a crystalline structure of formula C 3 N 4 , or any amorphous derivative of it. 16 refs., 1 tab., 5 figs

  3. Solid state {sup 1}H spin-lattice relaxation and isolated-molecule and cluster electronic structure calculations in organic molecular solids: The relationship between structure and methyl group and t-butyl group rotation

    Wang, Xianlong, E-mail: WangXianlong@uestc.edu.cn, E-mail: pbeckman@brynmawr.edu [Key Laboratory for NeuroInformation of Ministry of Education, School of Life Science and Technology, University of Electronic Science and Technology of China, 4 North Jianshe Rd., 2nd Section, Chengdu 610054 (China); Mallory, Frank B. [Department of Chemistry, Bryn Mawr College, 101 North Merion Ave., Bryn Mawr, Pennsylvania 19010-2899 (United States); Mallory, Clelia W. [Department of Chemistry, Bryn Mawr College, 101 North Merion Ave., Bryn Mawr, Pennsylvania 19010-2899 (United States); Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania 19104-6323 (United States); Odhner, Hosanna R.; Beckmann, Peter A., E-mail: WangXianlong@uestc.edu.cn, E-mail: pbeckman@brynmawr.edu [Department of Physics, Bryn Mawr College, 101 North Merion Ave., Bryn Mawr, Pennsylvania 19010-2899 (United States)

    2014-05-21

    We report ab initio density functional theory electronic structure calculations of rotational barriers for t-butyl groups and their constituent methyl groups both in the isolated molecules and in central molecules in clusters built from the X-ray structure in four t-butyl aromatic compounds. The X-ray structures have been reported previously. We also report and interpret the temperature dependence of the solid state {sup 1}H nuclear magnetic resonance spin-lattice relaxation rate at 8.50, 22.5, and 53.0 MHz in one of the four compounds. Such experiments for the other three have been reported previously. We compare the computed barriers for methyl group and t-butyl group rotation in a central target molecule in the cluster with the activation energies determined from fitting the {sup 1}H NMR spin-lattice relaxation data. We formulate a dynamical model for the superposition of t-butyl group rotation and the rotation of the t-butyl group's constituent methyl groups. The four compounds are 2,7-di-t-butylpyrene, 1,4-di-t-butylbenzene, 2,6-di-t-butylnaphthalene, and 3-t-butylchrysene. We comment on the unusual ground state orientation of the t-butyl groups in the crystal of the pyrene and we comment on the unusually high rotational barrier of these t-butyl groups.

  4. Synthesis, solid-state structure, and bonding analysis of a homoleptic beryllium azide

    Naglav, Dominik; Tobey, Briac; Lyhs, Benjamin; Roemer, Beate; Blaeser, Dieter; Woelper, Christoph; Jansen, Georg; Schulz, Stephan

    2017-01-01

    [Ph 4 P] 2 [Be(N 3 ) 4 ] (1) and [PNP] 2 [Be(N 3 ) 4 ] (2; PNP=Ph 3 PNPPh 3 ) were synthesized by reacting Be(N 3 ) 2 with [Ph 4 P]N 3 and [PNP]N 3 . Compound 1 represents the first structurally characterized homoleptic beryllium azide. The electronic structure and bonding situation in the tetraazidoberyllate dianion [Be(N 3 ) 4 ] 2- were investigated by quantum-chemical calculations (NPA, ELF, LOL). (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

  5. Identifying Structural Flow Defects in Disordered Solids Using Machine-Learning Methods

    Cubuk, E. D.; Schoenholz, S. S.; Rieser, J. M.; Malone, B. D.; Rottler, J.; Durian, D. J.; Kaxiras, E.; Liu, A. J.

    2015-03-01

    We use machine-learning methods on local structure to identify flow defects—or particles susceptible to rearrangement—in jammed and glassy systems. We apply this method successfully to two very different systems: a two-dimensional experimental realization of a granular pillar under compression and a Lennard-Jones glass in both two and three dimensions above and below its glass transition temperature. We also identify characteristics of flow defects that differentiate them from the rest of the sample. Our results show it is possible to discern subtle structural features responsible for heterogeneous dynamics observed across a broad range of disordered materials.

  6. Synthesis, Solid-State Structure, and Bonding Analysis of a Homoleptic Beryllium Azide.

    Naglav, Dominik; Tobey, Briac; Lyhs, Benjamin; Römer, Beate; Bläser, Dieter; Wölper, Christoph; Jansen, Georg; Schulz, Stephan

    2017-07-10

    [Ph 4 P] 2 [Be(N 3 ) 4 ] (1) and [PNP] 2 [Be(N 3 ) 4 ] (2; PNP=Ph 3 PNPPh 3 ) were synthesized by reacting Be(N 3 ) 2 with [Ph 4 P]N 3 and [PNP]N 3 . Compound 1 represents the first structurally characterized homoleptic beryllium azide. The electronic structure and bonding situation in the tetraazidoberyllate dianion [Be(N 3 ) 4 ] 2- were investigated by quantum-chemical calculations (NPA, ELF, LOL). © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Perovskite solid solutions La0.75Bi0.25Fe1-xCrxO3: Preparation, structural, and magnetic properties

    Ivanov, S. A.; Beran, Přemysl; Bazuev, G. V.; Tellgren, R.; Sarkar, T.; Nordblad, P.; Mathieu, R.

    2017-01-01

    Roč. 254, OCT (2017), s. 166-177 ISSN 0022-4596 R&D Projects: GA MŠk LM2015056 Institutional support: RVO:61389005 Keywords : ceramics * electronic materials * neutron scattering * X-ray diffraction * crystal structure * magnetic properties Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 2.299, year: 2016

  8. Study of Baffle Boundary and System Parameters on Liquid-Solid Coupling Vibration of Rectangular Liquid-Storage Structure

    Wei Jing

    2016-01-01

    Full Text Available In order to study the vibration problem of liquid-solid coupling of rectangular liquid-storage structure with horizontal elastic baffle, ignoring the influence of surface gravity wave, two different velocity potential functions corresponding to the liquid above and below the elastic baffle are assumed; based on the theory of mathematical equation and energy method, the formulas of basic frequency of liquid-solid coupling vibration system are derived, the baffle joined to the tank wall with 3 kinds of boundary conditions, namely, four edges simply supported, two opposite edges clamped and two opposite edges simply supported, and four edges clamped; the influence rules of baffle length-width ratio, the ratio of baffle height to liquid level, baffle elastic modulus, baffle density, baffle thickness, and liquid density on the coupling vibration performance are studied. The results show that the frequency of the clamped boundary is minimum; the influences of baffle length-width ratio and relative height on the basic frequency are much greater than that of the other system parameters; the relation between baffle length-width ratio and the frequency is exponential, while baffle relative height has a parabola relation with the frequency; the larger the baffle length-width ratio, the closer the baffle to the liquid level; the coupling frequency will be reduced more obviously.

  9. Structure of solid monolayers and multilayers of n-hexane on graphite

    Unknown

    We present all-atom molecular dynamics simulations of n-hexane on the ... cluster of n-hexane molecules on graphite, using the all-atom interaction model. ... We do not include such molecules in our analyses of the structure factor and other.

  10. Testing of the structure of macromolecular polymer films containing solid active pharmaceutical ingredient (API) particles

    Boelcskei, E. [Department of Pharmaceutical Technology, University of Szeged, H-6720 Szeged, Eoetvoes u. 6 (Hungary); Suevegh, K. [Laboratory of Nuclear Chemistry, Eoetvoes Lorand University, H-1518 Budapest 112, P.O. Box 32 (Hungary); Marek, T. [Hungarian Academy of Sciences, Research Group for Nuclear Techniques in Structural Chemistry, Eoetvoes Lorand University, H-1518 Budapest 112, P.O. Box 32 (Hungary); Regdon, G. [Department of Pharmaceutical Technology, University of Szeged, H-6720 Szeged, Eoetvoes u. 6 (Hungary); Pintye-Hodi, K., E-mail: klara.hodi@pharm.u-szeged.h [Department of Pharmaceutical Technology, University of Szeged, H-6720 Szeged, Eoetvoes u. 6 (Hungary)

    2011-07-15

    The aim of the present study was to investigate the structure of free films of Eudragit{sup L} 30D-55 containing different concentrations (0%, 1% or 5%) of diclofenac sodium by positron annihilation spectroscopy. The data revealed that the size of the free-volume holes and the lifetimes of ortho-positronium atoms decreased with increase of the API concentration. Films containing 5% of the API exhibited a different behavior during storage (17 {sup o}C, 65% relative humidity (RH)) in consequence of the uptake of water from the air. -- Highlights: {yields} The aim of the present study was to investigate the structure of free films of Eudragit{sup L} 30D-55 containing different concentrations (0%, 1% or 5%) of diclofenac sodium by positron annihilation spectroscopy. {yields} The data revealed that the size of the free-volume holes and the lifetimes of ortho-positronium atoms decreased with increase of the API concentration (). {yields} The API distorts the original polymer structure, but as time goes by, the metastable structure relaxes and it is almost totally restored after 3 weeks of storage (17 {sup o}C, 65% RH).

  11. Molecular structure and Equilibrium forces of bovine submaxillary mucin adsorbed at a solid-liquid interface

    Zappone, Bruno; Patil, Navinkumar J.; Madsen, Jan Busk

    2015-01-01

    prepared by additional chromatographic purification of commercially available products. The mucin molecule was found to have a z-average hydrodynamic diameter of ca. 35 nm in phosphate buffered solution, without any particular secondary or tertiary structure. The contour length of the mucin is larger than...

  12. Testing of the structure of macromolecular polymer films containing solid active pharmaceutical ingredient (API) particles

    Boelcskei, E.; Suevegh, K.; Marek, T.; Regdon, G.; Pintye-Hodi, K.

    2011-01-01

    The aim of the present study was to investigate the structure of free films of Eudragit L 30D-55 containing different concentrations (0%, 1% or 5%) of diclofenac sodium by positron annihilation spectroscopy. The data revealed that the size of the free-volume holes and the lifetimes of ortho-positronium atoms decreased with increase of the API concentration. Films containing 5% of the API exhibited a different behavior during storage (17 o C, 65% relative humidity (RH)) in consequence of the uptake of water from the air. -- Highlights: → The aim of the present study was to investigate the structure of free films of Eudragit L 30D-55 containing different concentrations (0%, 1% or 5%) of diclofenac sodium by positron annihilation spectroscopy. → The data revealed that the size of the free-volume holes and the lifetimes of ortho-positronium atoms decreased with increase of the API concentration (). → The API distorts the original polymer structure, but as time goes by, the metastable structure relaxes and it is almost totally restored after 3 weeks of storage (17 o C, 65% RH).

  13. Electron-density critical points analysis and catastrophe theory to forecast structure instability in periodic solids.

    Merli, Marcello; Pavese, Alessandro

    2018-03-01

    The critical points analysis of electron density, i.e. ρ(x), from ab initio calculations is used in combination with the catastrophe theory to show a correlation between ρ(x) topology and the appearance of instability that may lead to transformations of crystal structures, as a function of pressure/temperature. In particular, this study focuses on the evolution of coalescing non-degenerate critical points, i.e. such that ∇ρ(x c ) = 0 and λ 1 , λ 2 , λ 3 ≠ 0 [λ being the eigenvalues of the Hessian of ρ(x) at x c ], towards degenerate critical points, i.e. ∇ρ(x c ) = 0 and at least one λ equal to zero. The catastrophe theory formalism provides a mathematical tool to model ρ(x) in the neighbourhood of x c and allows one to rationalize the occurrence of instability in terms of electron-density topology and Gibbs energy. The phase/state transitions that TiO 2 (rutile structure), MgO (periclase structure) and Al 2 O 3 (corundum structure) undergo because of pressure and/or temperature are here discussed. An agreement of 3-5% is observed between the theoretical model and experimental pressure/temperature of transformation.

  14. The influence of the preparation conditions on structure and optical properties of solid films of graphene oxide

    Seliverstova, E; Ibrayev, N; Dzhanabekova, R; Gladkova, V

    2016-01-01

    In this study, we investigated the physico-chemical properties of graphene oxide monolayers at the interface water-air. Monolayers were formed by the spreading of dispersion of graphene oxide in acetone and THF. It was found than graphene monolayers are in the “liquid” state on the surface of subphase. Monolayers were transferred onto solid substrates according to Langmuir-Blodgett (LB) method. SEM images show that the films have an island structure. The films obtained from acetone solutions are more uniform, which makes them more promising in terms of their use as conductive coatings. Absorption spectrum of graphene LB films exhibits a broad band in the ultraviolet and visible region of the spectrum. The optical density of the film obtained from acetone solution is greater than the optical density of the film prepared from THF. In the visible region of the spectrum both films have high transparency. (paper)

  15. Effectiveness of paper-structured catalyst for the operation of biodiesel-fueled solid oxide fuel cell

    Quang-Tuyen, Tran; Kaida, Taku; Sakamoto, Mio; Sasaki, Kazunari; Shiratori, Yusuke

    2015-06-01

    Mg/Al-hydrotalcite (HDT)-dispersed paper-structured catalyst (PSC) was prepared by a simple paper-making process. The PSC exhibited excellent catalytic activity for the steam reforming of model biodiesel fuel (BDF), pure oleic acid methyl ester (oleic-FAME, C19H36O2) which is a mono-unsaturated component of practical BDFs. The PSC exhibited fuel conversion comparable to a pelletized catalyst material, here, conventional Ni-zirconia cermet anode for solid oxide fuel cell (SOFC) with less than one-hundredth Ni weight. Performance of electrolyte-supported cell connected with the PSC was evaluated in the feed of oleic-FAME, and stable operation was achieved. After 60 h test, coking was not observed in both SOFC anode and PSC.

  16. Structural and electronic properties of InN nanowire network grown by vapor-liquid-solid method

    B. K. Barick

    2015-05-01

    Full Text Available Growth of InN nanowires have been carried out on quartz substrates at different temperatures by vapor-liquid-solid (VLS technique using different thicknesses of Au catalyst layer. It has been found that a narrow window of Au layer thickness and growth temperature leads to multi-nucleation, in which each site acts as the origin of several nanowires. In this multi-nucleation regime, several tens of micrometer long wires with diameter as small as 20 nm are found to grow along [ 11 2 ̄ 0 ] direction (a-plane to form a dense network. Structural and electronic properties of these wires are studied. As grown nanowires show degenerate n-type behavior. Furthermore, x-ray photoemission study reveals an accumulation of electrons on the surface of these nanowires. Interestingly, the wire network shows persistence of photoconductivity for several hours after switching off the photoexcitation.

  17. Structural and electronic properties of InN nanowire network grown by vapor-liquid-solid method

    Barick, B. K.; Rodríguez-Fernández, Carlos; Cantarero, Andres; Dhar, S.

    2015-05-01

    Growth of InN nanowires have been carried out on quartz substrates at different temperatures by vapor-liquid-solid (VLS) technique using different thicknesses of Au catalyst layer. It has been found that a narrow window of Au layer thickness and growth temperature leads to multi-nucleation, in which each site acts as the origin of several nanowires. In this multi-nucleation regime, several tens of micrometer long wires with diameter as small as 20 nm are found to grow along [ 11 2 ¯ 0 ] direction (a-plane) to form a dense network. Structural and electronic properties of these wires are studied. As grown nanowires show degenerate n-type behavior. Furthermore, x-ray photoemission study reveals an accumulation of electrons on the surface of these nanowires. Interestingly, the wire network shows persistence of photoconductivity for several hours after switching off the photoexcitation.

  18. Determination of the Solid Electrolyte Interphase Structure Grown on a Silicon Electrode Using a Fluoroethylene Carbonate Additive

    Veith, Gabriel M. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science & Technology Division; Doucet, Mathieu [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Neutron Data Analysis and Visualization Division; Sacci, Robert L. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science & Technology Division; Vacaliuc, Bogdan [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Research Accelerator Division; Baldwin, J. Kevin [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Browning, James F. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Chemical and Engineering Materials Division

    2017-07-24

    In this work we explore how an electrolyte additive (fluorinated ethylene carbonate – FEC) mediates the thickness and composition of the solid electrolyte interphase formed over a silicon anode in situ as a function of state-of-charge and cycle. We show the FEC condenses on the surface at open circuit voltage then is reduced to C-O containing polymeric species around 0.9 V (vs. Li/Li+). The resulting film is about 50 Å thick. Upon lithiation the SEI thickens to 70 Å and becomes more organic-like. With delithiation the SEI thins by 13 Å and becomes more inorganic in nature, consistent with the formation of LiF. This thickening/thinning is reversible with cycling and shows the SEI is a dynamic structure. We compare the SEI chemistry and thickness to 280 Å thick SEI layers produced without FEC and provide a mechanism for SEI formation using FEC additives.

  19. Structural design of an in-line bolted joint for the space shuttle solid rocket motor case segments

    Dorsey, John T.; Stein, Peter A.; Bush, Harold G.

    1987-01-01

    Results of a structural design study of an in-line bolted joint concept which can be used to assemble Space Shuttle Solid Rocket Motor (SRM) case segments are presented. Numerous parametric studies are performed to characterize the in-line bolted joint behavior as major design variables are altered, with the primary objective always being to keep the inside of the joint (where the O-rings are located) closed during the SRM firing. The resulting design has 180 1-inch studs, an eccentricity of -0.5 inch, a flange thickness of 3/4 inch, a bearing plate thickness of 1/4 inch, and the studs are subjected to a preload which is 70% of ultimate. The mass penalty per case segment joint for the in-line design is 346 lbm more than the weight penalty for the proposed capture tang fix.

  20. Numerical evaluation of micro-structural parameters of porous supports in metal-supported solid oxide fuel cells

    Reiss, Georg; Frandsen, Henrik Lund; Brandstätter, Wilhelm

    2014-01-01

    Metallic supported Solid Oxide Fuel Cells (SOFCs) are considered as a durable and cost effective alternative to the state-of-the-art ceramic supported cell designs. In order to understand the mass and charge transport in the metal-support of this new type of cell a novel technique involving X......-ray tomography and micro-structural modelling is presented in this work. The simulation technique comprises a novel treatment of the boundary conditions, which leads to more accurate effective transport parameters compared to those, which can be achieved with the conventional homogenisation procedures....... Furthermore, the porosity distribution in the metal-support was determined, which provided information about the inhomogeneous nature of the material. In addition to that, transport parameters for two identified, different dense layers of the metal-support are evaluated separately. The results...

  1. Structural and electronic properties of InN nanowire network grown by vapor-liquid-solid method

    Barick, B. K., E-mail: bkbarick@gmail.com, E-mail: subho-dh@yahoo.co.in; Dhar, S., E-mail: bkbarick@gmail.com, E-mail: subho-dh@yahoo.co.in [Department of Physics, Indian Institute of Technology, Bombay, Mumbai-400076 (India); Rodríguez-Fernández, Carlos; Cantarero, Andres [Materials Science Institute, University of Valencia, PO Box 22085, 46071 Valencia (Spain)

    2015-05-15

    Growth of InN nanowires have been carried out on quartz substrates at different temperatures by vapor-liquid-solid (VLS) technique using different thicknesses of Au catalyst layer. It has been found that a narrow window of Au layer thickness and growth temperature leads to multi-nucleation, in which each site acts as the origin of several nanowires. In this multi-nucleation regime, several tens of micrometer long wires with diameter as small as 20 nm are found to grow along [112{sup -}0] direction (a-plane) to form a dense network. Structural and electronic properties of these wires are studied. As grown nanowires show degenerate n-type behavior. Furthermore, x-ray photoemission study reveals an accumulation of electrons on the surface of these nanowires. Interestingly, the wire network shows persistence of photoconductivity for several hours after switching off the photoexcitation.

  2. High Thermal Rectifications Using Liquid Crystals Confined into a Conical Frustum

    Silva, José Guilherme; Fumeron, Sébastien; Moraes, Fernando; Pereira, Erms

    2018-05-01

    In recent years, phononics, that studies thermal analogs of electronic devices, has become an important subject due to the need for better use of energy resources influenced by growing demand. On developing of these analogs, for example, thermal diodes, a successful route is the design of nanostructured materials (e.g., carbon nanotubes). However, these materials entail increased costs due to the use of complex techniques/equipments, while alternative cheaper materials present nearly comparable efficiency. In this work, we investigate how a thermal diode made by an alternative material (nematic liquid crystal), confined in a conical frustum capillary, can be optimized to achieve high rectifications. In such capillary tube, the thermotropic nematic liquid crystal 5CB produces an axially anisotropic defect called escaped radial disclination. With the molecular director field of such structure, we obtain the thermal conductivity tensor of the diode and solve the steady-state regime of Laplace and Fourier equations using the finite element method. We observed the anisotropy of the system with the non-linear temperature dependences of the molecular thermal conductivities that rectify the heat flux at rates up to 1266% at room temperature. Studying the sensitivity of the system with respect to shape and molecular and thermal aspects, we found that the improved thermal diode is suitable to be miniaturized and applied on well-determined areas, and it is robust against variations of the inward pumped heat flux. This work contributes to the usage of liquid crystals in non-display devices, having potential applications on controlling the heat flux through surfaces.

  3. Highly stabilized partially premixed flames of propane in a concentric flow conical nozzle burner with coflow

    Elbaz, Ayman M.

    2018-01-11

    Partially premixed turbulent flames with non-homogeneous jet of propane were generated in a concentric flow conical nozzle burner in order to investigate the effect of the coflow on the stability and flame structure. The flame stability is first mapped and then high-speed stereoscopic particle image velocimetry, SPIV, plus OH planar laser-induced fluorescence, OH-PLIF, measurements were conducted on a subset of four flames. The jet equivalence ratio Φ = 2, Jet exit Reynolds number Re = 10,000, and degree of premixing are kept constant for the selected flames, while the coflow velocity, Uc, is progressively changed from 0 to 15 m/s. The results showed that the flame is stable between two extinction limits of mixture inhomogeneity, and the optimum stability is obtained at certain degree of mixture inhomogeneity. Increasing Φ, increases the span between these two extinction limits, while these limits converge to a single point (corresponding to optimum mixture inhomogeneity) with increasing Re. Regardless the value of Φ, increasing the coflow velocity improves the flame stability. The correlation between recessed distance of the burner tubes and the fluctuation of the mixture fraction, Δξ, shows that at Δξ around 40% of the flammability limits leads to optimum flame stability. The time averaged SPIV results show that the coflow induces a big annular recirculation zone surrounds the jet flames. The size and the location of this zone is seen to be sensitive to Uc. However, the instantaneous images show the existence of a small vortical structure close to the shear layer, where the flame resides there in the case of no-coflow. These small vertical structures are seen playing a vital role in the flame structure, and increasing the flame corrugation close to the nozzle exit. Increasing the coflow velocity expands the central jet at the expense of the jet velocity, and drags the flame in the early flame regions towards the recirculation zone, where the flame tracks

  4. Results of high heat flux tests and structural analysis of the new solid tungsten divertor tile for ASDEX Upgrade

    Jaksic, Nikola, E-mail: nikola.jaksic@ipp.mpg.de; Greuner, Henri; Herrmann, Albrecht; Böswirth, Bernd; Vorbrugg, Stefan

    2015-10-15

    Highlights: • The main motivation for the HHF investigation of tungsten tiles was an untypical deformation of some specimens under thermal loading, observed during the previous tests in GLADIS test facility. • A nonlinear finite element (FE) model for simulations of the GLADIS tests has been built. • The unexpected plastic deformations are mainly caused by internal stresses due to the manufacturing process. The small discrepancies among the FEA investigated and measured plastic deformations are most likely caused, beside of the practical difficulties by measuring of low items, also by tile internal stresses. • The influences of the residual stresses caused by special production processes have to be taken into account by design of the structural part made of solid tungsten. - Abstract: Tungsten as plasma-facing material for fusion devices is currently the most favorable candidate. In general solid tungsten is used for shielding the plasma chamber interior against the high heat generated from the plasma. For the purposes of implementation at ASDEX Upgrade and as a contribution to ITER the thermal performance of tungsten tiles has been extensively tested in the high heat flux test facility GLADIS during the development phase and beyond. These tests have been performed on full scale tungsten tile prototypes including their clamping and cooling structure. Simulating the adiabatically thermal loading due to plasma operation in ASDEX Upgrade, the tungsten tiles have been subjected to a thermal load with central heat flux of 10–24 MW/m{sup 2} and absorbed energy between 370 and 680 kJ. This loading results in maximum surface temperatures between 1300 °C and 2800 °C. The tests in GLADIS have been accompanied by intensive numerical investigations using FEA methods. For this purpose a multiple nonlinear finite element model has been set up. This paper discusses the main results of the high heat flux final tests and their numerical simulation. Moreover, first

  5. Structural characterization of supramolecular assemblies by {sup 13}C spin dilution and 3D solid-state NMR

    Habenstein, Birgit; Loquet, Antoine; Giller, Karin; Becker, Stefan; Lange, Adam, E-mail: adla@nmr.mpibpc.mpg.de [Max Planck Institute for Biophysical Chemistry, Department of NMR-based Structural Biology (Germany)

    2013-01-15

    {sup 13}C spin diluted protein samples can be produced using [1-{sup 13}C] and [2-{sup 13}C]-glucose (Glc) carbon sources in the bacterial growth medium. The {sup 13}C spin dilution results in favorable {sup 13}C spectral resolution and polarization transfer behavior. We recently reported the combined use of [1-{sup 13}C]- and [2-{sup 13}C]-Glc labeling to facilitate the structural analysis of insoluble and non-crystalline biological systems by solid-state NMR (ssNMR), including sequential assignment, detection of long-range contacts and structure determination of macromolecular assemblies. In solution NMR the beneficial properties of sparsely labeled samples using [2-{sup 13}C]-glycerol ({sup 13}C labeled C{alpha} sites on a {sup 12}C diluted background) have recently been exploited to provide a bi-directional assignment method (Takeuchi et al. in J Biomol NMR 49(1):17-26, 2011 ). Inspired by this approach and our own recent results using [2-{sup 13}C]-Glc as carbon sources for the simplification of ssNMR spectra, we present a strategy for a bi-directional sequential assignment of solid-state NMR resonances and additionally the detection of long-range contacts using the combination of {sup 13}C spin dilution and 3D NMR spectroscopy. We illustrate our results with the sequential assignment and the collection of distance restraints on an insoluble and non-crystalline supramolecular assembly, the Salmonella typhimurium type III secretion system needle.

  6. Results of high heat flux tests and structural analysis of the new solid tungsten divertor tile for ASDEX Upgrade

    Jaksic, Nikola; Greuner, Henri; Herrmann, Albrecht; Böswirth, Bernd; Vorbrugg, Stefan

    2015-01-01

    Highlights: • The main motivation for the HHF investigation of tungsten tiles was an untypical deformation of some specimens under thermal loading, observed during the previous tests in GLADIS test facility. • A nonlinear finite element (FE) model for simulations of the GLADIS tests has been built. • The unexpected plastic deformations are mainly caused by internal stresses due to the manufacturing process. The small discrepancies among the FEA investigated and measured plastic deformations are most likely caused, beside of the practical difficulties by measuring of low items, also by tile internal stresses. • The influences of the residual stresses caused by special production processes have to be taken into account by design of the structural part made of solid tungsten. - Abstract: Tungsten as plasma-facing material for fusion devices is currently the most favorable candidate. In general solid tungsten is used for shielding the plasma chamber interior against the high heat generated from the plasma. For the purposes of implementation at ASDEX Upgrade and as a contribution to ITER the thermal performance of tungsten tiles has been extensively tested in the high heat flux test facility GLADIS during the development phase and beyond. These tests have been performed on full scale tungsten tile prototypes including their clamping and cooling structure. Simulating the adiabatically thermal loading due to plasma operation in ASDEX Upgrade, the tungsten tiles have been subjected to a thermal load with central heat flux of 10–24 MW/m"2 and absorbed energy between 370 and 680 kJ. This loading results in maximum surface temperatures between 1300 °C and 2800 °C. The tests in GLADIS have been accompanied by intensive numerical investigations using FEA methods. For this purpose a multiple nonlinear finite element model has been set up. This paper discusses the main results of the high heat flux final tests and their numerical simulation. Moreover, first results

  7. Numerical Simulations of Pillar Structured Solid State Thermal Neutron Detector Efficiency and Gamma Discrimination

    Conway, A; Wang, T; Deo, N; Cheung, C; Nikolic, R

    2008-06-24

    This work reports numerical simulations of a novel three-dimensionally integrated, {sup 10}boron ({sup 10}B) and silicon p+, intrinsic, n+ (PIN) diode micropillar array for thermal neutron detection. The inter-digitated device structure has a high probability of interaction between the Si PIN pillars and the charged particles (alpha and {sup 7}Li) created from the neutron - {sup 10}B reaction. In this work, the effect of both the 3-D geometry (including pillar diameter, separation and height) and energy loss mechanisms are investigated via simulations to predict the neutron detection efficiency and gamma discrimination of this structure. The simulation results are demonstrated to compare well with the measurement results. This indicates that upon scaling the pillar height, a high efficiency thermal neutron detector is possible.

  8. Synthesis, solid-state structure, and bonding analysis of a homoleptic beryllium azide

    Naglav, Dominik; Tobey, Briac; Lyhs, Benjamin; Roemer, Beate; Blaeser, Dieter; Woelper, Christoph; Jansen, Georg; Schulz, Stephan [Faculty of Chemistry and Center for Nanointegration Duisburg-Essen (Cenide), Duisburg-Essen Univ., Essen (Germany)

    2017-07-10

    [Ph{sub 4}P]{sub 2}[Be(N{sub 3}){sub 4}] (1) and [PNP]{sub 2}[Be(N{sub 3}){sub 4}] (2; PNP=Ph{sub 3}PNPPh{sub 3}) were synthesized by reacting Be(N{sub 3}){sub 2} with [Ph{sub 4}P]N{sub 3} and [PNP]N{sub 3}. Compound 1 represents the first structurally characterized homoleptic beryllium azide. The electronic structure and bonding situation in the tetraazidoberyllate dianion [Be(N{sub 3}){sub 4}]{sup 2-} were investigated by quantum-chemical calculations (NPA, ELF, LOL). (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

  9. Comparative study of normal and branched alkane monolayer films adsorbed on a solid surface. I. Structure

    Enevoldsen, Ann Dorrit; Hansen, Flemming Yssing; Diama, A.

    2007-01-01

    their backbone and squalane has, in addition, six methyl side groups. Upon adsorption, there are significant differences as well as similarities in the behavior of these molecular films. Both molecules form ordered structures at low temperatures; however, while the melting point of the two-dimensional (2D......The structure of a monolayer film of the branched alkane squalane (C30H62) adsorbed on graphite has been studied by neutron diffraction and molecular dynamics (MD) simulations and compared with a similar study of the n-alkane tetracosane (n-C24H52). Both molecules have 24 carbon atoms along...... temperature. The neutron diffraction data show that the translational order in the squalane monolayer is significantly less than in the tetracosane monolayer. The authors' MD simulations suggest that this is caused by a distortion of the squalane molecules upon adsorption on the graphite surface. When...

  10. Computational Modelling of the Structural Integrity following Mass-Loss in Polymeric Charred Cellular Solids

    J. P. M. Whitty; J. Francis; J. Howe; B. Henderson

    2014-01-01

    A novel computational technique is presented for embedding mass-loss due to burning into the ANSYS finite element modelling code. The approaches employ a range of computational modelling methods in order to provide more complete theoretical treatment of thermoelasticity absent from the literature for over six decades. Techniques are employed to evaluate structural integrity (namely, elastic moduli, Poisson’s ratios, and compressive brittle strength) of honeycomb systems known to approximate t...

  11. Structural characterization of heat treated pitch by solid state /sup 13/C nuclear magnetic resonance spectroscopy

    Sfihi, H.; Tougne, P.; Legrand, A.P.; Couderc, P.; Saint-Romain, J.L.

    1988-12-01

    The objective of this paper is to determine structural parameters (aromaticity factor, fractions of protonated and non-protonated aromatic carbons) of some pitches, and to follow their evolution as a function of the heat treatment duration. For such a determination, /sup 13/C-/sup 1/H cross polarization combined with magic angle spinning and dipolar dephasing (CP/MAS/DD) NMR was used. 15 refs., 4 figs., 1 tab.

  12. Low energy ion scattering (LEIS) and the compositional and structural analysis of solid surfaces

    Berg, J.A. van den; Armour, D.G.

    1981-01-01

    The physics of Low Energy Ion Scattering (LEIS) and its application as a surface analytical technique are reviewed. It is shown that compositional and short-range structural information can be obtained by choosing experimental conditions which optimize the contributions of single and double (or multiple) collisions, respectively. The LEIS technique allows mass analysis in a straightforward way, possesses a high surface selectivity but is unable to provide quantitative information in isolation due to scattering cross-section uncertainties and not easily quantifiable charge exchange effects. Structural information regarding adsorbate positions on single crystal surfaces and the short-range substrate structure (including damaged and reconstructed surfaces) can be obtained by exploiting shadowing and/or multiple scattering phenomena. The progress made in recent years in this area is charted. It is shown that computer simulations often play an important role in this type of study. Effects, such as charge exchange, inelastic energy loss and ion beam surface perturbations, which complicate the use of low energy ion scattering for surface analysis are discussed in detail. The present status of the technique in the different areas of study is indicated. (author)

  13. Solid-state structure of a degradation product frequently observed on historic metal objects.

    Dinnebier, Robert E; Runčevski, Tomče; Fischer, Andrea; Eggert, Gerhard

    2015-03-16

    In the course of the investigation of glass-induced metal corrosion processes, a microcrystalline sodium copper formate hydroxide oxide hydrate, Cu4Na4O(HCOO)8(H2O)4(OH)2, was detected on a series of antique works of art, and its crystal structure was determined ab initio from high-resolution laboratory X-ray powder diffraction data using the method of charge flipping, simulated annealing, and difference-Fourier analysis (P42/n, a = 8.425 109(97) Å, c = 17.479 62(29) Å, V = 1240.747(35) Å(3), Z = 8). In the crystal structure, the metal cations are interconnected in a two-dimensional metal-organic framework via the oxygen atoms of the formate, hydroxide, and oxide anions. Doublets of face-sharing square pyramidal Cu(2+) polyhedra are linked via a single, central oxide oxygen atom to give a paddle-wheel arrangement, while the Na(+) cations are organized in Na2O11 moieties with highly disordered, edge-sharing octahedral coordination. In addition, hydrogen bonding plays an important role in stabilizing the crystal structure.

  14. Growth, structure, and tribological behavior of atomic layer-deposited tungsten disulphide solid lubricant coatings with applications to MEMS

    Scharf, T.W.; Prasad, S.V.; Dugger, M.T.; Kotula, P.G.; Goeke, R.S.; Grubbs, R.K.

    2006-01-01

    This paper describes the synthesis, structure, and tribological behavior of nanocomposite tungsten disulphide (WS 2 ) solid lubricant films grown by atomic layer deposition. A new catalytic route, incorporating a diethyl zinc catalyst, was established to promote the adsorption and growth of WS 2 . The films were grown down to 8 nm in thickness by sequential exposures of WF 6 and H 2 S gases in a viscous flow reactor on Si, SiO 2 , stainless steel, and polycrystalline Si and electroplated Ni microelectromechanical systems structures. Films were studied by cross-sectional transmission electron microscopy (XTEM) with Automated eXpert Spectral Image Analysis (AXSIA) software for X-ray spectral images and X-ray diffraction to determine the coating conformality and crystallinity. The coatings exhibited a hexagonal layered structure with predominant preferentially orientated (0 0 2) basal planes. Regardless of orientation to the substrate surface, these basal planes when sheared imparted low friction with a steady-state friction coefficient as low as 0.008 to 50,000 cycles in a dry nitrogen environment. The formation of smooth transfer films during wear provided low interfacial shear stresses during sliding thus achieving low friction and wear. The XTEM combined with AXSIA of the wear tracks identified this mechanism and the effects of vapor phase reaction by-product etching on insulating and native polycrystalline Si and Ni surfaces

  15. New Insights on the Structure of Electrochemically Deposited Lithium Metal and Its Solid Electrolyte Interphases via Cryogenic TEM

    Wang, Xuefeng; Zhang, Minghao; Alvarado, Judith; Wang, Shen; Sina, Mahsa; Lu, Bingyu; Bouwer, James; Xu, Wu [Energy; Xiao, Jie [Energy; Zhang, Ji-Guang [Energy; Liu, Jun [Energy; Meng, Ying Shirley

    2017-11-02

    Lithium metal has been considered as the “holy grail” anode material for rechargeable batteries though the dendritic growth and low Coulombic efficiency (CE) have crippled its practical use for decades. Its high chemical reactivity and low stability make it difficult to explore the intrinsic chemical and physical properties of the electrochemically deposited lithium (EDLi) and its accompanied solid electrolyte interphase (SEI). To prevent the dendritic growth and enhance the electrochemical reversibility, it is crucial to understand the nano- and meso- structures of EDLi. However, Li metal is very sensitive to beam damage and has low contrast for commonly used characterization techniques such as electron microscopy. Inspired by biological imaging techniques, this work demonstrates the power of cryogenic (cryo)- electron microscopy to reveal the detailed structure of EDLi and the SEI composition at the nano scale while minimizing beam damage during imaging. Surprisingly, the results show that the nucleation dominated EDLi (five minutes at 0.5 mA cm-2) is amorphous while there is some crystalline LiF present in the SEI. The EDLi grown from various electrolytes with different additives exhibits distinctive surface properties. Consequently, these results highlight the importance of the SEI and its relationship with the CE. Our findings not only illustrate the capabilities of cryogenic microscopy for beam (thermal)-sensitive materials, but it yields crucial structural information of the EDLi evolution with and without electrolyte additives.

  16. Thermal Analysis by Structural Characterization as a Method for Assessing Heterogeneity in Complex Solid Pharmaceutical Dosage Forms.

    Alhijjaj, Muqdad; Reading, Mike; Belton, Peter; Qi, Sheng

    2015-11-03

    Characterizing inter- and intrasample heterogeneity of solid and semisolid pharmaceutical products is important both for rational design of dosage forms and subsequent quality control during manufacture; however, most pharmaceutical products are multicomponent formulations that are challenging in this regard. Thermal analysis, in particular differential scanning calorimetry, is commonly used to obtain structural information, such as degree of crystallinity, or identify the presence of a particular polymorph, but the results are an average over the whole sample; it cannot directly provide information about the spatial distribution of phases. This study demonstrates the use of a new thermo-optical technique, thermal analysis by structural characterization (TASC), that can provide spatially resolved information on thermal transitions by applying a novel algorithm to images acquired by hot stage microscopy. We determined that TASC can be a low cost, relatively rapid method of characterizing heterogeneity and other aspects of structure. In the examples studied, it was found that high heating rates enabled screening times of 3-5 min per sample. In addition, this study demonstrated the higher sensitivity of TASC for detecting the metastable form of polyethylene glycol (PEG) compared to conventional differential scanning calorimetry (DSC). This preliminary work suggests that TASC will be a worthwhile additional tool for characterizing a broad range of materials.

  17. Free-breathing pediatric chest MRI: Performance of self-navigated golden-angle ordered conical ultrashort echo time acquisition.

    Zucker, Evan J; Cheng, Joseph Y; Haldipur, Anshul; Carl, Michael; Vasanawala, Shreyas S

    2018-01-01

    To assess the feasibility and performance of conical k-space trajectory free-breathing ultrashort echo time (UTE) chest magnetic resonance imaging (MRI) versus four-dimensional (4D) flow and effects of 50% data subsampling and soft-gated motion correction. Thirty-two consecutive children who underwent both 4D flow and UTE ferumoxytol-enhanced chest MR (mean age: 5.4 years, range: 6 days to 15.7 years) in one 3T exam were recruited. From UTE k-space data, three image sets were reconstructed: 1) one with all data, 2) one using the first 50% of data, and 3) a final set with soft-gating motion correction, leveraging the signal magnitude immediately after each excitation. Two radiologists in blinded fashion independently scored image quality of anatomical landmarks on a 5-point scale. Ratings were compared using Wilcoxon rank-sum, Wilcoxon signed-ranks, and Kruskal-Wallis tests. Interobserver agreement was assessed with the intraclass correlation coefficient (ICC). For fully sampled UTE, mean scores for all structures were ≥4 (good-excellent). Full UTE surpassed 4D flow for lungs and airways (P 93% scans for all techniques (P = 0.27). Interobserver agreement was excellent for combined scores (ICC = 0.83). High-quality free-breathing conical UTE chest MR is feasible, surpassing 4D flow for lungs and airways, with equivalent PA visualization. Data subsampling only mildly degraded images, favoring lesser scan times. Soft-gating motion correction overall did not improve image quality. 2 Technical Efficacy: Stage 2 J. Magn. Reson. Imaging 2018;47:200-209. © 2017 International Society for Magnetic Resonance in Medicine.

  18. U(VI) and Eu(III) ion sorption in the interface solution-phosphate solids: Structural study and mechanisms

    Drot, Romuald

    1998-01-01

    As part of the storage of nuclear wastes in a deep underground disposal, radionuclides sorption on geological or engineered barriers is one of the most important factor which could enhance retardation. Thus, the knowledge of such mechanisms is needed. For this purpose, we chose to experimentally define sorption equilibria before performing simulation of retention data. Several phosphate compounds are potential candidates as engineered barrier additives. We considered Th 4 (PO 4 ) 4 P 2 O 7 , Zr 2 O(PO 4 ) 2 which allow to study the effect of PO 4 and P 2 O 7 groups separately. Eu(III) and U(IV) ions were used as structural probes in order to simulate actinides (III) and (VI) behavior. X-ray powder diffraction, IR spectroscopy and electron probe microanalysis were used to characterized the synthesized solids. Electrophoretic measurements showed an amphoteric behavior of surface sites. Moreover, laser spectro-fluorimetry experiments indicated that no diffusion phenomena of the sorbed ion inside the solid occurs. Thus, we considered that a surface complexation model should be applied. Laser spectro-fluorimetry and XPS allowed to determine the nature of surface sites. ZrP 2 O 7 presents only one single site (P 2 O 7 groups) whereas Th 4 (PO 4 ) 4 P 2 O 7 and Zr 2 O(PO 4 ) 2 admit two types of sites (PO 4 /P 2 O 7 and PO 4 /oxo groups, respectively). Sorbed species were identified using laser spectro-fluorimetry which indicate that, in KNO 3 0.5 M medium and for a known surface site, there are two surface complexes for U(VI) (sorption of UO 2+ 2 et de UO 2 NO + 3 species) and only one for Eu(III) (sorption of EuNO 2+ 3 ). They are linked to the substrate as bidentate inner sphere complexes (EXAFS study). Surface acidity constants were determined by simulation of potentiometric titration curves obtained for each solid suspension using FITEQL code (CCM). As sorption equilibria were defined, experimental retention data simulation was performed with respect to structural

  19. A modified anode/electrolyte structure for a solid oxide electrochemical cell and a method for making said structure

    2013-01-01

    -stabilised zirconium oxide electrolyte and (c) a metallic and/or a ceramic electrocatalyst in the shape of interlayers incorporated in the interface between the anode and the electrolyte. This assembly is first sintered at a given temperature and then at a lower temperature in reducing gas mixtures. These heat...... treatments resulted in a distribution of the metallic and/or ceramic interlayers in the electrolyte/anode backbone junction taking place. The structure is prepared by (a) depositing a ceramic interlayer onto one side of the electrolyte, (b) optionally applying a metallic interlayer thereon, (c) repeating...... steps (a) and (b), (d) applying a layer of the selected anode backbone onto the electrolyte with applied interlayers, (e) sintering the raw assembly and (f) infiltrating the electrocatalyst precursor into the sintered assembly and heat treating the assembly to incorporate additional electrocatalyst...

  20. WebQuest on Conic Sections as a Learning Tool for Prospective Teachers

    Kurtulus, Aytac; Ada, Tuba

    2012-01-01

    WebQuests incorporate technology with educational concepts through integrating online resources with student-centred and activity-based learning. In this study, we describe and evaluate a WebQuest based on conic sections, which we have used with a group of prospective mathematics teachers. The WebQuest entitled: "Creating a Carpet Design Using…