Science.gov

Sample records for cubic spheres transition

  1. Assembly of body-centered cubic crystals in hard spheres.

    PubMed

    Xu, W-S; Sun, Z-Y; An, L-J

    2011-05-01

    We investigate the crystallization of monodisperse hard spheres confined by two square patterned substrates (possessing the basic character of the body-centered cubic (bcc) crystal structure) at varying substrate separations via molecular dynamics simulation. Through slowly increasing the density of the system, we find that crystallization under the influence of square patterned substrates can set in at lower densities compared with the homogeneous crystallization. As the substrate separation decreases, the density, where crystallization occurs (i.e., pressure drops), becomes small. Moreover, two distinct regimes are identified in the plane of bcc particle fraction and density for the separation range investigated. For large substrate separations, the bcc particle fraction displays a local maximum as the density is increased, and the resulting formed crystals have a polycrystalline structure. However, and more importantly, another situation emerges for small substrate separations: the capillary effects (stemming from the presence of two substrates) overwhelm the bulk driving forces (stemming from the spontaneous thermal fluctuations in the bulk) during the densification, eventually resulting in the formation of a defect-free bcc crystal (unstable with respect to the bulk hard-sphere crystals) by using two square patterned substrates.

  2. The quantization of the radii of coordination spheres cubic crystals and cluster systems

    NASA Astrophysics Data System (ADS)

    Melnikov, G.; Emelyanov, S.; Ignatenko, N.; Ignatenko, G.

    2016-02-01

    The article deals with the creation of an algorithm for calculating the radii of coordination spheres and coordination numbers cubic crystal structure and cluster systems in liquids. Solution has important theoretical value since it allows us to calculate the amount of coordination in the interparticle interaction potentials, to predict the processes of growth of the crystal structures and processes of self-organization of particles in the cluster system. One option accounting geometrical and quantum factors is the use of the Fibonacci series to construct a consistent number of focal areas for cubic crystals and cluster formation in the liquid.

  3. Diffusion spectrum MRI using body-centered-cubic and half-sphere sampling schemes.

    PubMed

    Kuo, Li-Wei; Chiang, Wen-Yang; Yeh, Fang-Cheng; Wedeen, Van Jay; Tseng, Wen-Yih Isaac

    2013-01-15

    The optimum sequence parameters of diffusion spectrum MRI (DSI) on clinical scanners were investigated previously. However, the scan time of approximately 30 min is still too long for patient studies. Additionally, relatively large sampling interval in the diffusion-encoding space may cause aliasing artifact in the probability density function when Fourier transform is undertaken, leading to estimation error in fiber orientations. Therefore, this study proposed a non-Cartesian sampling scheme, body-centered-cubic (BCC), to avoid the aliasing artifact as compared to the conventional Cartesian grid sampling scheme (GRID). Furthermore, the accuracy of DSI with the use of half-sphere sampling schemes, i.e. GRID102 and BCC91, was investigated by comparing to their full-sphere sampling schemes, GRID203 and BCC181, respectively. In results, smaller deviation angle and lower angular dispersion were obtained by using the BCC sampling scheme. The half-sphere sampling schemes yielded angular precision and accuracy comparable to the full-sphere sampling schemes. The optimum b(max) was approximately 4750 s/mm(2) for GRID and 4500 s/mm(2) for BCC. In conclusion, the BCC sampling scheme could be implemented as a useful alternative to the GRID sampling scheme. Combination of BCC and half-sphere sampling schemes, that is BCC91, may potentially reduce the scan time of DSI from 30 min to approximately 14 min while maintaining its precision and accuracy.

  4. Kinetic pathways of sphere-to-cylinder transition in diblock copolymer melt under electric field.

    PubMed

    Ly, D Q; Pinna, M; Honda, T; Kawakatsu, T; Zvelindovsky, A V M

    2013-02-21

    Phase transition from body-centered-cubic spheres to cylinders in a diblock copolymer melt under an external electric field is investigated by means of real-space dynamical self-consistent field theory. Different phase transition kinetic pathways and different cylindrical domains arrangements of the final phase are observed depending on the strength and direction of the applied electric field. Various transient states have been identified depending on the electric field being applied along [111], [100], and [110] directions. The electric field should be above a certain threshold value in order the transition to occur. A "dynamic critical exponent" of the transition is found to be about 3/2, consistent with other order-order transitions in diblock copolymers under electric field.

  5. Ytterbium: Transition at High Pressure from Face-Centered Cubic to Body-Centered Cubic Structure.

    PubMed

    Hall, H T; Barnett, J D; Merrill, L

    1963-01-11

    Pressure of 40,000 atmospheres at 25 degrees C induces a phase transformation in ytterbium metal; the face-centered cubic structure changes to body-centered cubic. The radius of the atom changes from 1.82 to 1.75 A. At the same time the atom's volume decreases by 11 percent and the volume, observed macroscopically, decreases 3.2 percent.

  6. Photoluminescence and electronic transitions in cubic silicon nitride.

    PubMed

    Museur, Luc; Zerr, Andreas; Kanaev, Andrei

    2016-01-04

    A spectroscopic study of cubic silicon nitride (γ-Si3N4) at cryogenic temperatures of 8 K in the near IR - VUV range of spectra with synchrotron radiation excitation provided the first experimental evidence of direct electronic transitions in this material. The observed photoluminescence (PL) bands were assigned to excitons and excited and centers formed after the electron capture by neutral structural defects. The excitons are weakly quenched on neutral and strongly on charged defects. The fundamental band-gap energy of 5.05 ± 0.05 eV and strong free exciton binding energy ~0.65 eV were determined. The latter value suggests a high efficiency of the electric power transformation in light in defect-free crystals. Combined with a very high hardness and exceptional thermal stability in air, our results indicate that γ-Si3N4 has a potential for fabrication of robust and efficient photonic emitters.

  7. Photoluminescence and electronic transitions in cubic silicon nitride

    PubMed Central

    Museur, Luc; Zerr, Andreas; Kanaev, Andrei

    2016-01-01

    A spectroscopic study of cubic silicon nitride (γ-Si3N4) at cryogenic temperatures of 8 K in the near IR - VUV range of spectra with synchrotron radiation excitation provided the first experimental evidence of direct electronic transitions in this material. The observed photoluminescence (PL) bands were assigned to excitons and excited and centers formed after the electron capture by neutral structural defects. The excitons are weakly quenched on neutral and strongly on charged defects. The fundamental band-gap energy of 5.05 ± 0.05 eV and strong free exciton binding energy ~0.65 eV were determined. The latter value suggests a high efficiency of the electric power transformation in light in defect-free crystals. Combined with a very high hardness and exceptional thermal stability in air, our results indicate that γ-Si3N4 has a potential for fabrication of robust and efficient photonic emitters. PMID:26725937

  8. Synthesis of nanoporous spheres of cubic gallium oxynitride and their lithium ion intercalation properties

    NASA Astrophysics Data System (ADS)

    Tang, Chengchun; Bando, Yoshio; Huang, Yang; Zhi, Chunyi; Golberg, Dmitri; Xu, Xuewen; Zhao, Jianling; Li, YangXian

    2010-03-01

    Cubic spinel structured gallium oxynitride has been synthesized through the reaction of metallic gallium and water in the presence of organic ethylenediamine. The relative content of the mixed solvent of water and ethylenediamine controls the product morphology and structure. A novel well-defined nanoporous structure has finally been obtained, whose large surface area and peculiar surface chemistry will generate novel physical and chemical properties. As an example, lithium intercalation properties for prospective applications in lithium ion batteries are demonstrated in this work.

  9. Multiple reentrant glass transitions in confined hard-sphere glasses

    NASA Astrophysics Data System (ADS)

    Mandal, Suvendu; Lang, Simon; Gross, Markus; Oettel, Martin; Raabe, Dierk; Franosch, Thomas; Varnik, Fathollah

    2014-07-01

    Glass-forming liquids exhibit a rich phenomenology upon confinement. This is often related to the effects arising from wall-fluid interactions. Here we focus on the interesting limit where the separation of the confining walls becomes of the order of a few particle diameters. For a moderately polydisperse, densely packed hard-sphere fluid confined between two smooth hard walls, we show via event-driven molecular dynamics simulations the emergence of a multiple reentrant glass transition scenario upon a variation of the wall separation. Using thermodynamic relations, this reentrant phenomenon is shown to persist also under constant chemical potential. This allows straightforward experimental investigation and opens the way to a variety of applications in micro- and nanotechnology, where channel dimensions are comparable to the size of the contained particles. The results are in line with theoretical predictions obtained by a combination of density functional theory and the mode-coupling theory of the glass transition.

  10. Squeezing of a periodic emulsion through a cubic lattice of spheres

    NASA Astrophysics Data System (ADS)

    Zinchenko, Alexander Z.; Davis, Robert H.

    2008-04-01

    Squeezing of a periodic, highly concentrated emulsion of deformable drops through a dense, simple cubic array of solid spherical particles at zero Reynolds number is simulated by considering one drop in a periodic cell. The particles are rigidly held in space. The drops with nondeformed diameter comparable with the particle size (and considerably larger than the interparticle constrictions) squeeze under a specified average pressure gradient. This three dimensional problem serves as a useful prototype model of drop-solid interaction for emulsion flow through granular materials. The solution allows us to study permeabilities for both phases in detail and determine the critical conditions when the drop phase flow stops due to blockage in the pores by capillary forces. The algorithm employs a boundary-integral formulation with periodic Green's function, Hebeker representation for solid-particle contributions, and recent desingularization tools [A. Z. Zinchenko and R. H. Davis, J. Fluid Mech. 564, 227 (2006)] to alleviate difficulties with lubrication. Calculations are challenging in that tens of thousands of boundary elements per surface and 10 000-20 000 time steps are required for near-critical squeezing conditions, and the use of multipole acceleration is crucial to make such simulations feasible. The results are presented for 36% and 50% concentrated emulsions flowing through an array of almost packed particles, at drop-to-medium viscosity ratios of 1 and 4. Scaling for the squeezing time of the drop phase at near-criticial capillary numbers is extracted from the calculations. For all the simulated cases, the drops move, on average, faster than the continuous phase.

  11. Mechanism of the body-centered cubic--hexagonal close-packed phase transition in iron.

    PubMed

    Bassett, W A; Huang, E

    1987-11-06

    The transition from body-centered cubic to hexagonal close-packed phase in iron has been studied in a diamond anvil cell with synchrotron radiation. The hexagonal close-packed phase, when it first appears, has a ratio of lattice parameters that is significantly larger than normal. This is attributed to a displacive mechanism that causes a distortion of the hexagonal close-packed structure in a body-centered cubic matrix. The hexagonal close-packed phase adjacent to a boundary with the body-centered cubic phase is stretched in the c direction and compressed in the a direction when it first forms.

  12. Deformation-induced structural transition in body-centred cubic molybdenum.

    PubMed

    Wang, S J; Wang, H; Du, K; Zhang, W; Sui, M L; Mao, S X

    2014-03-07

    Molybdenum is a refractory metal that is stable in a body-centred cubic structure at all temperatures before melting. Plastic deformation via structural transitions has never been reported for pure molybdenum, while transformation coupled with plasticity is well known for many alloys and ceramics. Here we demonstrate a structural transformation accompanied by shear deformation from an original <001>-oriented body-centred cubic structure to a <110>-oriented face-centred cubic lattice, captured at crack tips during the straining of molybdenum inside a transmission electron microscope at room temperature. The face-centred cubic domains then revert into <111>-oriented body-centred cubic domains, equivalent to a lattice rotation of 54.7°, and ~15.4% tensile strain is reached. The face-centred cubic structure appears to be a well-defined metastable state, as evidenced by scanning transmission electron microscopy and nanodiffraction, the Nishiyama-Wassermann and Kurdjumov-Sachs relationships between the face-centred cubic and body-centred cubic structures and molecular dynamics simulations. Our findings reveal a deformation mechanism for elemental metals under high-stress deformation conditions.

  13. Deformation-induced structural transition in body-centred cubic molybdenum

    PubMed Central

    Wang, S. J.; Wang, H.; Du, K.; Zhang, W.; Sui, M. L.; Mao, S. X.

    2014-01-01

    Molybdenum is a refractory metal that is stable in a body-centred cubic structure at all temperatures before melting. Plastic deformation via structural transitions has never been reported for pure molybdenum, while transformation coupled with plasticity is well known for many alloys and ceramics. Here we demonstrate a structural transformation accompanied by shear deformation from an original <001>-oriented body-centred cubic structure to a <110>-oriented face-centred cubic lattice, captured at crack tips during the straining of molybdenum inside a transmission electron microscope at room temperature. The face-centred cubic domains then revert into <111>-oriented body-centred cubic domains, equivalent to a lattice rotation of 54.7°, and ~15.4% tensile strain is reached. The face-centred cubic structure appears to be a well-defined metastable state, as evidenced by scanning transmission electron microscopy and nanodiffraction, the Nishiyama–Wassermann and Kurdjumov–Sachs relationships between the face-centred cubic and body-centred cubic structures and molecular dynamics simulations. Our findings reveal a deformation mechanism for elemental metals under high-stress deformation conditions. PMID:24603655

  14. Jamming transition and inherent structures of hard spheres and disks.

    PubMed

    Ozawa, Misaki; Kuroiwa, Takeshi; Ikeda, Atsushi; Miyazaki, Kunimasa

    2012-11-16

    Recent studies show that volume fractions φ(J) at the jamming transition of frictionless hard spheres and disks are not uniquely determined but exist over a continuous range. Motivated by this observation, we numerically investigate the dependence of φ(J) on the initial configurations of the parent fluid equilibrated at a volume fraction φ(eq), before compressing to generate a jammed packing. We find that φ(J) remains constant when φ(eq) is small but sharply increases as φ(eq) exceeds the dynamic transition point which the mode-coupling theory predicts. We carefully analyze configurational properties of both jammed packings and parent fluids and find that, while all jammed packings remain isostatic, the increase of φ(J) is accompanied with subtle but distinct changes of local orders, a static length scale, and an exponent of the finite-size scaling. These results are consistent with the scenario of the random first-order transition theory of the glass transition.

  15. Large amplitude oscillatory shear of block copolymer spheres on a body-centered cubic lattice: are micelles like metals?

    PubMed

    Torija, Maria A; Choi, Soo-Hyung; Lodge, Timothy P; Bates, Frank S

    2011-05-19

    Small-angle X-ray diffraction experiments have uncovered a remarkable mechanism of grain alignment during plastic deformation of ordered sphere-forming diblock copolymer micelles when subjected to large amplitude dynamic shearing. A nearly monodisperse poly(styrene-b-ethylene-alt-propylene) (SEP) diblock copolymer with block molecular weights of 42,000 and 60,000 was mixed with squalane (C(30)H(62)), an EP selective solvent, at a concentration of 10 wt%. After high temperature annealing, the sample formed an ordered polydomain morphology containing glassy S cores at room temperature. SAXS powder patterns confirm body-centered cubic (BCC) symmetry and reveal the development of a complex array of two-dimensionally resolved Bragg reflections following the application, and cessation, of oscillatory shearing. These diffraction results are interpreted on the basis of the classic mechanism of crystalline slip, which accounts for plastic deformation of ductile materials such as metals. Four distinct slip systems are shown to be active in this work, suggesting a robust basis for deforming and mixing of soft ordered solids.

  16. Phase Transition of a Structure II Cubic Clathrate Hydrate to a Tetragonal Form.

    PubMed

    Takeya, Satoshi; Fujihisa, Hiroshi; Yamawaki, Hiroshi; Gotoh, Yoshito; Ohmura, Ryo; Alavi, Saman; Ripmeester, John A

    2016-08-01

    The crystal structure and phase transition of cubic structure II (sII) binary clathrate hydrates of methane (CH4 ) and propanol are reported from powder X-ray diffraction measurements. The deformation of host water cages at the cubic-tetragonal phase transition of 2-propanol+CH4 hydrate, but not 1-propanol+CH4 hydrate, was observed below about 110 K. It is shown that the deformation of the host water cages of 2-propanol+CH4 hydrate can be explained by the restriction of the motion of 2-propanol within the 5(12) 6(4) host water cages. This result provides a low-temperature structure due to a temperature-induced symmetry-lowering transition of clathrate hydrate. This is the first example of a cubic structure of the common clathrate hydrate families at a fixed composition.

  17. Collapse transition of short polymers on simple cubic lattice

    NASA Astrophysics Data System (ADS)

    Jaleel, Asweel Ahmed A.; Satyanarayana, S. V. M.

    2016-10-01

    Denatured proteins and polymers exhibit two types of conformations in solution. Extended coil conformation and compact globule conformation. There is a phase transition associated with these conformation change as a function of temperature or solvent concentration etc. These phase transition is usually studied using Self Avoiding Walk(SAW). We have generated Self avoiding walk using chain growth algorithm. Here we have compared our generated density of states with Exact enumerated data of the same. Also we have presented the Pseudo order parameter method to identify collapse temperature. The results are compared with Partition function zero analysis.

  18. Pollen Patterning as a Brazovskii Phase Transition on a Sphere

    NASA Astrophysics Data System (ADS)

    Lavrentovich, Maxim; Horsley, Eric; Radja, Asja; Sweeney, Alison; Kamien, Randall

    Pollen grains acquire intricate, varied surface patterns during development. The patterns are reproducible within a single plant species, and yet exhibit a wide variation among species, despite having similar developmental steps. We model this pattern formation on spherical grains as a phase transition to a spatially modulated phase, characterized by an unstable wavelength λ0. On the infinite, flat plane, the patterned phase consists of uniform stripes, as shown by Brazovskii. We find that, by contrast, the patterns may be much more varied on a spherical surface because the topological defects which must be present in the pattern may be accommodated in a variety of ways. This variation may explain the wide range of observed pollen patterns. We also argue that the first-order character of the transition may be responsible for the robust reproducibility of the patterns in a single plant species. Finally, we compute the free energy difference between the unpatterned, smooth phase and various patterned phases on the sphere. These calculations point toward possible future experimental tests of our model.

  19. On structural transitions in a discontinuous micellar cubic phase loaded with sodium diclofenac.

    PubMed

    Efrat, R; Aserin, A; Garti, N

    2008-05-01

    An intermediate mesophase of lyotropic liquid crystalline structure from the ternary mixtures of glycerol monooleate, water, and ethanol was recently characterized in our lab. This mesophase, termed Q(L), consists of discrete discontinuous micelles arranged in a cubic array. The Q(L) phase can solubilize very significant loads of water-insoluble anti-inflamatory drug sodium diclofenac (Na-DFC). Close examination of the internal structures of the lyotropic liquid structure upon increasing the solubilization loads reveals the existence of three structural transitions controlled by the Na-DFC levels. Up to 0.4 wt% Na-DFC, the Q(L) structure remains intact with some influence on the hydration of the headgroups and on the intermicellar forces. However, at 0.8 to 1.2 wt% Na-DFC, the discontinuous micellar cubic phase is transformed into a more condensed mesophase of a bicontinuous cubic phase. At > or =1.2 wt% Na-DFC, the cubic phase is converted into a lamellar phase (L(alpha)). Within 5.5 to 7.3 wt% Na-DFC the mesophase is progressively transformed into a less ordered lamellar structure. At 12 wt% Na-DFC crystals tend to precipitate out. At low Na-DFC concentrations the drug behaves like a lyotropic or kosmotropic salt and can salt-out the surfactant from its water layer, but at higher levels it behaves like a hydrotropic, chaotropic salt and can salt-in the surfactant. The Na-DFC location and position within the interface as well as its polarization and partial ionization are strongly affected by its solubilization contents and the structure that it is inducing. In the cubic phase the drug is located less close to the hydration layer while once transition occurs it is exposed more to the water layer and the surfactant headgroups.

  20. Nature of the cubic to tetragonal phase transition in methylammonium lead iodide perovskite.

    PubMed

    Saidi, Wissam A; Choi, Joshua J

    2016-10-14

    Hybrid organic-inorganic perovskites, as well as the perovskites in general, are known for their phase complexity evidenced by the stabilization of different polymorphs, and thus an understanding of their regions of stability and transitions can be important for their photovoltaic and optoelectronic technologies. Here we use a multiscale approach based on first-principles calculations with van der Waals corrections and classical force-field molecular dynamics to determine the finite-temperature properties of the tetragonal and cubic phases of CH3NH3PbI3. Temperature effects are implicitly included using the quasi-harmonic approximation that can describe anharmonic behavior due to thermal expansion through the dependence of the harmonic frequencies on structural parameters. Our finite-temperature free-energy surfaces predict the lattice and elastic moduli evolution with temperature, and show in particular that the calculated lattice parameters of the cubic and tetragonal phases are to within 1% of experimental values. Further, our results show that the phonons are the major contributing factor for stabilizing the cubic phase at high temperatures mainly due to the low-energy phonon modes that are associated with the inorganic lattice. On the other hand, the configurational entropy due to CH3NH3(+) rotational degrees of freedom is slightly more favored in the cubic phase and amounts to less than 0.2% of the T = 0 K free-energy difference between the two phases.

  1. Nature of the cubic to tetragonal phase transition in methylammonium lead iodide perovskite

    NASA Astrophysics Data System (ADS)

    Saidi, Wissam A.; Choi, Joshua J.

    2016-10-01

    Hybrid organic-inorganic perovskites, as well as the perovskites in general, are known for their phase complexity evidenced by the stabilization of different polymorphs, and thus an understanding of their regions of stability and transitions can be important for their photovoltaic and optoelectronic technologies. Here we use a multiscale approach based on first-principles calculations with van der Waals corrections and classical force-field molecular dynamics to determine the finite-temperature properties of the tetragonal and cubic phases of CH3NH3PbI3. Temperature effects are implicitly included using the quasi-harmonic approximation that can describe anharmonic behavior due to thermal expansion through the dependence of the harmonic frequencies on structural parameters. Our finite-temperature free-energy surfaces predict the lattice and elastic moduli evolution with temperature, and show in particular that the calculated lattice parameters of the cubic and tetragonal phases are to within 1% of experimental values. Further, our results show that the phonons are the major contributing factor for stabilizing the cubic phase at high temperatures mainly due to the low-energy phonon modes that are associated with the inorganic lattice. On the other hand, the configurational entropy due to CH3NH3+ rotational degrees of freedom is slightly more favored in the cubic phase and amounts to less than 0.2% of the T = 0 K free-energy difference between the two phases.

  2. Non--Cubic Symmetry of the Electronic Response in AFM Late Transition--Metal Oxides.

    NASA Astrophysics Data System (ADS)

    Posternak, M.; Baldereschi, A.; Massidda, S.; Resta, R.

    1998-03-01

    The late transition--metal monoxides (MnO, FeO, CoO, NiO) have the rocksalt structure in their paramagnetic phase, while below the Neel temperature a weak structural distortion accompanies an AFM ordering of type II. Therefore, it is generally assumed that most nonmagnetic (i.e. spin--integrated) crystalline properties are essentially cubic: we give here convincing evidence of the contrary. We focus on the half--filled d shell oxide MnO as the most suitable case study, on which we perform accurate ab--initio, all--electron calculations, within different one--particle schemes. In order to study the symmetry lowering due to AFM ordering, we assume an ideal cubic geometry throughout. The calculated TO frequencies and Born effective charge tensor do not have cubic symmetry. The standard LSD severely exaggerates the deviations from cubic symmetry, confirming its unreliability for calculating properties of insulating AFM oxides, while a model self--energy correction scheme(S. Massidda et al.), Phys. Rev. B 55, 13494 (1997). reduces considerably the anisotropy. We also explain the origin and the magnitude of this effect in terms of the mixed charge--transfer/Mott--Hubbard character of MnO.

  3. Superionic-Superionic Phase Transitions in Body-Centered Cubic H2O Ice

    NASA Astrophysics Data System (ADS)

    Hernandez, Jean-Alexis; Caracas, Razvan

    2016-09-01

    From first-principles molecular dynamics, we investigate the relation between the superionic proton conduction and the behavior of the O - H ⋯O bond (ice VII' to ice X transition) in body-centered-cubic (bcc) H2O ice between 1300 and 2000 K and up to 300 GPa. We bring evidence that there are three distinct phases in the superionic bcc stability field. A first superionic phase characterized by extremely fast diffusion of highly delocalized protons (denoted VII'' hereinafter) is stable at low pressures. A first-order transition separates this phase from a superionic VII' , characterized by a finite degree of localization of protons along the nonsymmetric O - H ⋯O bonds. The transition is identified in structural, energetic, and elastic analysis. Upon further compression a second-order phase transition leads to the superionic ice X with symmetric O - H - O bonds.

  4. Superionic-Superionic Phase Transitions in Body-Centered Cubic H_{2}O Ice.

    PubMed

    Hernandez, Jean-Alexis; Caracas, Razvan

    2016-09-23

    From first-principles molecular dynamics, we investigate the relation between the superionic proton conduction and the behavior of the O─H⋯O bond (ice VII^{'} to ice X transition) in body-centered-cubic (bcc) H_{2}O ice between 1300 and 2000 K and up to 300 GPa. We bring evidence that there are three distinct phases in the superionic bcc stability field. A first superionic phase characterized by extremely fast diffusion of highly delocalized protons (denoted VII^{''}  hereinafter) is stable at low pressures. A first-order transition separates this phase from a superionic VII^{'}, characterized by a finite degree of localization of protons along the nonsymmetric O─H⋯O bonds. The transition is identified in structural, energetic, and elastic analysis. Upon further compression a second-order phase transition leads to the superionic ice X with symmetric O─H─O bonds.

  5. Cubic to tetragonal phase transition of Tm{sup 3+} doped nanocrystals in oxyfluoride glass ceramics

    SciTech Connect

    Li, Yiming; Fu, Yuting; Shi, Yahui; Zhang, Xiaoyu; Yu, Hua E-mail: yuhua@nankai.edu.cn; Zhao, Lijuan E-mail: yuhua@nankai.edu.cn

    2016-02-15

    Tm{sup 3+} ions doped β-PbF{sub 2} nanocrystals in oxyfluoride glass ceramics with different doping concentrations and thermal temperatures are prepared by a traditional melt-quenching and thermal treatment method to investigate the structure and the phase transition of Tm{sup 3+} doped nanocrystals. The structures are characterized by X-ray diffraction Rietveld analysis and confirmed with numerical simulation. The phase transitions are proved further by the emission spectra. Both of the doping concentration and thermal temperature can induce an O{sub h} to D{sub 4h} site symmetry distortion and a cubic to tetragonal phase transition. The luminescence of Tm{sup 3+} doped nanocrystals at 800 nm was modulated by the phase transition of the surrounding crystal field.

  6. First principles calculations of mechanical properties of cubic 5d transition metal monocarbides

    NASA Astrophysics Data System (ADS)

    Yang, Jun; Gao, Faming

    2012-09-01

    The electronic and elastic properties of cubic 5d transition metal monocarbides in rocksalt, cesium chloride, and zinc blende structures have been studied by first principles calculations. The calculations show that the incompressibility for ReC in cesium chloride structure is even higher than that of diamond under pressure (above 89 GPa). The transformation pressure from zinc blende structure to rocksalt structure takes place at about 47 GPa for PtC. HfC-NaCl, ReC-CsCl, and HfC-ZnS have the smallest metallicity, leading to higher hardness. A valence electron number of 8/cell may be a stable valence shell configuration for 5d transition metal monocarbides in rocksalt and zinc blende structures.

  7. The structural origin of the hard-sphere glass transition in granular packing

    SciTech Connect

    Xia, Chengjie; Li, Jindong; Cao, Yixin; Kou, Binquan; Xiao, Xianghui; Fezzaa, Kamel; Xiao, Tiqiao; Wang, Yujie

    2015-09-28

    Glass transition is accompanied by a rapid growth of the structural relaxation time and a concomitant decrease of configurational entropy. It remains unclear whether the transition has a thermodynamic origin, and whether the dynamic arrest is associated with the growth of a certain static order. Using granular packing as a model hard-sphere glass, we show the glass transition as a thermodynamic phase transition with a ‘hidden’ polytetrahedral order. This polytetrahedral order is spatially correlated with the slow dynamics. It is geometrically frustrated and has a peculiar fractal dimension. Additionally, as the packing fraction increases, its growth follows an entropy-driven nucleation process, similar to that of the random first-order transition theory. In conclusion, our study essentially identifies a long-sought-after structural glass order in hard-sphere glasses.

  8. The structural origin of the hard-sphere glass transition in granular packing

    DOE PAGES

    Xia, Chengjie; Li, Jindong; Cao, Yixin; ...

    2015-09-28

    Glass transition is accompanied by a rapid growth of the structural relaxation time and a concomitant decrease of configurational entropy. It remains unclear whether the transition has a thermodynamic origin, and whether the dynamic arrest is associated with the growth of a certain static order. Using granular packing as a model hard-sphere glass, we show the glass transition as a thermodynamic phase transition with a ‘hidden’ polytetrahedral order. This polytetrahedral order is spatially correlated with the slow dynamics. It is geometrically frustrated and has a peculiar fractal dimension. Additionally, as the packing fraction increases, its growth follows an entropy-driven nucleationmore » process, similar to that of the random first-order transition theory. In conclusion, our study essentially identifies a long-sought-after structural glass order in hard-sphere glasses.« less

  9. Intermittency and transition to chaos in the cubical lid-driven cavity flow

    NASA Astrophysics Data System (ADS)

    Loiseau, J.-Ch; Robinet, J.-Ch; Leriche, E.

    2016-12-01

    Transition from steady state to intermittent chaos in the cubical lid-driven cavity flow is investigated numerically. Fully three-dimensional stability analyses have revealed that the flow experiences an Andronov-Poincaré-Hopf bifurcation at a critical Reynolds number Re c = 1914. As for the 2D-periodic lid-driven cavity flows, the unstable mode originates from a centrifugal instability of the primary vortex core. A Reynolds-Orr analysis reveals that the unstable perturbation relies on a combination of the lift-up and anti lift-up mechanisms to extract its energy from the base flow. Once linearly unstable, direct numerical simulations show that the flow is driven toward a primary limit cycle before eventually exhibiting intermittent chaotic dynamics. Though only one eigenpair of the linearized Navier-Stokes operator is unstable, the dynamics during the intermittencies are surprisingly well characterized by one of the stable eigenpairs.

  10. Cubic-tetragonal phase transition in KMnF3: excess entropy and spontaneous strain

    NASA Astrophysics Data System (ADS)

    Hayward, S. A.; Romero, F. J.; Gallardo, M. C.; del Cerro, J.; Gibaud, A.; Salje, E. K. H.

    2000-02-01

    The transition between cubic and tetragonal phases in KMnF3 has been studied by x-ray diffraction rocking curves and calorimetry. Comparison of the excess entropy with the order parameter Q obtained from spontaneous strain shows that the mean field relationship icons/Journals/Common/Delta" ALT="Delta" ALIGN="TOP"/> Sicons/Journals/Common/propto" ALT="propto" ALIGN="TOP"/> Q 2 is obeyed to within experimental error. The data are fitted to a Landau free energy expression icons/Journals/Common/Delta" ALT="Delta" ALIGN="TOP"/> G = 1/2 A (T -TC )Q 2 +(1/4) BQ 4 +(1/6)CQ 6 , with A = 2.781 J K-1 mol-1 , B = -57.63 J mol-1 , C = 574.2 J mol-1 , TC = 185.76 K. No significant excess specific heat is found at T >>TC .

  11. Phenomenological Equations Relating Various Critical Anomalies above a Cubic-to-Tetragonal Phase Transition Point

    NASA Astrophysics Data System (ADS)

    Hamano, Katsumi; Hirotsu, Shunsuke

    1980-01-01

    Phenomenological equations are derived which interrelate the anomalies in various thermodynamic quantities above the transition point of a cubic-to-tetragonal phase transition caused by an instability of a triply degenerate soft mode. The anomalous part of the Gibbs free energy is assumed to be a simple sum of the three parts which represent the contributions from the three fluctuation components. A cylindrical approximation is adopted to each of the three contributions by taking into account the symmetry of the fluctuations. The theory predicts that the adiabatic elastic compliances, s11s, s12s, and also s11s-s12s should exhibit anomalies proportional to the anomaly in the specific heat at constant pressure. This is in marked contrast with the result of the generalized Pippard equations derived by Garland, and by Janovec. The new equations are successfully tested for KMnF3, CsPbCl3, and CsPbBr3. The β-γ transition of NH4Br is also discussed.

  12. Transition from multiplicity to singularity of steady natural convection in a tilted cubical enclosure.

    PubMed

    Torres, Juan F; Henry, Daniel; Komiya, Atsuki; Maruyama, Shigenao

    2015-08-01

    The transition from the complex Rayleigh-Bénard convection to the simple heated-from-the-sides configuration in a cubical cavity filled with a Newtonian fluid is numerically studied. The cavity is tilted by an angle θ around its lower horizontal edge and is heated and cooled from two opposite tilted sides. We first analyze the effect of a marginal inclination angle on quasi-Rayleigh-Bénard convection (θ≈0∘), which is a realistic physical approximation to the ideal Rayleigh-Bénard convection. We then yield the critical angles where multiple solutions that were initially found for θ≈0∘ disappear, eventually resulting in the single steady roll solution found in the heated-from-the-sides configuration (θ=90∘). We confirm the existence of critical angles during the transition θ:0∘→90∘, and we demonstrate that such angles are a consequence of either singularities or collisions of bifurcation points in the Rayleigh-number-θ parameter space. We finally derive the most important critical angles corresponding to any Newtonian fluid of Prandtl number greater than that of air.

  13. Transition from multiplicity to singularity of steady natural convection in a tilted cubical enclosure

    NASA Astrophysics Data System (ADS)

    Torres, Juan F.; Henry, Daniel; Komiya, Atsuki; Maruyama, Shigenao

    2015-08-01

    The transition from the complex Rayleigh-Bénard convection to the simple heated-from-the-sides configuration in a cubical cavity filled with a Newtonian fluid is numerically studied. The cavity is tilted by an angle θ around its lower horizontal edge and is heated and cooled from two opposite tilted sides. We first analyze the effect of a marginal inclination angle on quasi-Rayleigh-Bénard convection (θ ≈0∘ ), which is a realistic physical approximation to the ideal Rayleigh-Bénard convection. We then yield the critical angles where multiple solutions that were initially found for θ ≈0∘ disappear, eventually resulting in the single steady roll solution found in the heated-from-the-sides configuration (θ =90∘ ). We confirm the existence of critical angles during the transition θ :0∘→90∘ , and we demonstrate that such angles are a consequence of either singularities or collisions of bifurcation points in the Rayleigh-number-θ parameter space. We finally derive the most important critical angles corresponding to any Newtonian fluid of Prandtl number greater than that of air.

  14. Size dependent transition enthalpy in PbTiO3 nanoparticles due to a cubic surface layer

    NASA Astrophysics Data System (ADS)

    Ma, Wenhui

    2013-05-01

    Size dependence of transition enthalpy observed in ferroelectric PbTiO3 nanoparticles has been shown to result from volume averaging or the surface dilution effect rather than size induced reduction of spontaneous polarization at the first-order phase transition temperature. The PbTiO3 nanoparticles are suggested to be composed of a cubic surface layer with size independent thickness and a ferroelectric core having nonzero and size independent spontaneous polarization at the transition point. Based on a surface layer model, thickness of the cubic surface layer at the Curie temperature is estimated to be around 5-8 nm for PbTiO3 nanoparticles from the literature-reported transition enthalpy data. The present analyses indicate that the size effect in ferroelectrics is possibly a surface related extrinsic effect.

  15. Phase transition induced by a shock wave in hard-sphere and hard-disk systems.

    PubMed

    Zhao, Nanrong; Sugiyama, Masaru; Ruggeri, Tommaso

    2008-08-07

    Dynamic phase transition induced by a shock wave in hard-sphere and hard-disk systems is studied on the basis of the system of Euler equations with caloric and thermal equations of state. First, Rankine-Hugoniot conditions are analyzed. The quantitative classification of Hugoniot types in terms of the thermodynamic quantities of the unperturbed state (the state before a shock wave) and the shock strength is made. Especially Hugoniot in typical two possible cases (P-1 and P-2) of the phase transition is analyzed in detail. In the case P-1 the phase transition occurs between a metastable liquid state and a stable solid state, and in the case P-2 the phase transition occurs through coexistence states, when the shock strength changes. Second, the admissibility of the two cases is discussed from a viewpoint of the recent mathematical theory of shock waves, and a rule with the use of the maximum entropy production rate is proposed as the rule for selecting the most probable one among the possible cases, that is, the most suitable constitutive equation that predicts the most probable shock wave. According to the rule, the constitutive equation in the case P-2 is the most promising one in the dynamic phase transition. It is emphasized that hard-sphere and hard-disk systems are suitable reference systems for studying shock wave phenomena including the shock-induced phase transition in more realistic condensed matters.

  16. Transition to a time-dependent state of fluid flow in the wake of a sphere.

    PubMed

    Gumowski, K; Miedzik, J; Goujon-Durand, S; Jenffer, P; Wesfreid, J E

    2008-05-01

    In this paper, the results of laboratory investigation about the flow behind the sphere in the range of 150transition where the flow breaks the axisymmetry, very controlled experiments allow one to define a threshold for the second transition from stationary to unstable flow, which includes three-dimensional peristaltic oscillations of the two trailing vortices prior to hairpins shedding. The scenario has been proposed to explain the hairpin formation, as pieces of a counter-rotating longitudinal vortex. Hairpin shedding is suggested to be the result of oscillations, which are powerful enough, and reconnection of the trailing vortices.

  17. Nanotubes within transition metal silicate hollow spheres: Facile preparation and superior lithium storage performances

    SciTech Connect

    Zhang, Fan; An, Yongling; Zhai, Wei; Gao, Xueping; Feng, Jinkui; Ci, Lijie; Xiong, Shenglin

    2015-10-15

    Highlights: • The hollow Co{sub 2}SiO{sub 4}, MnSiO{sub 3} and CuSiO{sub 3} were successfully prepared by a facile hydrothermal method using SiO{sub 2} nanosphere. • The hollow Co{sub 2}SiO{sub 4}, MnSiO{sub 3} and CuSiO{sub 3} were tested as anode materials for lithium batteries. • The hollow Co{sub 2}SiO{sub 4}, MnSiO{sub 3} and CuSiO{sub 3} delivered superior electrochemical performance. • The lithium storage mechanism is probe via cyclic voltammetry and XPS. - Abstract: A series of transition metal silicate hollow spheres, including cobalt silicate (Co{sub 2}SiO{sub 4}), manganese silicate (MnSiO{sub 3}) and copper silicate (CuSiO{sub 3}.2H{sub 2}O, CuSiO{sub 3} as abbreviation in the text) were prepared via a simple and economic hydrothermal method by using silica spheres as chemical template. Time-dependent experiments confirmed that the resultants formed a novel type of hierarchical structure, hollow spheres assembled by numerous one-dimensional (1D) nanotubes building blocks. For the first time, the transition metal silicate hollow spheres were characterized as novel anode materials of Li-ion battery, which presented superior lithium storage capacities, cycle performance and rate performance. The 1D nanotubes assembly and hollow interior endow this kind of material facilitate fast lithium ion and electron transport and accommodate the big volume change during the conversion reactions. Our study shows that low-cost transition metal silicate with rationally designed nanostructures can be promising anode materials for high capacity lithium-ion battery.

  18. Dynamics of Disorder-Order Transitions in Hard Sphere Colloidal Dispersions in micro-g

    NASA Technical Reports Server (NTRS)

    Zhu, J. X.; Li, M.; Phan, S. E.; Russel, W. B.; Chaikin, Paul M.; Rogers, Rick; Meyers, W.

    1996-01-01

    We performed a series of experiments on 0.518 millimeter PMMA spheres suspended in an index matching mixture of decalin and tetralin the microgravity environment provided by the Shuttle Columbia on mission STS-73. The samples ranged in concentration from 0.49 to 0.62. volume fraction (phi) of spheres, which covers the range in which liquid, coexistence, solid and glass phases are expected from Earth bound experiments. Light scattering was used to probe the static structure, and the particle dynamics. Digital and 35 mm photos provided information on the morphology of the crystals. In general, the crystallites grew considerably larger (roughly an order of magnitude larger) than the same samples with identical treatment in 1 g. The dynamic light scattering shows the typical short time diffusion and long time caging effects found in 1 g. The surprises that were encountered in microgravity include the preponderance of random hexagonal close packed (RHCP) structures and the complete absence of the expected face centered cubic (FCC) structure, existence of large dendritic crystals floating in the coexistence samples (where liquid and solid phases coexist) and the rapid crystallization of samples which exist only in glass phase under the influence of one g. These results suggest that colloidal crystal growth is profoundly effected by gravity in yet unrecognized ways. We suspect that the RCHP structure is related to the nonequilibrium growth that is evident from the presence of dendrites. An analysis of the dendritic growth instabilities is presented within the framework of the Ackerson-Schatzel equation.

  19. Structural and mechanical features of the order-disorder transition in experimental hard-sphere packings

    NASA Astrophysics Data System (ADS)

    Hanifpour, M.; Francois, N.; Robins, V.; Kingston, A.; Vaez Allaei, S. M.; Saadatfar, M.

    2015-06-01

    Here we present an experimental and numerical investigation on the grain-scale geometrical and mechanical properties of partially crystallized structures made of macroscopic frictional grains. Crystallization is inevitable in arrangements of monosized hard spheres with packing densities exceeding Bernal's limiting density ϕBernal≈0.64 . We study packings of monosized hard spheres whose density spans over a wide range (0.59 <ϕ <0.72 ) . These experiments harness x-ray computed tomography, three-dimensional image analysis, and numerical simulations to access precisely the geometry and the 3D structure of internal forces within the sphere packings. We show that clear geometrical transitions coincide with modifications of the mechanical backbone of the packing both at the grain and global scale. Notably, two transitions are identified at ϕBernal≈0.64 and ϕc≈0.68 . These results provide insights on how geometrical and mechanical features at the grain scale conspire to yield partially crystallized structures that are mechanically stable.

  20. First-order patterning transitions on a sphere as a route to cell morphology

    PubMed Central

    Lavrentovich, Maxim O.; Horsley, Eric M.; Radja, Asja; Sweeney, Alison M.; Kamien, Randall D.

    2016-01-01

    We propose a general theory for surface patterning in many different biological systems, including mite and insect cuticles, pollen grains, fungal spores, and insect eggs. The patterns of interest are often intricate and diverse, yet an individual pattern is robustly reproducible by a single species and a similar set of developmental stages produces a variety of patterns. We argue that the pattern diversity and reproducibility may be explained by interpreting the pattern development as a first-order phase transition to a spatially modulated phase. Brazovskii showed that for such transitions on a flat, infinite sheet, the patterns are uniform striped or hexagonal. Biological objects, however, have finite extent and offer different topologies, such as the spherical surfaces of pollen grains. We consider Brazovskii transitions on spheres and show that the patterns have a richer phenomenology than simple stripes or hexagons. We calculate the free energy difference between the unpatterned state and the many possible patterned phases, taking into account fluctuations and the system’s finite size. The proliferation of variety on a sphere may be understood as a consequence of topology, which forces defects into perfectly ordered phases. The defects are then accommodated in different ways. We also argue that the first-order character of the transition is responsible for the reproducibility and robustness of the pattern formation. PMID:27102872

  1. Crystallization of Hard Sphere Colloids in Microgravity: Results of the Colloidal Disorder-Order Transition, CDOT on USML-2. Experiment 33

    NASA Technical Reports Server (NTRS)

    Zhu, Ji-Xiang; Chaikin, P. M.; Li, Min; Russel, W. B.; Ottewill, R. H.; Rogers, R.; Meyer, W. V.

    1998-01-01

    Classical hard spheres have long served as a paradigm for our understanding of the structure of liquids, crystals, and glasses and the transitions between these phases. Ground-based experiments have demonstrated that suspensions of uniform polymer colloids are near-ideal physical realizations of hard spheres. However, gravity appears to play a significant and unexpected role in the formation and structure of these colloidal crystals. In the microgravity environment of the Space Shuttle, crystals grow purely via random stacking of hexagonal close-packed planes, lacking any of the face-centered cubic (FCC) component evident in crystals grown in 1 g beyond melting and allowed some time to settle. Gravity also masks 33-539 the natural growth instabilities of the hard sphere crystals which exhibit striking dendritic arms when grown in microgravity. Finally, high volume fraction "glass" samples which fail to crystallize after more than a year in 1 g begin nucleation after several days and fully crystallize in less than 2 weeks on the Space Shuttle.

  2. The Dynamics of Disorder-Order Transition in Hard Sphere Colloidal Dispersions

    NASA Technical Reports Server (NTRS)

    Chaikin, Paul M.; Zhu, Jixiang; Cheng, Zhengdong; Phan, See-Eng; Russel, William B.; Lant, Christian T.; Doherty, Michael P.; Meyer, William V.; Rogers, Richard; Cannell, D. S.; Ottewill, R. H.

    1998-01-01

    The Physics of Hard Spheres Experiment (PHaSE) seeks a complete understanding of the entropically driven disorder-order transition in hard sphere colloidal dispersions. The light scattering instrument designed for flight collects Bragg and low angle light scattering in the forward direction via a CCD camera and performs conventional static and dynamic light scattering at 10-160 deg. through fiber optic cables. Here we report on the kinetics of nucleation and growth extracted from time-resolved Bragg images and measurements of the elastic modulus of crystalline phases obtained by monitoring resonant responses to sinusoidal forcing through dynamic light scattering. Preliminary analysis of the former indicates a significant difference from measurements on the ground, while the latter confirms nicely laboratory experiments with the same instrument and predictions from computer simulations.

  3. Phase transitions in two-dimensional monolayer films on the (110) face-centered-cubic crystal surface

    NASA Astrophysics Data System (ADS)

    Patrykiejew, A.; Sokołowski, S.; Zientarski, T.; Binder, K.

    1998-03-01

    The results of Monte Carlo simulation of two-dimensional films formed on the (110) face of a face-centered-cubic crystal are presented. Systems with different corrugation of the gas-solid potential and different size of adsorbed atoms are discussed. It is demonstrated that even small changes in the gas-solid potential corrugation considerably affect the inner structure of the low-temperature ordered phases and the location of the order-disorder phase transition.

  4. Ionic and Optical Properties of Methylammonium Lead Iodide Perovskite across the Tetragonal-Cubic Structural Phase Transition

    SciTech Connect

    Hoque, Md Nadim Ferdous; Islam, Nazifah; Li, Zhen; Ren, Guofeng; Zhu, Kai; Fan, Zhaoyang

    2016-09-01

    Practical hybrid perovskite solar cells (PSCs) must endure temperatures above the tetragonal-cubic structural phase transition of methylammonium lead iodide (MAPbI3). However, the ionic and optical properties of MAPbI3 in such a temperature range, and particularly, dramatic changes in these properties resulting from a structural phase transition, are not well studied. Herein, we report a striking contrast at approximately 45 degrees C in the ionic/electrical properties of MAPbl3 owing to a change of the ion activation energy from 0.7 to 0.5 eV, whereas the optical properties exhibit no particular transition except for the steady increase of the bandgap with temperature. These observations can be explained by the 'continuous' nature of perovskite phase transition. We speculate that the critical temperature at which the ionic/electrical properties change, although related to crystal symmetry variation, is not necessarily the same temperature as when tetragonal-cubic structural phase transition occurs.

  5. Three-dimensional kinetic Monte Carlo simulations of cubic transition metal nitride thin film growth

    NASA Astrophysics Data System (ADS)

    Nita, F.; Mastail, C.; Abadias, G.

    2016-02-01

    A three-dimensional kinetic Monte Carlo (KMC) model has been developed and used to simulate the microstructure and growth morphology of cubic transition metal nitride (TMN) thin films deposited by reactive magnetron sputtering. Results are presented for the case of stoichiometric TiN, chosen as a representative TMN prototype. The model is based on a NaCl-type rigid lattice and includes deposition and diffusion events for both N and Ti species. It is capable of reproducing voids and overhangs, as well as surface faceting. Simulations were carried out assuming a uniform flux of incoming particles approaching the surface at normal incidence. The ballistic deposition model is parametrized with an interaction parameter r0 that mimics the capture distance at which incoming particles may stick on the surface, equivalently to a surface trapping mechanism. Two diffusion models are implemented, based on the different ways to compute the site-dependent activation energy for hopping atoms. The influence of temperature (300-500 K), deposition flux (0.1-100 monolayers/s), and interaction parameter r0 (1.5-6.0 Å) on the obtained growth morphology are presented. Microstructures ranging from highly porous, [001]-oriented straight columns with smooth top surface to rough columns emerging with different crystallographic facets are reproduced, depending on kinetic restrictions, deposited energy (seemingly captured by r0), and shadowing effect. The development of facets is a direct consequence of the diffusion model which includes an intrinsic (minimum energy-based) diffusion anisotropy, although no crystallographic diffusion anisotropy was explicitly taken into account at this stage. The time-dependent morphological evolution is analyzed quantitatively to extract the growth exponent β and roughness exponent α , as indicators of kinetic roughening behavior. For dense TiN films, values of α ≈0.7 and β =0.24 are obtained in good agreement with existing experimental data. At this

  6. Triclinic-cubic phase transition and negative expansion in the actinide IV (Th, U, Np, Pu) diphosphates.

    PubMed

    Wallez, Gilles; Raison, Philippe E; Dacheux, Nicolas; Clavier, Nicolas; Bykov, Denis; Delevoye, Laurent; Popa, Karin; Bregiroux, Damien; Fitch, Andrew N; Konings, Rudy J M

    2012-04-02

    The AnP(2)O(7) diphosphates (An = Th, U, Np, Pu) have been synthesized by various routes depending on the stability of the An(IV) cation and its suitability for the unusual octahedral environment. Synchrotron and X-ray diffraction, thermal analysis, Raman spectroscopy, and (31)P nuclear magnetic resonance reveal them as a new family of diphosphates which probably includes the recently studied CeP(2)O(7). Although they adopt at high temperature the same cubic archetypal cell as the other known MP(2)O(7) diphosphates, they differ by a very faint triclinic distortion at room temperature that results from an ordering of the P(2)O(7) units, as shown using high-resolution synchrotron diffraction for UP(2)O(7). The uncommon triclinic-cubic phase transition is first order, and its temperature is very sensitive to the ionic radius of An(IV). The conflicting effects which control the thermal variations of the P-O-P angle are responsible for a strong expansion of the cell followed by a contraction at higher temperature. This inversion of expansion occurs at a temperature significantly higher than the phase transition, at variance with the parent compounds with smaller M(IV) cations in which the two phenomena coincide. As shown by various approaches, the P-O(b)-P linkage remains bent in the cubic form.

  7. Probing the equilibrium dynamics of colloidal hard spheres above the mode-coupling glass transition.

    PubMed

    Brambilla, G; El Masri, D; Pierno, M; Berthier, L; Cipelletti, L; Petekidis, G; Schofield, A B

    2009-02-27

    We use dynamic light scattering and computer simulations to study equilibrium dynamics and dynamic heterogeneity in concentrated suspensions of colloidal hard spheres. Our study covers an unprecedented density range and spans seven decades in structural relaxation time, tau(alpha0, including equilibrium measurements above phi(c), the location of the glass transition deduced from fitting our data to mode-coupling theory. Instead of falling out of equilibrium, the system remains ergodic above phi(c) and enters a new dynamical regime where tau(alpha) increases with a functional form that was not anticipated by previous experiments, while the amplitude of dynamic heterogeneity grows slower than a power law with tau(alpha), as found in molecular glass formers close to the glass transition.

  8. The three dimensionality of cell membranes: lamellar to cubic membrane transition as investigated by electron microscopy.

    PubMed

    Chong, Ketpin; Deng, Yuru

    2012-01-01

    Biological membranes are generally perceived as phospholipid bilayer structures that delineate in a lamellar form the cell surface and intracellular organelles. However, much more complex and highly convoluted membrane organizations are ubiquitously present in many cell types under certain types of stress, states of disease, or in the course of viral infections. Their occurrence under pathological conditions make such three-dimensionally (3D) folded and highly ordered membranes attractive biomarkers. They have also stimulated great biomedical interest in understanding the molecular basis of their formation. Currently, the analysis of such membrane arrangements, which include tubulo-reticular structures (TRS) or cubic membranes of various subtypes, is restricted to electron microscopic methods, including tomography. Preservation of membrane structures during sample preparation is the key to understand their true 3D nature. This chapter discusses methods for appropriate sample preparations to successfully examine and analyze well-preserved highly ordered membranes by electron microscopy. Processing methods and analysis conditions for green algae (Zygnema sp.) and amoeba (Chaos carolinense), mammalian cells in culture and primary tissue cells are described. We also discuss methods to identify cubic membranes by transmission electron microscopy (TEM) with the aid of a direct template matching method and by computer simulation. A 3D analysis of cubic cell membrane topology by electron tomography is described as well as scanning electron microscopy (SEM) to investigate surface contours of isolated mitochondria with cubic membrane arrangement.

  9. Importance of many-body correlations in glass transition: An example from polydisperse hard spheres

    NASA Astrophysics Data System (ADS)

    Leocmach, Mathieu; Russo, John; Tanaka, Hajime

    2013-03-01

    Most of the liquid-state theories, including glass-transition theories, are constructed on the basis of two-body density correlations. However, we have recently shown that many-body correlations, in particular, bond orientational correlations, play a key role in both the glass transition and the crystallization transition. Here we show, with numerical simulations of supercooled polydisperse hard spheres systems, that the length-scale associated with any two-point spatial correlation function does not increase toward the glass transition. A growing length-scale is instead revealed by considering many-body correlation functions, such as correlators of orientational order, which follows the length-scale of the dynamic heterogeneities. Despite the growing of crystal-like bond orientational order, we reveal that the stability against crystallization with increasing polydispersity is due to an increasing population of icosahedral arrangements of particles. Our results suggest that, for this type of systems, many-body correlations are a manifestation of the link between the vitrification and the crystallization phenomena. Whether a system is vitrified or crystallized can be controlled by the degree of frustration against crystallization, polydispersity in this case.

  10. Nanocrystalline cubic CuFe2O4: size dependent transition from ferrimagnetic to superparamagnetic behaviour.

    PubMed

    Banerjee, M; Rai, Archana

    2007-06-01

    Nanocrystalline cubic CuFe2O4 have been prepared by co-precipitation method. The experimental conditions have been controlled to produce CuFe2O4 with particle size 18 nm, 7.2 nm, and 3.2 nm as calculated by Scherrer formula. Room temperature Mössbauer spectra show that 18 nm and 7.2 nm CuFe2O4 exhibit ferrimagnetism while 3.2 nm CuFe2O4 exhibits superparamagnetism. The cationic distribution calculated using Mössbauer spectra confirm to the cubic structure confirming the findings of XRD study. XPS data corroborates the finding. Low temperature Mössbauer measurements on 3.2 nm particles show gradual transformation to ferrimagnetic state.

  11. Influence of gadolinium content on the tetragonal to cubic phase transition in zirconia-silica binary oxides

    SciTech Connect

    Behera, Pallavi Suhasinee; Vasanthavel, S.; Ponnilavan, V.; Kannan, S.

    2015-05-15

    The present study reports the effect of gadolinium (Gd{sup 3+}) in zirconia-silica (ZrO{sub 2}-SiO{sub 2}) binary oxides. The pure ZrO{sub 2}-SiO{sub 2} synthesized at 1100 °C was tetragonal. The addition of Gd{sup 3+} in the concentration range of 5%–10% resulted in the formation of t-ZrO{sub 2}, whereas higher contents of Gd{sup 3+} led to the formation of cubic ZrO{sub 2} (c-ZrO{sub 2}). The presence of Gd{sup 3+} also affected the lattice parameters of both t-ZrO{sub 2} and c-ZrO{sub 2}. Magnetic studies confirmed a steady increase in the paramagnetic behaviour with increasing content of Gd{sup 3+}. - Graphical abstract: t-ZrO{sub 2} to c-ZrO{sub 2} phase transition influenced by Gd{sup 3+} content. - Highlights: • Sol-gel synthesis of Gd{sup 3+} added SiO{sub 2}-ZrO{sub 2} binary oxides. • Significant role of Gd{sup 3+} content in the tetragonal and cubic stabilization of ZrO{sub 2}. • Phase stability of either tetragonal or cubic stabilization till 1100 °C. • Gd{sup 3+} additions ensured additional paramagnetic behaviour in SiO{sub 2}-ZrO{sub 2} binary oxide.

  12. Tuning the sphere-to-rod transition in the self-assembly of thermoresponsive polymer hybrids.

    PubMed

    Lee, Jangwook; Park, Honghyun; Jeong, Eun Ju; Kwark, Young-Je; Lee, Kuen Yong

    2015-12-01

    Nano-scale drug delivery systems have undergone extensive development, and control of size and structure is critical for regulation of their biological responses and therapeutic efficacy. Amphiphilic polymers that form self-assembled structures in aqueous media have been investigated and used for the diagnosis and therapy of various diseases, including cancer. Here, we report the design and fabrication of thermoresponsive polymeric micelles from alginate conjugated with poly(N-isopropylacrylamide) (PNIPAAm). Alginate-PNIPAAm hybrids formed self-aggregated structures in response to temperature changes near body temperature. A structural transition from micellar spheres to rods of alginate-PNIPAAm hybrids was observed depending on the molecular weight of PNIPAAm and the polymer concentration. Additionally, hydrogels with nanofibrous structures were formed by simply increasing the polymer concentration. This approach to controlling the structure of polymer micelles from nanoparticles to fibrous hydrogels may be useful in applications in drug delivery and tissue engineering.

  13. Kinetics of Hexagonal-Body-Centered Cubic Transition in a Triblock Copolymer in a Selective Solvent: Time-Resolved Small-Angle X-ray Scattering Measurements and Model Calculations

    SciTech Connect

    Li,M.; Liu, Y.; Nie, H.; Bansil, R.; Steinhart, M.

    2007-01-01

    Time-resolved small-angle X-ray scattering (SAXS) was used to examine the kinetics of the transition from hexagonal (hex) cylinders to body-centered cubic (bcc) spheres at various temperatures in poly(styrene-b-ethylene-co-butylene-b-styrene) (SEBS) in mineral oil, a selective solvent for the middle ethylene-co-butylene (EB) block. Temperature-ramp SAXS and rheology measurements show the hex to bcc order-order transition (OOT) at 127 C and order-disorder transition (ODT) at 180 C. We also observed the metastability limit of hex in bcc with a spinodal temperature, Ts 150 C. The OOT exhibits three stages and occurs via a nucleation and growth mechanism when the final temperature Tf < Ts. Spinodal decomposition in a continuous ordering system was seen when Ts < Tf < TODT. We observed that hex cylinders transform to disordered spheres via a transient bcc state. We develop a geometrical model of coupled anisotropic fluctuations and calculate the scattering which shows very good agreement with the SAXS data. The splitting of the primary peak into two peaks when the cylinder spacing and modulation wavelength are incommensurate predicted by the model is confirmed by analysis of the SAXS data.

  14. Transition to complex dynamics in the cubic lid-driven cavity

    NASA Astrophysics Data System (ADS)

    Wu, Ke; Lopez, Juan M.; Welfert, Bruno D.; Yalim, Jason

    2016-11-01

    The cubic lid-drive cavity flow is simulated numerically by a Chebyshev collocation method, focusing on the onset of unsteadiness. The onset is directly to intermittent chaos. This has been reported by others in 2014, but they were unable to explain why, in such a simple geometry at quite modest Reynolds numbers (Re 1930), the flow should go from being steady directly to intermittent chaos. In this presentation, we show that the reason has three components: instability of the steady flow is subcritical, breaking of the reflection symmetry about the spanwise midplane, and spanwise confinement. These ingredients lead to there being no locally attracting states for Re beyond which the steady state loses stability, and the intermittent bursts are excursions shadowing unstable and stable manifolds of the (unstable) saddle local states. We show that this comes about because the instability of the steady state is close to a subcritical double Hopf bifurcation, and note that very recent theory on such bifurcations shows that they have associated dynamics that captures all the observed complexity in the cubic lid-driven cavity in the neighborhood of its primary instability.

  15. Sphere-To-Tube Transition toward Nanotube Formation: A Universal Route by Inverse Plateau-Rayleigh Instability.

    PubMed

    Ma, Long; Peng, Jing; Wu, Changzheng; He, Linghui; Ni, Yong

    2017-03-28

    Nanotube formation in low-temperature solution has attracted intense interest since the 1990s. How to disclose the in-depth physicochemical nature of nanotubes and pursue new available chemical strategies is still highly desirable but remains a challenge. Here, we report that sphere-to-tube transition triggered by inverse Plateau-Rayleigh instability can be a chemical route for scalable production of nanotubes. As a proof of concept, formation of a phosphorus nitride (PN) nanotube and various hierarchical nanotube architectures by coalescence of the PN hollow spheres is achieved under systematic solvothermal reaction. The combination of theoretical analysis and dynamic simulation elucidates that the inverse Plateau-Rayleigh instability driven by the competition between curvature elasticity and surface energy is responsible for the PN nanotube formation observed in experiments. We anticipate that the sphere-to-tube transition provides a paradigm for nanotube synthesis for practical applications.

  16. Nonlinear and Nonlocal Lattice Dynamical Effects in the Cubic-Tetragonal Improper Ferroelastic Phase Transition in Perovskites.

    NASA Astrophysics Data System (ADS)

    Cao, Wenwu

    1987-09-01

    Perovskite compounds, ABX(,3), have been studied both experimentally and theoretically above and below the cubic-tetragonal improper ferroelastic phase transition. The second order elastic constants of Potassium Manganese Fluoride KMnF(,3) were measured as function of temperature in the cubic prototype phase. Along 100 and 110 the two longitudinal modes were measured from 190 K to 430 K, and the two independent transverse modes from 190 K to 350 K. Strong anomalies were observed near the phase transition (T(,c) = 186 K). The three independent pressure derivatives of the elastic constants were measured from 200 K to 400 K and also show anomalous behavior near T(,c). By means of second harmonic generation, the nonlinearity parameter was measured in 100 , 110 and 111 from 298 K to 348 K. In this temperature range, all six independent third order elastic constants have been determined. Above 320 K the second and third order elastic constants show linear temperature dependence. The values pertaining to the static crystal were obtained by linear extrapolation to T = 0 from the high temperature region where the effect of the phase transition has subsided. A Landau-Ginzburg continuum model for the interphase boundaries in the heterotype phase has been developed. It includes nonlinear local terms and nonlocal gradient terms for the three-component primary order parameter (the rotation angles of the BX(,6) octahedra). By means of group theoretical methods, the gradient coefficients have been expressed in terms of the nonlinear dispersion of the soft phonon mode near the R-point. Analytic and numerical kink-type soliton solutions for both antiphase and twin boundaries were obtained. According to this model, the symmetry in the center of the twin boundary should be trigonal (rather than cubic, as for a proper ferroelastic). Numerical application to Strontium Titanate, SrTiO(,3), shows that at T = 0 the domain wall thickness is 12 (ANGSTROM), and the domain wall energy density

  17. Shock-induced phase transition in systems of hard spheres with internal degrees of freedom

    NASA Astrophysics Data System (ADS)

    Taniguchi, Shigeru; Mentrelli, Andrea; Zhao, Nanrong; Ruggeri, Tommaso; Sugiyama, Masaru

    2010-06-01

    Shock waves and shock-induced phase transitions are theoretically and numerically studied on the basis of the system of Euler equations with caloric and thermal equations of state for a system of hard spheres with internal degrees of freedom. First, by choosing the unperturbed state (the state before the shock wave) in the liquid phase, the Rankine-Hugoniot conditions are studied and their solutions are classified on the basis of the phase of the perturbed state (the state after the shock wave), being a shock-induced phase transition possible under certain conditions. With this regard, the important role of the internal degrees of freedom is shown explicitly. Second, the admissibility (stability) of shock waves is studied by means of the results obtained by Liu in the theory of hyperbolic systems. It is shown that another type of instability of a shock wave can exist even though the perturbed state is thermodynamically stable. Numerical calculations have been performed in order to confirm the theoretical results in the case of admissible shocks and to obtain the actual evolution of the wave profiles in the case of inadmissible shocks (shock splitting phenomena).

  18. Activation Energy of the Low-pH-Induced Lamellar to Bicontinuous Cubic Phase Transition in Dioleoylphosphatidylserine/Monoolein.

    PubMed

    Oka, Toshihiko; Saiki, Takahiro; Alam, Jahangir Md; Yamazaki, Masahito

    2016-02-09

    Electrostatic interaction is an important factor for phase transitions between lamellar liquid-crystalline (Lα) and inverse bicontinuous cubic (QII) phases. We investigated the effect of temperature on the low-pH-induced Lα to double-diamond cubic (QII(D)) phase transition in dioleoylphosphatidylserine (DOPS)/monoolein (MO) using time-resolved small-angle X-ray scattering with a stopped-flow apparatus. Under all conditions of temperature and pH, the Lα phase was directly transformed into an intermediate inverse hexagonal (HII) phase, and subsequently the HII phase slowly converted to the QII(D) phase. We obtained the rate constants of the initial step (i.e., the Lα to HII phase transition) and of the second step (i.e., the HII to QII(D) phase transition) using the non-negative matrix factorization method. The rate constant of the initial step increased with temperature. By analyzing this result, we obtained the values of its apparent activation energy, Ea (Lα → HII), which did not change with temperature but increased with an increase in pH. In contrast, the rate constant of the second step decreased with temperature at pH 2.6, although it increased with temperature at pH 2.7 and 2.8. These results indicate that the value of Ea (HII → QII(D)) at pH 2.6 increased with temperature, but the values of Ea (HII → QII(D)) at pH 2.7 and 2.8 were constant with temperature. The values of Ea (HII → QII(D)) were smaller than those of Ea (Lα → HII) at the same pH. We analyzed these results using a modified quantitative theory on the activation energy of phase transitions of lipid membranes proposed initially by Squires et al. (Squires, A. M.; Conn, C. E.; Seddon, J. M.; Templer, R. H. Soft Matter 2009, 5, 4773). On the basis of these results, we discuss the mechanism of this phase transition.

  19. Transitional regimes of natural convection in a differentially heated cubical cavity under the effects of wall and molecular gas radiation

    NASA Astrophysics Data System (ADS)

    Soucasse, L.; Rivière, Ph.; Soufiani, A.; Xin, S.; Le Quéré, P.

    2014-02-01

    The transition to unsteadiness and the dynamics of weakly turbulent natural convection, coupled to wall or gas radiation in a differentially heated cubical cavity with adiabatic lateral walls, are studied numerically. The working fluid is air with small contents of water vapor and carbon dioxide whose infrared spectral radiative properties are modelled by the absorption distribution function model. A pseudo spectral Chebyshev collocation method is used to solve the flow field equations and is coupled to a direct ray tracing method for radiation transport. Flow structures are identified by means of either the proper orthogonal decomposition or the dynamic mode decomposition methods. We first retrieve the classical mechanism of transition to unsteadiness without radiation, characterized by counter-rotating streamwise-oriented vortices generated at the exit of the vertical boundary layers. Wall radiation through a transparent medium leads to a homogenization of lateral wall temperatures and the resulting transition mechanism is similar to that obtained with perfectly conducting lateral walls. The transition is due to an unstable stratification upstream the vertical boundary layers and is characterized by periodically oscillating transverse rolls of axis perpendicular to the main flow. When molecular gas radiation is accounted for, no periodic solution is found and the transition to unsteadiness displays complex structures with chimneys-like rolls whose axes are again parallel to the main flow. The origin of this instability is probably due to centrifugal forces, as suggested previously for the case without radiation. Above the transition to unsteadiness, at Ra = 3 × 108, it is shown that both wall and gas radiation significantly intensify turbulent fluctuations, decrease the thermal stratification in the core of the cavity, and increase the global circulation.

  20. Transitional regimes of natural convection in a differentially heated cubical cavity under the effects of wall and molecular gas radiation

    SciTech Connect

    Soucasse, L.; Rivière, Ph.; Soufiani, A.; Xin, S.

    2014-02-15

    The transition to unsteadiness and the dynamics of weakly turbulent natural convection, coupled to wall or gas radiation in a differentially heated cubical cavity with adiabatic lateral walls, are studied numerically. The working fluid is air with small contents of water vapor and carbon dioxide whose infrared spectral radiative properties are modelled by the absorption distribution function model. A pseudo spectral Chebyshev collocation method is used to solve the flow field equations and is coupled to a direct ray tracing method for radiation transport. Flow structures are identified by means of either the proper orthogonal decomposition or the dynamic mode decomposition methods. We first retrieve the classical mechanism of transition to unsteadiness without radiation, characterized by counter-rotating streamwise-oriented vortices generated at the exit of the vertical boundary layers. Wall radiation through a transparent medium leads to a homogenization of lateral wall temperatures and the resulting transition mechanism is similar to that obtained with perfectly conducting lateral walls. The transition is due to an unstable stratification upstream the vertical boundary layers and is characterized by periodically oscillating transverse rolls of axis perpendicular to the main flow. When molecular gas radiation is accounted for, no periodic solution is found and the transition to unsteadiness displays complex structures with chimneys-like rolls whose axes are again parallel to the main flow. The origin of this instability is probably due to centrifugal forces, as suggested previously for the case without radiation. Above the transition to unsteadiness, at Ra = 3 × 10{sup 8}, it is shown that both wall and gas radiation significantly intensify turbulent fluctuations, decrease the thermal stratification in the core of the cavity, and increase the global circulation.

  1. Short- and long-range ordering during the phase transition of the Zn6Sc 1/1 cubic approximant

    NASA Astrophysics Data System (ADS)

    Yamada, Tsunetomo; Euchner, Holger; Pay Gómez, Cesar; Takakura, Hiroyuki; Tamura, Ryuji; de Boissieu, Marc

    2013-05-01

    Using in situ x-ray scattering and synchrotron radiation, we have experimentally elucidated the mechanism of the cubic to monoclinic phase transition in the Zn6Sc 1/1 approximant to an icosahedral quasicrystal. The high-temperature cubic phase is described as a bcc packing of a large Tsai-type icosahedral cluster whose center is occupied by an orientationally disordered Zn4 tetrahedron. A clear monoclinic distortion has been found to take place within 2 K around Tc = 157 K, in excellent agreement with the observed anomalies in the electrical resistivity and heat capacity. Also, a rapid variation of the super-structure reflection intensity is observed. The low-temperature monoclinic phase, as determined by single-crystal x-ray diffraction at 40 K, has been confirmed to consist of ordered Zn4 tetrahedra, oriented in an anti-parallel way along the [\\bar {1}0 1] direction. Above Tc, a diffuse scattering signal is observed at the position of the super-structure reflections, which evidences that a short-range ordering of the Zn4 tetrahedra takes place. In a way similar to a second-order phase transition, the correlation length describing this short-range ordering increases rapidly when the temperature diminishes and almost diverges when the temperature is close to Tc, going from 200 Å at 220 K to reach the very large value of 1200 Å at 161 K. Finally, using single-crystal x-ray diffraction, the atomic structure of the low-temperature monoclinic super-structure (space group C2/c) could be solved. The ordering of the Zn4 tetrahedra is accompanied by a strong distortion of the surrounding shells.

  2. Increased cubic-tetragonal phase transition temperature and resistivity hysteresis of surface vacuum annealed SrTiO3

    NASA Astrophysics Data System (ADS)

    Nestler, Tina; Potzger, Kay; Stöcker, Hartmut; Abendroth, Barbara; Strohmeyer, Ralph; Zierer, Robert; Meyer, Dirk C.

    2011-10-01

    Electrical properties of SrTiO3 single crystal samples treated by an anisotropic surface annealing technique under reducing conditions have been investigated in the temperature range of 35 K-300 K. Optical and atomic force microscopy show that annealing gives rise to polycrystallization and the formation of colored dendritic structures. Carrier concentrations and mobilities determined by Hall measurements as well as resistivities detected by van der Pauw measurements show the expected metallic behavior due to oxygen vacancy doping. Moreover, the temperature dependent resistivities indicate a cubic-to-tetragonal phase transition, which to our knowledge has not been reported before. Additionally, the transition occurred up to 53 K above the known bulk transition temperature T C at 105 K with a hysteresis up to a temperature of 220 K. Both phenomena possibly arise from dislocations and associated strain fields introduced by surface annealing that are assumed to lower the free energy of the tetragonal phase and simultaneously pin tetragonal domains. Thus, microregions of the tetragonal phase persist above T C causing the hysteresis in resistivity up to ˜12%. This effect possibly provides new chances for future oxide based non-volatile data-storage devices.

  3. Optical spectroscopy in turbid media utilizing an integrating sphere: mitochondrial chromophore analysis during metabolic transitions

    PubMed Central

    Chess, David J.; Billings, Eric; Covian, Raúl; Glancy, Brian; French, Stephanie; Taylor, Joni; de Bari, Heather; Murphy, Elizabeth; Balaban, Robert S.

    2013-01-01

    Recent evidence suggests that the activity of mitochondrial oxidative phosphorylation Complexes (MOPC) is modulated at multiple sites. Herein, a method of optically monitoring electron distribution within and between MOPC is described using a center-mounted sample in an integrating sphere (to minimize scattering effects) with a rapid-scanning spectrometer. The redox-sensitive MOPC absorbances (~465 to 630 nm) were modeled using linear least squares analysis with individual chromophore spectra. Classical mitochondrial activity transitions (e.g., ADP-induced increase in oxygen consumption) were used to characterize this approach. Most notable in these studies was the observation that intermediates of the catalytic cycle of cytochrome oxidase are dynamically modulated with metabolic state. The MOPC redox state, along with measurements of oxygen consumption and mitochondrial membrane potential, was used to evaluate the conductances of different sections of the electron transport chain. This analysis then was applied to mitochondria isolated from rabbit hearts subjected to ischemia-reperfusion (I/R). Surprisingly, I/R resulted in an inhibition of all measured MOPC conductances, suggesting a coordinated down-regulation of mitochondrial activity with this well-established cardiac perturbation. PMID:23665273

  4. A Continuous Time Random Walk Description of Monodisperse, Hard-Sphere Colloids below the Ordering Transition

    NASA Astrophysics Data System (ADS)

    Lechman, Jeremy; Pierce, Flint

    2012-02-01

    Diffusive transport is a ubiquitous process that is typically understood in terms of a classical random walk of non-interacting particles. Here we present the results for a model of hard-sphere colloids in a Newtonian incompressible solvent at various volume fractions below the ordering transition (˜50%). We numerically simulate the colloidal systems via Fast Lubrication Dynamics -- a Brownian Dynamics approach with corrected mean-field hydrodynamic interactions. Colloid-colloid interactions are also included so that we effectively solve a system of interacting Langevin equations. The results of the simulations are analyzed in terms of the diffusion coefficient as a function of time with the early and late time diffusion coefficients comparing well with experimental results. An interpretation of the full time dependent behavior of the diffusion coefficient and mean-squared displacement is given in terms of a continuous time random walk. Therefore, the deterministic, continuum diffusion equation which arises from the discrete, interacting random walkers is presented. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

  5. Stacking of Short DNA Induces the Gyroid Cubic-to-Inverted Hexagonal Phase Transition in Lipid–DNA Complexes

    PubMed Central

    Leal, Cecília; Ewert, Kai K.; Bouxsein, Nathan F.; Shirazi, Rahau S.; Li, Youli; Safinya, Cyrus R.

    2012-01-01

    Lyotropic phases of amphiphiles are a prototypical example of self-assemblies. Their structure is generally determined by amphiphile shape and their phase transitions are primarily governed by composition. In this paper, we demonstrate a new paradigm for membrane shape control where the electrostatic coupling of charged membranes to short DNA (sDNA), with tunable temperature-dependent end-to-end stacking interactions, enables switching between the inverted gyroid cubic structure (QIIG) and the inverted hexagonal phase (HIIC). We investigated the structural shape transitions induced in the QIIG phase upon complexation with a series of sDNAs (5, 11, 24, and 48 bp) with three types of end structure (“sticky” adenine (A)–thymine (T) (dAdT) overhangs, no overhang (blunt), and “nonsticky” dTdT overhangs) using synchrotron small-angle X-ray scattering. Very short 5 bp sDNA with dAdT overhangs and blunt ends induce coexistence of the QIIG and the HIIC phase, with the fraction of QIIG increasing with temperature. Phase coexistence for blunt 5 bp sDNA is observed from 27 °C to about 65 °C, where the HIIC phase disappears and the temperature dependence of the lattice spacing of the QIIG phase indicates that the sDNA duplexes melt into single strands. The only other sDNA for which melting is observed is 5 bp sDNA with dTdT overhangs, which forms the QIIG phase throughout the studied range of temperature (27 °C to 85.2 °C). The longer 11 bp sDNA forms coexisting QIIG and HIIC phases (with the fraction of QIIG again increasing with temperature) only for “nonsticky” dTdT overhangs, while dAdT overhangs and blunt ends exclusively template the HIIC phase. For 24 and 48 bp sDNAs the HIIC phase replaces the QIIG phase at all investigated temperatures, independent of sDNA end structure. Our work demonstrates how the combined effects of sDNA length and end structure (which determine the temperature-dependent stacking length) tune the phase behavior of the complexes

  6. Temperature dependence of the damping constant and the relaxation time close to the tetragonal-cubic phase transition in SrZrO3

    NASA Astrophysics Data System (ADS)

    Yurtseven, H.; Kiraci, A.

    2017-01-01

    The damping constant Γsp due to the pseudospin-phonon coupling is calculated as a function of temperature using the pseudospin-phonon coupled model and the energy fluctuation model close to the tetragonal-cubic transition (TC = 1443 K) in SrZrO3. Using the observed Raman frequencies and the linewidth (FWHM) of the soft modes (Eg and A1g) from the literature, predictions of both models studied, are examined for the tetragonal-cubic transition in this crystalline system. Values of the activation energy U are extracted and also the inverse relaxation time is predicted as a function of temperature close to the phase transition studied in SrZrO3. Divergence behaviour of the damping constant (FWHM) of the soft modes is predicted from both models as also observed experimentally when TC is approached from the tetragonal to the cubic phase in SrZrO3. The relaxation time also diverges close to the TC in this crystal. It is indicated that the tetragonal-cubic transition is of a second order as predicted from both models studied here, as also observed experimentally in SrZrO3.

  7. Bismuth doping strategies in GeTe nanowires to promote high-temperature phase transition from rhombohedral to face-centered cubic structure

    SciTech Connect

    Zhang, Jie; Huang, Rong; Wei, Fenfen; Cheng, Guosheng; Kong, Tao

    2014-11-17

    The phase transition of Bi-doped (∼3 at. %) GeTe nanowires from a rhombohedral (R) to a face-centered cubic (C) structure was observed in in situ high-temperature X-ray diffraction. The promotion of high-temperature R-C phase transition by a doping approach was revealed. Ab initio energy calculations of doped GeTe at various Bi doping concentrations were performed to interpret the promoted temperature-induced phase transitions. Those results indicated that the total energy differences between R and C structures of doped GeTe decreased as Bi doping concentrations increased, which facilitated R-C phase transitions.

  8. Interplay between cubic and hexagonal phases in block copolymer solutions.

    PubMed

    Park, Moon Jeong; Char, Kookheon; Bang, Joona; Lodge, Timothy P

    2005-02-15

    The phase behavior of a symmetric styrene-isoprene (SI) diblock copolymer in a styrene-selective solvent, diethylphthalate, was investigated by in situ small-angle X-ray scattering on isotropic and shear-oriented solutions and by rheology and birefringence. A remarkable new feature in this phase diagram is the coexistence of both body-centered cubic (bcc) and hexagonally close-packed (hcp) sphere phases, in a region between close-packed spheres (cps) and hexagonally packed cylinders (hex) over the concentration range phi approximately 0.33-0.45. By focusing on the transitions among these various ordered phases during heating and cooling cycles, we observed a strong hysteresis: supercooled cylinders persisted upon cooling. The stability of these supercooled cylinders is quite dependent on concentration, and for phi > or = 0.40, the supercooled cylinders do not revert to spheres even after quiescent annealing for 1 month. The spontaneous formation of spheres due to the dissociation of cylinders is kinetically hindered in this case, and the system is apparently not amenable to any pretransitional fluctuations of cylinders prior to the cylinder-to-sphere transition. This contrasts with the case of cylinders transforming to spheres upon heating in the melt. The application of large amplitude shear to the supercooled cylinders is effective in restoring the equilibrium sphere phases.

  9. The effect of disorder in Ba{sub 2}YTaO{sub 6} on the tetragonal to cubic phase transition

    SciTech Connect

    Zhou, Qingdi; Kennedy, Brendan J.; Kimpton, Justin A.

    2011-04-15

    Synchrotron X-ray diffraction and Raman spectroscopy have been used to study the structure of the complex perovskite Ba{sub 2}YTaO{sub 6}, at temperatures down to 100 K. Where the Ta and Y cations exhibit long-range rock-salt like ordering, Ba{sub 2}YTaO{sub 6} displays a continuous phase transition from a high temperature cubic structure, described in space group Fm3-bar m, to a tetragonal, I4/m, structure near 260 K. This transition is inhibited if extensive disorder and/or vacancies are/is present in the sample. -- Graphical abstract: The tetragonal-cubic phase transition observed in the cation ordered double perovskite Ba{sub 2}YTaO{sub 6} is inhibited when these are disordered. Display Omitted Highlights: {yields} Double perovskite Ba{sub 2}YTaO{sub 6} characterised by XRD and Raman spectroscopy. {yields} Cubic-tetragonal transition in Ba{sub 2}YTaO{sub 6} studied. {yields} Impact of disorder on the structure and phase transitions established.

  10. Packing of crystalline structures of binary hard spheres: An analytical approach and application to amorphization

    NASA Astrophysics Data System (ADS)

    Brouwers, H. J. H.

    2007-10-01

    The geometrical stability of the three lattices of the cubic crystal system, viz. face-centered cubic (fcc), body-centered cubic (bcc), and simple cubic (sc), consisting of bimodal discrete hard spheres, and the transition to amorphous packing is studied. First, the random close packing (rcp) fraction of binary mixtures of amorphously packed spheres is recapitulated. Next, the packing of a binary mixture of hard spheres in randomly disordered cubic structures is analyzed, resulting in original analytical expressions for the unit cell volume and the packing fraction, and which are also valid for the other five crystal systems. The bimodal fcc lattice parameter appears to be in close agreement with empirical hard sphere data from literature, and this parameter could be used to distinguish the size mismatch effect from all other effects in distorted binary lattices of materials. Here, as a first model application, bimodal amorphous and crystalline fcc/bcc packing fractions are combined, yielding the optimum packing configuration, which depends on mixture composition and diameter ratio only. Maps of the closest packing mode are established and applied to colloidal mixtures of polydisperse spheres and to binary alloys of bcc, fcc, and hcp metals. The extensive comparison between the analytical expressions derived here and the published numerical and empirical data yields good agreement. Hence, it is seen that basic space-filling theories on “simple” noninteracting hard spheres are a valuable tool for the study of crystalline materials.

  11. Packing of crystalline structures of binary hard spheres: an analytical approach and application to amorphization.

    PubMed

    Brouwers, H J H

    2007-10-01

    The geometrical stability of the three lattices of the cubic crystal system, viz. face-centered cubic (fcc), body-centered cubic (bcc), and simple cubic (sc), consisting of bimodal discrete hard spheres, and the transition to amorphous packing is studied. First, the random close packing (rcp) fraction of binary mixtures of amorphously packed spheres is recapitulated. Next, the packing of a binary mixture of hard spheres in randomly disordered cubic structures is analyzed, resulting in original analytical expressions for the unit cell volume and the packing fraction, and which are also valid for the other five crystal systems. The bimodal fcc lattice parameter appears to be in close agreement with empirical hard sphere data from literature, and this parameter could be used to distinguish the size mismatch effect from all other effects in distorted binary lattices of materials. Here, as a first model application, bimodal amorphous and crystalline fcc/bcc packing fractions are combined, yielding the optimum packing configuration, which depends on mixture composition and diameter ratio only. Maps of the closest packing mode are established and applied to colloidal mixtures of polydisperse spheres and to binary alloys of bcc, fcc, and hcp metals. The extensive comparison between the analytical expressions derived here and the published numerical and empirical data yields good agreement. Hence, it is seen that basic space-filling theories on "simple" noninteracting hard spheres are a valuable tool for the study of crystalline materials.

  12. The Widom-Rowlinson mixture on a sphere: elimination of exponential slowing down at first-order phase transitions.

    PubMed

    Fischer, T; Vink, R L C

    2010-03-17

    Computer simulations of first-order phase transitions using 'standard' toroidal boundary conditions are generally hampered by exponential slowing down. This is partly due to interface formation, and partly due to shape transitions. The latter occur when droplets become large such that they self-interact through the periodic boundaries. On a spherical simulation topology, however, shape transitions are absent. We expect that by using an appropriate bias function, exponential slowing down can be largely eliminated. In this work, these ideas are applied to the two-dimensional Widom-Rowlinson mixture confined to the surface of a sphere. Indeed, on the sphere, we find that the number of Monte Carlo steps needed to sample a first-order phase transition does not increase exponentially with system size, but rather as a power law τ α V(α), with α≈2.5, and V the system area. This is remarkably close to a random walk for which α(RW) = 2. The benefit of this improved scaling behavior for biased sampling methods, such as the Wang-Landau algorithm, is investigated in detail.

  13. Language, Literacy, and Nationalism: Taiwan's Orthographic Transition from the Perspective of Han Sphere

    ERIC Educational Resources Information Center

    Chiung, Wi-vun Taiffalo

    2007-01-01

    The Han sphere, including Vietnam, Korea, Japan, Taiwan and China, adopted Han characters and classical Han writing as the official written language before the 20th century. However, great changes came with the advent of the 20th century. After World War II, Han characters in Vietnam and Korea were officially replaced by the romanised "Chu…

  14. Apparent viscosity and particle pressure of a concentrated suspension of non-Brownian hard spheres near the jamming transition.

    PubMed

    Mills, P; Snabre, P

    2009-11-01

    We consider the steady shear flow of a homogeneous and dense assembly of hard spheres suspended in a Newtonian viscous fluid. In a first part, a mean-field approach based on geometric arguments is used to determine the viscous dissipation in a dense isotropic suspension of smooth hard spheres and the hydrodynamic contribution to the suspension viscosity. In a second part, we consider the coexistence of transient solid clusters coupled to regions with free flowing particles near the jamming transition. The fraction of particles in transient clusters is derived through the Landau-Ginzburg concepts for first-order phase transition with an order parameter corresponding to the proportion of "solid" contacts. A state equation for the fraction of particle-accessible volume is introduced to derive the average normal stresses and a constitutive law that relates the total shear stress to the shear rate. The analytical expression of the average normal stresses well accounts for numerical or experimental evaluation of the particle pressure and non-equilibrium osmotic pressure in a dense sheared suspension. Both the friction level between particles and the suspension dilatancy are shown to determine the singularity of the apparent shear viscosity and the flow stability near the jamming transition. The model further predicts a Newtonian behavior for a concentrated suspension of neutrally buoyant particles and no shear thinning behavior in relation with the shear liquefaction of transient solid clusters.

  15. Stopped-flow kinetic studies of sphere-to-rod transitions of sodium alkyl sulfate micelles induced by hydrotropic salt.

    PubMed

    Zhang, Jingyan; Ge, Zhishen; Jiang, Xiaoze; Hassan, P A; Liu, Shiyong

    2007-12-15

    The kinetics and mechanism of sphere-to-rod transitions of sodium alkyl sulfate micelles induced by hydrotropic salt, p-toluidine hydrochloride (PTHC), were investigated by stopped-flow with light scattering detection. Spherical sodium dodecyl sulfate (SDS) micelles transform into short ellipsoidal shapes at low salt concentrations ([PTHC]/[SDS], chi(PTHC)=0.3 and 0.4). Upon stopped-flow mixing aqueous solutions of spherical SDS micelles with PTHC, the scattered light intensity gradually increases with time. Single exponential fitting of the dynamic traces leads to characteristic relaxation time, tau(g), for the growth process from spherical to ellipsoidal micelles, and it increases with increasing SDS concentrations. This suggests that ellipsoidal micelles might be produced by successive insertion of unimers into spherical micelles, similar to the case of formation of spherical micelles as suggested by Aniansson-Wall (A-W) theory. At chi(PTHC) > or = 0.5, rod-like micelles with much higher axial ratio form. The scattered light intensity exhibits an initially abrupt increase and then levels off. The dynamic curves can be well fitted with single exponential functions, and the obtained tau(g) decreases with increasing SDS concentration. Thus, the growth from spherical to rod-like micelles might proceed via fusion of spherical micelles, in agreement with mechanism proposed by Ikeda et al. At chi(PTHC)=0.3 and 0.6, the apparent activation energies obtained from temperature dependent kinetic studies for the micellar growth are 40.4 and 3.6 kJ/mol, respectively. The large differences between activation energies for the growth from spherical to ellipsoidal micelles at low chi(PTHC) and the sphere-to-rod transition at high chi(PTHC) further indicate that they should follow different mechanisms. Moreover, the sphere-to-rod transition kinetics of sodium alkyl sulfate with varying hydrophobic chain lengths (n=10, 12, 14, and 16) are also studied. The longer the carbon chain

  16. Phase transitions in the antiferromagnetic Ising model on a body-centered cubic lattice with interactions between next-to-nearest neighbors

    SciTech Connect

    Murtazaev, A. K.; Ramazanov, M. K.; Kassan-Ogly, F. A.; Kurbanova, D. R.

    2015-01-15

    Phase transitions in the antiferromagnetic Ising model on a body-centered cubic lattice are studied on the basis of the replica algorithm by the Monte Carlo method and histogram analysis taking into account the interaction of next-to-nearest neighbors. The phase diagram of the dependence of the critical temperature on the intensity of interaction of the next-to-nearest neighbors is constructed. It is found that a second-order phase transition is realized in this model in the investigated interval of the intensities of interaction of next-to-nearest neighbors.

  17. Monte Carlo simulations of the solid-liquid transition in hard spheres and colloid-polymer mixtures.

    PubMed

    Zykova-Timan, T; Horbach, J; Binder, K

    2010-07-07

    Monte Carlo simulations at constant pressure are performed to study coexistence and interfacial properties of the liquid-solid transition in hard spheres and in colloid-polymer mixtures. The latter system is described as a one-component Asakura-Oosawa (AO) model where the polymer's degrees of freedom are incorporated via an attractive part in the effective potential for the colloid-colloid interactions. For the considered AO model, the polymer reservoir packing fraction is eta(p) (r)=0.1 and the colloid-polymer size ratio is q[triple bond]sigma(p)/sigma=0.15 (with sigma(p) and sigma as the diameter of polymers and colloids, respectively). Inhomogeneous solid-liquid systems are prepared by placing the solid fcc phase in the middle of a rectangular simulation box, creating two interfaces with the adjoined bulk liquid. By analyzing the growth of the crystalline region at various pressures and for different system sizes, the coexistence pressure p(co) is obtained, yielding p(co)=11.576 k(B)T/sigma(3) for the hard-sphere system and p(co)=8.00 k(B)T/sigma(3) for the AO model (with k(B) as the Boltzmann constant and T as the temperature). Several order parameters are introduced to distinguish between solid and liquid phases and to describe the interfacial properties. From the capillary-wave broadening of the solid-liquid interface, the interfacial stiffness is obtained for the (100) crystalline plane, giving the values gamma approximately 0.49 k(B)T/sigma(2) for the hard-sphere system and gamma approximately 0.95 k(B)T/sigma(2) for the AO model.

  18. Monte Carlo simulations of the solid-liquid transition in hard spheres and colloid-polymer mixtures

    NASA Astrophysics Data System (ADS)

    Zykova-Timan, T.; Horbach, J.; Binder, K.

    2010-07-01

    Monte Carlo simulations at constant pressure are performed to study coexistence and interfacial properties of the liquid-solid transition in hard spheres and in colloid-polymer mixtures. The latter system is described as a one-component Asakura-Oosawa (AO) model where the polymer's degrees of freedom are incorporated via an attractive part in the effective potential for the colloid-colloid interactions. For the considered AO model, the polymer reservoir packing fraction is ηpr=0.1 and the colloid-polymer size ratio is q ≡σp/σ=0.15 (with σp and σ as the diameter of polymers and colloids, respectively). Inhomogeneous solid-liquid systems are prepared by placing the solid fcc phase in the middle of a rectangular simulation box, creating two interfaces with the adjoined bulk liquid. By analyzing the growth of the crystalline region at various pressures and for different system sizes, the coexistence pressure pco is obtained, yielding pco=11.576 kBT/σ3 for the hard-sphere system and pco=8.00 kBT/σ3 for the AO model (with kB as the Boltzmann constant and T as the temperature). Several order parameters are introduced to distinguish between solid and liquid phases and to describe the interfacial properties. From the capillary-wave broadening of the solid-liquid interface, the interfacial stiffness is obtained for the (100) crystalline plane, giving the values γ˜≈0.49 kBT/σ2 for the hard-sphere system and γ˜≈0.95 kBT/σ2 for the AO model.

  19. Ab initio studies on phase transition, thermoelastic, superconducting and thermodynamic properties of the compressed cubic phase of AlH3

    NASA Astrophysics Data System (ADS)

    Wei, Yong-Kai; Ge, Ni-Na; Chen, Xiang-Rong; Ji, Guang-Fu; Cai, Ling-Cang; Gu, Zhuo-Wei

    2014-03-01

    The phase transition, thermoelastic, lattice dynamic, and thermodynamic properties of the cubic metallic phase AlH3 were obtained within the density-function perturbation theory. The calculated elastic modulus and phonon dispersion curves under various pressures at 0 K indicate the cubic phase is both mechanically and dynamically stable above 73 GPa. The superconducting transition temperature Tc was calculated using the Allen-Dynes modification of the McMillan formula based on BCS theory. The calculations show that Tc for the cubic phase AlH3 is 8.5 K (μ*=0.1) at the onset of this phase (73 GPa), while decreases to 5.7 K at 80 GPa and almost disappears at 110 GPa, consisting with experimental phenomenon that there was no superconducting transition observed down to 4 K over a wide pressure range 110-164 GPa. It is found that the soft phonon mode for branch 1, namely, the lowest acoustic mode, plays a crucial role in elevating the total EPC parameter λ of cubic AlH3. And the evolution of Tc with pressure follows the corresponding change of this soft mode, i.e. this mode is responsible for the disappearance of Tc in experiments. Meanwhile, the softening of this lowest acoustic mode originates from the electronic momentum transfer from M to R point. This phenomenon provides an important insight into why drastic changes in the diffraction pattern were observed in the pressure range of 63-73 GPa in Goncharenko's experiments. Specifically, once finite electronic temperature effects are included, we find that dynamical instabilities can be removed in the phonon dispersion for P ≥63 GPa, rendering the metastability of this phase in the range of 63-73 GPa, and Tc (15.4 K) becomes remarkably high under the lowest possible pressure (63 GPa) compared with that of under 73 GPa (8.5 K). Our calculations open the possibility that finite temperature may allow cubic AlH3 to be dynamically stabilized even for pressures below 73 GPa. It is reasonable to deduced that if special

  20. Topology trivialization transition in random non-gradient autonomous ODEs on a sphere

    NASA Astrophysics Data System (ADS)

    Fyodorov, Y. V.

    2016-12-01

    We calculate the mean total number of equilibrium points in a system of N random autonomous ODEs introduced by Cugliandolo et al [17] to describe non-relaxational glassy dynamics on the high-dimensional sphere. In doing it we suggest a new approach which allows such a calculation to be done most straightforwardly, and is based on efficiently incorporating the Langrange multiplier into the Kac-Rice framework. Analysing the asymptotic behaviour for large N we confirm that the phenomenon of ‘topology trivialization’ revealed earlier for other systems holds also in the present framework with nonrelaxational dynamics. Namely, by increasing the variance of the random ‘magnetic field’ term in dynamical equations we find a ‘phase transition’ from the exponentially abundant number of equilibria down to just two equilibria. Classifying the equilibria in the nontrivial phase by stability remains an open problem.

  1. Virial coefficients, thermodynamic properties, and fluid-fluid transition of nonadditive hard-sphere mixtures

    NASA Astrophysics Data System (ADS)

    Santos, Andrés; López de Haro, Mariano; Yuste, Santos B.

    2010-05-01

    Different theoretical approaches for the thermodynamic properties and the equation of state for multicomponent mixtures of nonadditive hard spheres in d dimensions are presented in a unified way. These include the theory by Hamad, our previous formulation, the original MIX1 theory, a recently proposed modified MIX1 theory, as well as a nonlinear extension of the MIX1 theory proposed in this paper. Explicit expressions for the compressibility factor, Helmholtz free energy, and second, third, and fourth virial coefficients are provided. A comparison is carried out with recent Monte Carlo data for the virial coefficients of asymmetric mixtures and with available simulation data for the compressibility factor, the critical consolute point, and the liquid-liquid coexistence curves. The merits and limitations of each theory are pointed out.

  2. Evidence for a cubic-to-icosahedral transition of quasi-free Pd-H-clusters controlled by the hydrogen content . On the phase transitions in Pd-H-clusters

    NASA Astrophysics Data System (ADS)

    Pundt, A.; Dornheim, M.; Guerdane, M.; Teichler, H.; Ehrenberg, H.; Reetz, M. T.; Jisrawi, N. M.

    2002-06-01

    An in situ synchrotron radiation study of quasi-free five nanometer-sized palladium clusters during hydrogen absorption is combined with molecular dynamics simulations to investigate the structural development. In the diffraction patterns, strong intensity changes are found that provide evidence for a structural phase transformation that is significantly different from the α α' Pd H bulk phase transition. The structural transition is reversible and driven by the hydrogen concentration. The intensity changes are consistent with a cubic-to-icosahedral structural phase transition obtained in molecular dynamical simulations using embedded-atom-method potentials.

  3. Thermodynamic properties of lattice hard-sphere models.

    PubMed

    Panagiotopoulos, A Z

    2005-09-08

    Thermodynamic properties of several lattice hard-sphere models were obtained from grand canonical histogram- reweighting Monte Carlo simulations. Sphere centers occupy positions on a simple cubic lattice of unit spacing and exclude neighboring sites up to a distance sigma. The nearestneighbor exclusion model, sigma = radical2, was previously found to have a second-order transition. Models with integer values of sigma = 1 or 2 do not have any transitions. Models with sigma = radical3 and sigma = 3 have weak first-order fluid-solid transitions while those with sigma = 2 radical2, 2 radical3, and 3 radical2 have strong fluid-solid transitions. Pressure, chemical potential, and density are reported for all models and compared to the results for the continuum, theoretical predictions, and prior simulations when available.

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

    SciTech Connect

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

    2014-03-28

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

  5. Entropically dirven phase transitions in mixtures of colloidal rods and spheres.

    NASA Astrophysics Data System (ADS)

    Fraden, Seth

    2001-03-01

    We have prepared a homologous series of filamentous viruses with varying contour length using molecular cloning techniques. These viruses are monodisperse enough to form a stable smectic phase. Two systems are studied. The first system consists of viruses to which polymers are covalently attached to the virus surface. Through studies of the isotropic - cholesteric phase transition we demonstrate that covalently attached polymers alter the effective diameter of the virus and we have produced mixtures of viruses whose ratio of effective diameters varies by a factor of five. The second system is composed of mixtures of rod-like viruses and non-absorbing polymers. With this system we study the kinetics of the isotropic - smectic phase transition and describe observations of a number of novel metastable structures of unexpected complexity. Preprints are available online at www.elsie.brandeis.edu and at http://xxx.lanl.gov/abs/cond-mat/0010269.

  6. Phase behavior of polydisperse spheres: simulation strategies and an application to the freezing transition.

    PubMed

    Wilding, Nigel B; Sollich, Peter

    2010-12-14

    The statistical mechanics of phase transitions in dense systems of polydisperse particles presents distinctive challenges to computer simulation and analytical theory alike. The core difficulty, namely, dealing correctly with particle size fractionation between coexisting phases, is set out in the context of a critique of previous simulation work on such systems. Specialized Monte Carlo simulation techniques and moment free energy method calculations, capable of treating fractionation exactly, are then described and deployed to study the fluid-solid transition of an assembly of repulsive spherical particles described by a top-hat "parent" distribution of particle sizes. The cloud curve delineating the solid-fluid coexistence region is mapped as a function of the degree of polydispersity δ, and the properties of the incipient "shadow" phases are presented. The coexistence region is found to shift to higher densities as δ increases, but does not exhibit the sharp narrowing predicted by many theories and some simulations.

  7. Phase diagram of Hertzian spheres

    NASA Astrophysics Data System (ADS)

    Pàmies, Josep C.; Cacciuto, Angelo; Frenkel, Daan

    2009-07-01

    We report the phase diagram of interpenetrating Hertzian spheres. The Hertz potential is purely repulsive, bounded at zero separation, and decreases monotonically as a power law with exponent 5/2, vanishing at the overlapping threshold. This simple functional describes the elastic interaction of weakly deformable bodies and, therefore, it is a reliable physical model of soft macromolecules, like star polymers and globular micelles. Using thermodynamic integration and extensive Monte Carlo simulations, we computed accurate free energies of the fluid phase and a large number of crystal structures. For this, we defined a general primitive unit cell that allows for the simulation of any lattice. We found multiple re-entrant melting and first-order transitions between crystals with cubic, trigonal, tetragonal, and hexagonal symmetries.

  8. Targeting Epithelial-Mesenchymal Transition for Identification of Inhibitors for Pancreatic Cancer Cell Invasion and Tumor Spheres Formation

    PubMed Central

    Polireddy, Kishore; Dong, Ruochen; McDonald, Peter R.; Wang, Tao; Luke, Brendan; Chen, Ping; Broward, Melinda; Roy, Anuradha; Chen, Qi

    2016-01-01

    Background Pancreatic cancer has an enrichment of stem-like cancer cells (CSCs) that contribute to chemoresistant tumors prone to metastasis and recurrence. Drug screening assays based on cytotoxicity cannot identify specific CSC inhibitors, because CSCs comprise only a small portion of cancer cell population, and it is difficult to propagate stable CSC populations in vitro for high-throughput screening (HTS) assays. Based on the important role of cancer cell epithelial-to-mesenchymal transition (EMT) in promoting CSCs, we hypothesized that inhibition of EMT can be a useful strategy for inhibiting CSCs, and therefore a feasible approach for HTS can be built for identification of CSC inhibitors, based on assays detecting EMT inhibition. Methods An immunofluorescent assay was established and optimized for HTS to identify compounds that enhance E-cadherin expression, as a hallmark of inhibition of EMT. Four chemical libraries containing 41,472 compounds were screened in PANC-1 pancreatic cancer cell line. Positive hits were validated for EMT and CSC inhibition in vitro using sphere formation assay, western blotting, immune fluorescence, and scratch assay. Results Initial hits were refined to 73 compounds with a secondary screening, among which 17 exhibited concentration dependent induction of E-cadherin expression. Six compounds were selected for further study which belonged to 2 different chemical structural clusters. A novel compound 1-(benzylsulfonyl) indoline (BSI, Compound #38) significantly inhibited pancreatic cancer cell migration and invasion. BSI inhibited histone deacetylase, increased histone 4 acetylation preferably, resulting in E-cadherin up-regulation. BSI effectively inhibited tumor spheres formation. Six more analogues of BSI were tested for anti-migration and anti-CSC activities. Conclusion This study demonstrated a feasible approach for discovery of agents targeting EMT and CSCs using HTS, and identified a class of novel chemicals that could be

  9. Cubic and Rhombohedral Heterobimetallic Networks Constructed from Uranium, Transition Metals, and Phosphonoacetate. New Methods for Constructing Porous Materials

    SciTech Connect

    Alsobrook, Andera N.; Hauser, B. G.; Hupp, Joseph T.; Alekseev, Evgeny V.; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.

    2010-11-01

    Four heterobimetallic U(VI)/M(II) (M = Mn, Co, Cd) carboxyphosphonates have been synthesized. M2[(UO2)6(PO3CH2CO2)3O3(OH)(H2O)2]·16H2O (M = Mn(II), Co(II), and Cd(II)) adopt cubic three-dimensional network structures with large cavities approximately 16 Å in diameter that are filled with co-crystallized water molecules. [Cd3(UO2)6(PO3CH2CO2)6(H2O)13]·6H2 O forms a rhombohedral channel structure with hydrated Cd(II) within the channels. The cubic compound (Co) displays differential gas absorption with a surface area for CO2 uptake of 40 m2 g-1 at 273 K, and no uptake of N2 at 77 K.

  10. Tracking the amorphous to epitaxial transition in RF-sputtered cubic BFO-STO heterojunctions by means of X-ray photoelectron diffraction

    NASA Astrophysics Data System (ADS)

    Giampietri, Alessio; Drera, Giovanni; Píš, Igor; Magnano, Elena; Sangaletti, Luigi

    2016-09-01

    The epitaxial growth of cubic BiFeO3 ultrathin films on SrTiO3 (001) substrates by off-axis RF sputtering is demonstrated, suitable to X-ray spectroscopies interface investigation. X-ray photoelectron diffraction is used as a tool to probe the long-range crystal order and to track the transition from amorphous to epitaxial growth as a function of deposition parameters. Further spectroscopic measurements, in particular, X-ray linear dichroism on the Fe L 3 , 2 edge, confirm the heteroepitaxial growth of BiFeO3 and clearly indicate a 3+ valence state for the iron cation. Finally, XPS is used to reconstruct the band alignment diagram, which results in a staggered configuration with a remarkable energy shift of the SrTiO3 band edges which can ultimately favor the n-type doping of SrTiO3.

  11. Abnormal cubic-tetragonal phase transition of barium strontium titanate nanoparticles studied by in situ Raman spectroscopy and transmission electron microscopy heating experiments

    SciTech Connect

    Zhang, Yin; Chen, Chen; Gao, Ran; Xia, Feng; Li, YueSheng; Che, Renchao

    2015-11-02

    Phase stability of the ferroelectric materials at high temperature is extremely important to their device performance. Ba{sub x}Sr{sub 1−x}TiO{sub 3} (BST) nanoparticles with different Sr contents (x = 1, 0.91, 0.65, 0.4, and 0) are prepared by a facile hydrothermal method. Using Raman spectroscopy and transmission electron microscopy (TEM) analyses under in situ heating conditions (up to 300 °C), the phase transitions of BST nanoparticles between 25 °C and 280 °C are comprehensively investigated. The original Curie temperature of BST nanoparticles decreases abruptly with the increase in Sr content, which is more obvious than in the bulk or film material. Besides, an abnormal phase transition from cubic to tetragonal structure is observed from BST nanoparticles and the transition temperature rises along with the increase in Sr content. Direct TEM evidences including a slight lattice distortion have been provided. Differently, BaTiO{sub 3} nanoparticles remained in the tetragonal phase during the above temperature ranges.

  12. Discovery of a Frank-Kasper sigma phase in sphere-forming block copolymer melts.

    PubMed

    Lee, Sangwoo; Bluemle, Michael J; Bates, Frank S

    2010-10-15

    Sphere-forming block copolymers are known to self-assemble into body-centered cubic crystals near the order-disorder transition temperature. Small-angle x-ray scattering and transmission electron microscopy experiments on diblock and tetrablock copolymer melts have revealed an equilibrium phase characterized by a large tetragonal unit cell containing 30 microphase-separated spheres. This structure, referred to as the sigma (σ) phase by Frank and Kasper more than 50 years ago, nucleates and grows from the body-centered cubic phase similar to its occurrence in metal alloys and is a crystal approximant to dodecagonal quasicrystals. Formation of the σ phase in undiluted linear block copolymers (and certain branched dendrimers) appears to be mediated by macromolecular packing frustration, an entropic contribution to the interparticle interactions that control the sphere-packing geometry.

  13. Incorporation of indium on cubic GaN epitaxially induced on a nanofaceted Si(001) substrate by phase transition

    NASA Astrophysics Data System (ADS)

    Lee, S. C.; Youngblood, N.; Jiang, Y. B.; Peterson, E. J.; Stark, C. J. M.; Detchprohm, T.; Wetzel, C.; Brueck, S. R. J.

    2015-12-01

    The incorporation of In on the non-polar, piezoelectric-free (001) facet of cubic (c-) GaN epitaxially grown over a Si(001) substrate by metal-organic vapor phase epitaxy is reported. Relying on a hexagonal (h-) to c-phase transformation during epitaxy on an 800 nm-wide, Si(111)-faceted v-groove patterned into the substrate, the GaN epilayer at cross sectional view retains a triangular c-phase inside a chevron-shaped h-phase that results in a top surface bounded by a (001) facet parallel to Si(001) at the center and ( 1 1 ¯ 01 ) facets at both edges. A stack of five, ˜3 nm-thick, InxGa1-xN/GaN quantum wells (QWs) was deposited on the double-phased top surface. The c-phase region up to the QWs keeps extremely small misfit (˜0.002) to the fully relaxed h-GaN underneath it and is in tensile stress implying undefected by the h-c phase interface. The In incorporation on a strained non-polar (001) of c-GaN is comparable with that on totally relaxed semi-polar ( 1 1 ¯ 01 ) of h-GaN without noticeable adatom migration across the phase boundary, and sufficient to provide the room-temperature green emission at 496 nm from the c-InxGa1-xN/GaN QWs on Si(001) in photoluminescence.

  14. Avalanche criticalities and elastic and calorimetric anomalies of the transition from cubic Cu-Al-Ni to a mixture of 18 R and 2 H structures

    NASA Astrophysics Data System (ADS)

    Vives, Eduard; Baró, Jordi; Gallardo, María Carmen; Martín-Olalla, José-María; Romero, Francisco Javier; Driver, Sarah L.; Carpenter, Michael A.; Salje, Ekhard K. H.; Stipcich, Marcelo; Romero, Ricardo; Planes, Antoni

    2016-07-01

    We studied the two-step martensitic transition of a Cu-Al-Ni shape-memory alloy by calorimetry, acoustic emission (AE), and resonant ultrasound spectroscopy (RUS) measurements. The transition occurs under cooling from the cubic (β , F m 3 m ) parent phase near 242 K to a mixture of orthorhombic 2 H and monoclinic 18 R phases. Heating leads first to the back transformation of small 18 R domains to β and/or 2 H near 255 K, and then to the transformation 2 H to β near 280 K. The total transformation enthalpy is Δ HT=328 ±10 J/mol and is observed as one large latent heat peak under cooling. The back-transformation entropy under heating breaks down into a large component 18 R to β at 255 K and a smaller, smeared component of the transformation 2 H to β near 280 K. The proportions inside the phase mixture depend on the thermal history of the sample. The elastic response of the sample is dominated by large elastic softening during cooling. The weakening of the elastic shear modulus shows a peak at 242 K, which is typical for the formation of complex microstructures. Cooling the sample further leads to additional changes of the microstructure and domain wall freezing, which is seen by gradual elastic hardening and increasing damping of the RUS signal. Heating from 220 K to room temperature leads to elastic anomalies due to the initial transformation, which is now shifted to high temperatures. The transition is smeared over a wider temperature interval and shows strong elastic damping. The shear modulus of the cubic phase is recovered at 280 K. The phase transformation leads to avalanches, which were recorded by AE and by time-resolved calorimetry. The cooling transition shows very extended avalanche signals in calorimetry with power-law distributions. Cooling and heating runs show AE signals over a large temperature interval above 260 K. Splitting the transformation into two martensite phases leads to power-law exponents ɛ ˜2 (β ↔ 18 R ) and ɛ ˜1.5 (β ↔ 2

  15. Shadows cast on the transition disk of HD 135344B. Multiwavelength VLT/SPHERE polarimetric differential imaging

    NASA Astrophysics Data System (ADS)

    Stolker, T.; Dominik, C.; Avenhaus, H.; Min, M.; de Boer, J.; Ginski, C.; Schmid, H. M.; Juhasz, A.; Bazzon, A.; Waters, L. B. F. M.; Garufi, A.; Augereau, J.-C.; Benisty, M.; Boccaletti, A.; Henning, Th.; Langlois, M.; Maire, A.-L.; Ménard, F.; Meyer, M. R.; Pinte, C.; Quanz, S. P.; Thalmann, C.; Beuzit, J.-L.; Carbillet, M.; Costille, A.; Dohlen, K.; Feldt, M.; Gisler, D.; Mouillet, D.; Pavlov, A.; Perret, D.; Petit, C.; Pragt, J.; Rochat, S.; Roelfsema, R.; Salasnich, B.; Soenke, C.; Wildi, F.

    2016-11-01

    Context. The protoplanetary disk around the F-type star HD 135344B (SAO 206462) is in a transition stage and shows many intriguing structures both in scattered light and thermal (sub-)millimeter emission which are possibly related to planet formation processes. Aims: We aim to study the morphology and surface brightness of the disk in scattered light to gain insight into the innermost disk regions, the formation of protoplanets, planet-disk interactions traced in the surface and midplane layers, and the dust grain properties of the disk surface. Methods: We have carried out high-contrast polarimetric differential imaging (PDI) observations with VLT/SPHERE and obtained polarized scattered light images with ZIMPOL in the R and I-bands and with IRDIS in the Y and J-bands. The scattered light images and surface brightness profiles are used to study in detail structures in the disk surface and brightness variations. We have constructed a 3D radiative transfer model to support the interpretation of several detected shadow features. Results: The scattered light images reveal with unprecedented angular resolution and sensitivity the spiral arms as well as the 25 au cavity of the disk. Multiple shadow features are discovered on the outer disk with one shadow only being present during the second observation epoch. A positive surface brightness gradient is observed in the stellar irradiation corrected (r2-scaled) images in southwest direction possibly due to an azimuthally asymmetric perturbation of the temperature and/or surface density by the passing spiral arms. The disk integrated polarized flux, normalized to the stellar flux, shows a positive trend towards longer wavelengths which we attribute to large (2πa ≳ λ) aggregate dust grains in the disk surface. Part of the non-azimuthal polarization signal in the Uφ image of the J-band observation can be attributed to multiple scattering in the disk. Conclusions: The detected shadow features and their possible variability

  16. Jammed lattice sphere packings

    NASA Astrophysics Data System (ADS)

    Kallus, Yoav; Marcotte, Étienne; Torquato, Salvatore

    2013-12-01

    We generate and study an ensemble of isostatic jammed hard-sphere lattices. These lattices are obtained by compression of a periodic system with an adaptive unit cell containing a single sphere until the point of mechanical stability. We present detailed numerical data about the densities, pair correlations, force distributions, and structure factors of such lattices. We show that this model retains many of the crucial structural features of the classical hard-sphere model and propose it as a model for the jamming and glass transitions that enables exploration of much higher dimensions than are usually accessible.

  17. Important property of polymer spheres for the preparation of three-dimensionally ordered macroporous (3DOM) metal oxides by the ethylene glycol method: the glass-transition temperature.

    PubMed

    Sadakane, Masahiro; Sasaki, Keisuke; Nakamura, Hiroki; Yamamoto, Takashi; Ninomiya, Wataru; Ueda, Wataru

    2012-12-21

    We demonstrate that the glass-transition temperature (T(g)) of a polymer sphere template is a crucial factor in the production of three-dimensionally ordered macroporous (3DOM) materials. Metal nitrate dissolved in ethylene glycol-methanol was infiltrated into the void of a face-centered, close-packed colloidal crystal of poly(methyl methacrylate) (PMMA)-based spheres. The metal nitrate reacts with EG to form a metal oxalate (or metal glycoxylate) solid (nitrate oxidation) in the void of the template when the metal nitrate-EG-PMMA composite is heated. Further heating converts metal oxalate to metal oxide and removes PMMA to form 3DOM materials. We investigated the effect of T(g) of PMMA templates and obtained clear evidence that the solidification temperature of the metal precursor solution (i.e., nitration oxidation temperature) should be lower than the T(g) of the polymer spheres to obtain a well-ordered 3DOM structure.

  18. The isotropic-nematic and nematic-nematic phase transition of binary mixtures of tangent hard-sphere chain fluids: an analytical equation of state.

    PubMed

    van Westen, Thijs; Vlugt, Thijs J H; Gross, Joachim

    2014-01-21

    An analytical equation of state (EoS) is derived to describe the isotropic (I) and nematic (N) phase of linear- and partially flexible tangent hard-sphere chain fluids and their mixtures. The EoS is based on an extension of Onsager's second virial theory that was developed in our previous work [T. van Westen, B. Oyarzún, T. J. H. Vlugt, and J. Gross, J. Chem. Phys. 139, 034505 (2013)]. Higher virial coefficients are calculated using a Vega-Lago rescaling procedure, which is hereby generalized to mixtures. The EoS is used to study (1) the effect of length bidispersity on the I-N and N-N phase behavior of binary linear tangent hard-sphere chain fluid mixtures, (2) the effect of partial molecular flexibility on the binary phase diagram, and (3) the solubility of hard-sphere solutes in I- and N tangent hard-sphere chain fluids. By changing the length bidispersity, two types of phase diagrams were found. The first type is characterized by an I-N region at low pressure and a N-N demixed region at higher pressure that starts from an I-N-N triphase equilibrium. The second type does not show the I-N-N equilibrium. Instead, the N-N region starts from a lower critical point at a pressure above the I-N region. The results for the I-N region are in excellent agreement with the results from molecular simulations. It is shown that the N-N demixing is driven both by orientational and configurational/excluded volume entropy. By making the chains partially flexible, it is shown that the driving force resulting from the configurational entropy is reduced (due to a less anisotropic pair-excluded volume), resulting in a shift of the N-N demixed region to higher pressure. Compared to linear chains, no topological differences in the phase diagram were found. We show that the solubility of hard-sphere solutes decreases across the I-N phase transition. Furthermore, it is shown that by using a liquid crystal mixture as the solvent, the solubility difference can by maximized by tuning the

  19. First evaluation of the thermodynamic properties for spheres to elongated micelles transition of some propanediyl-alpha,omega-bis(dimethylalkylammonium bromide) surfactants in aqueous solution.

    PubMed

    Fisicaro, Emilia; Compari, Carlotta; Duce, Elenia; Contestabili, Cristina; Viscardi, Guido; Quagliotto, Pierluigi

    2005-02-10

    The apparent and partial molar enthalpies, apparent molar volumes, and adiabatic compressibilities at 298 K of the aqueous solutions of the cationic gemini surfactants propanediyl-alpha,omega-bis(octyldimethylammonium bromide) (8-3-8) and propanediyl-alpha,omega-bis(dodecyldimethylammonium bromide) (12-3-12) have been measured as a function of concentration. The trends of the partial molar enthalpies versus concentration are the first well documented thermodynamic evidence of sphere to rod transition in the micellar phase, involving a detectable quantity of heat, and allow the determination of the change in enthalpy associated with this transition. The changes in enthalpies upon micellization and for the sphere to elongated micelles transition, DeltaH(s)(-->)(r), have been obtained from the experimental data by using a pseudo-phase transition approach: -1.5 kJ mol(-1) for 8-3-8 and -3.9 kJ mol(-1) for 12-3-12. No evidence of the above transition is found in the trends of volumetric properties versus m. The apparent adiabatic molar compressibilities for the compounds under investigation are also reported here for the first time: a negative group contribution for the methylene group is evaluated, when the surfactants are present in solution as a single molecule, reflecting its solvation structure. In the micellar phase, the -CH(2)- group contribution becomes positive. A value of 1.17 x 10(-3) cm(3) bar(-1) mol(-1) for the change in adiabatic molar compressibility upon micellization is obtained. The lower values of the methylene group contributions to the volumetric properties for the monomers support the hypothesis of partial association of the chains before the cmc.

  20. Demixing transition, structure, and depletion forces in binary mixtures of hard-spheres: the role of bridge functions.

    PubMed

    López-Sánchez, Erik; Estrada-Álvarez, César D; Pérez-Ángel, Gabriel; Méndez-Alcaraz, José Miguel; González-Mozuelos, Pedro; Castañeda-Priego, Ramón

    2013-09-14

    Asymmetric binary mixtures of hard-spheres exhibit several interesting thermodynamic phenomena, such as multiple kinds of glassy states. When the degrees of freedom of the small spheres are integrated out from the description, their effects are incorporated into an effective pair interaction between large spheres known as the depletion potential. The latter has been widely used to study both the phase behavior and dynamic arrest of the big particles. Depletion forces can be accounted for by a contraction of the description in the multicomponent Ornstein-Zernike equation [R. Castañeda-Priego, A. Rodríguez-López, and J. M. Méndez-Alcaraz, Phys. Rev. E 73, 051404 (2006)]. Within this theoretical scheme, an approximation for the difference between the effective and bare bridge functions is needed. In the limit of infinite dilution, this difference is irrelevant and the typical Asakura-Osawa depletion potential is recovered. At higher particle concentrations, however, this difference becomes important, especially where the shell of first neighbors is formed, and, as shown here, cannot be simply neglected. In this work, we use a variant of the Verlet expression for the bridge functions to highlight their importance in the calculation of the depletion potential at high densities and close to the spinodal decomposition. We demonstrate that the modified Verlet closure predicts demixing in binary mixtures of hard spheres for different size ratios and compare its predictions with both liquid state and density functional theories, computer simulations, and experiments. We also show that it provides accurate correlation functions even near the thermodynamic instability; this is explicitly corroborated with results of molecular dynamics simulations of the whole mixture. Particularly, our findings point toward a possible universal behavior of the depletion potential around the spinodal line.

  1. Degree of disorder in cubic mesophases in thermotropics: thermodynamic study of a liquid crystal showing two cubic mesophases.

    PubMed

    Saito, Kazuya; Shinhara, Takashi; Nakamoto, Tadahiro; Kutsumizu, Shoichi; Yano, S; Sorai, Michio

    2002-03-01

    Heat capacity of a thermotropic mesogen ANBC(22) (4(')-alkoxy-3(')-nitrobiphenyl-4-carboxylic acid with 22 carbon atoms in alkyl chain) showing two cubic mesophases was measured by adiabatic calorimetry between 13 and 480 K. Excess enthalpies and entropies due to phase transitions were determined. A small thermal anomaly due to the cubic Im3m-->cubic Ia3d phase transition was successfully detected. Through an analysis of chain-length dependence of the entropy of transition, the sequence of two cubic mesophases (with space groups Ia3d and Im3m) is deduced for thermotropic mesogens ANBC(n). It is shown that the disorder of the core arrangement decreases in the order of Sm-C-->cubic (Im3m)-->cubic (Ia3d) while that of the chain in the reverse order cubic (Ia3d)-->cubic (Im3m)-->Sm C.

  2. Phase transition and mechanical properties of tungsten nanomaterials from molecular dynamic simulation

    NASA Astrophysics Data System (ADS)

    Chen, L.; Fan, J. L.; Gong, H. R.

    2017-03-01

    Molecular dynamic simulation is used to systematically find out the effects of the size and shape of nanoparticles on phase transition and mechanical properties of W nanomaterials. It is revealed that the body-centered cubic (BCC) to face-centered cubic (FCC) phase transition could only happen in cubic nanoparticles of W, instead of the shapes of sphere, octahedron, and rhombic dodecahedron, and that the critical number to trigger the phase transition is 5374 atoms. Simulation also shows that the FCC nanocrystalline W should be prevented due to its much lower tensile strength than its BCC counterpart and that the octahedral and rhombic dodecahedral nanoparticles of W, rather than the cubic nanoparticles, should be preferred in terms of phase transition and mechanical properties. The derived results are discussed extensively through comparing with available observations in the literature to provide a deep understanding of W nanomaterials.

  3. The peculiar behavior of the glass transition temperature of amorphous drug-polymer films coated on inert sugar spheres.

    PubMed

    Dereymaker, Aswin; Van Den Mooter, Guy

    2015-05-01

    Fluid bed coating has been proposed in the past as an alternative technology for manufacturing of drug-polymer amorphous solid dispersions, or so-called glass solutions. It has the advantage of being a one-step process, and thus omitting separate drying steps, addition of excipients, or manipulation of the dosage form. In search of an adequate sample preparation method for modulated differential scanning calorimetry analysis of beads coated with glass solutions, glass transition broadening and decrease of the glass transition temperature (Tg ) were observed with increasing particle size of crushed coated beads and crushed isolated films of indomethacin (INDO) and polyvinylpyrrolidone (PVP). Substituting INDO with naproxen gave comparable results. When ketoconazole was probed or the solvent in INDO-PVP films was switched to dichloromethane (DCM) or a methanol-DCM mixture, two distinct Tg regions were observed. Small particle sizes had a glass transition in the high Tg region, and large particle sizes had a glass transition in the low Tg region. This particle size-dependent glass transition was ascribed to different residual solvent amounts in the bulk and at the surface of the particles. A correlation was observed between the deviation of the Tg from that calculated from the Gordon-Taylor equation and the amount of residual solvent at the Tg of particles with different sizes.

  4. Direct detection of scattered light gaps in the transitional disk around HD 97048 with VLT/SPHERE

    NASA Astrophysics Data System (ADS)

    Ginski, C.; Stolker, T.; Pinilla, P.; Dominik, C.; Boccaletti, A.; de Boer, J.; Benisty, M.; Biller, B.; Feldt, M.; Garufi, A.; Keller, C. U.; Kenworthy, M.; Maire, A. L.; Ménard, F.; Mesa, D.; Milli, J.; Min, M.; Pinte, C.; Quanz, S. P.; van Boekel, R.; Bonnefoy, M.; Chauvin, G.; Desidera, S.; Gratton, R.; Girard, J. H. V.; Keppler, M.; Kopytova, T.; Lagrange, A.-M.; Langlois, M.; Rouan, D.; Vigan, A.

    2016-11-01

    Aims: We studied the well-known circumstellar disk around the Herbig Ae/Be star HD 97048 with high angular resolution to reveal undetected structures in the disk which may be indicative of disk evolutionary processes such as planet formation. Methods: We used the IRDIS near-IR subsystem of the extreme adaptive optics imager SPHERE at the ESO/VLT to study the scattered light from the circumstellar disk via high resolution polarimetry and angular differential imaging. Results: We imaged the disk in unprecedented detail and revealed four ring-like brightness enhancements and corresponding gaps in the scattered light from the disk surface with radii between 39 au and 341 au. We derived the inclination and position angle as well as the height of the scattering surface of the disk from our observational data. We found that the surface height profile can be described by a single power law up to a separation 270 au. Using the surface height profile we measured the scattering phase function of the disk and found that it is consistent with theoretical models of compact dust aggregates. We discuss the origin of the detected features and find that low mass (≤1 MJup) nascent planets are a possible explanation. Based on data collected at the European Southern Observatory, Chile (ESO Programs 096.C-0248, 096.C-0241, 077.C-0106).

  5. Evaluation of gastrointestinal tract transit times using barium-impregnated polyethylene spheres and barium sulfate suspension in a domestic pigeon (Columba livia) model.

    PubMed

    Bloch, Rebecca A; Cronin, Kimberly; Hoover, John P; Pechman, Robert D; Payton, Mark E

    2010-03-01

    Barium impregnated polyethylene spheres (BIPS) are used in small animal medicine as an alternative to barium sulfate for radiographic studies of the gastrointestinal tract. To determine the usefulness of BIPS as an alternative to barium suspension in measuring gastrointestinal (GI) transit time for avian species, ventrodorsal radiographs were used to follow the passage of BIPS and 30% barium sulfate suspension through the GI tracts of domestic pigeons (Columba livia). Gastrointestinal transit times of thirty 1.5-mm BIPS administered in moistened gelatin capsules and 30% barium sulfate suspension gavaged into the crop were compared in 6 pigeons. Although the barium suspension passed out of the GI tract of all pigeons within 24 hours, the 1.5-mm BIPS remained in the ventriculus for 368.0 +/- 176.8 hours and did not clear the GI tract for 424.0 +/- 204.6 hours. Although the times for passage of BIPS and 30% barium sulfate suspension from the crop into the ventriculus were not significantly different (P = .14), the times for passage of BIPS from the ventriculus into the large intestine-cloaca and for clearance from the GI tract of the pigeons were significantly longer (P < .001) than for the 30% barium sulfate suspension. From the results of this study, we conclude that BIPS are not useful for radiographically evaluating GI transit times in pigeons and are unlikely to be useful in other avian species that have a muscular ventriculus. BIPS may or may not be useful for evaluating GI transit times in species that lack a muscular ventriculus.

  6. Local Aerodynamic Heat Transfer and Boundary-Layer Transition on Roughened Sphere-Ellipsoid Bodies at Mach Number 3.0

    NASA Technical Reports Server (NTRS)

    Deveikis, William D.; Walker, Robert W.

    1961-01-01

    A wind-tunnel investigation was made to determine heat-transfer distributions on three steel sphere-ellipsoid bodies with surface roughnesses of 5, 100, and 200 microinches. Tests were conducted in the Langley 9- by 6-foot thermal structures tunnel at a Mach number of 3.0, free-stream Reynolds numbers (based on model spherical diameter) of 4.25 x 10(exp 6) and 2.76 x l0(exp 6), and at a stagnation temperature of 650 F. Pressure distributions were obtained also on a fourth model. The results indicated that the combination of surface roughness and boundary-layer cooling tended to promote early transition and nullify the advantages attributable to the blunt shape of the model for reducing local temperatures. Good correlation between experimental heating rates and those calculated from laminar theory was achieved up to the start of boundary-layer transition. The correlation also was good with the values predicted by turbulent theory for surface stations downstream from the 45 deg. station.

  7. Phase diagram of elastic spheres.

    PubMed

    Athanasopoulou, L; Ziherl, P

    2017-02-15

    Experiments show that polymeric nanoparticles often self-assemble into several non-close-packed lattices in addition to the face-centered cubic lattice. Here, we explore theoretically the possibility that the observed phase sequences may be associated with the softness of the particles, which are modeled as elastic spheres interacting upon contact. The spheres are described by two finite-deformation theories of elasticity, the modified Saint-Venant-Kirchhoff model and the neo-Hookean model. We determine the range of indentations where the repulsion between the spheres is pairwise additive and agrees with the Hertz theory. By computing the elastic energies of nine trial crystal lattices at densities far beyond the Hertzian range, we construct the phase diagram and find the face- and body-centered cubic lattices as well as the A15 lattice and the simple hexagonal lattice, with the last two being stable at large densities where the spheres are completely faceted. These results are qualitatively consistent with observations, suggesting that deformability may indeed be viewed as a generic property that determines the phase behavior in nanocolloidal suspensions.

  8. Distorted cubic tetranuclear vanadium(IV) phosphonate cages: double-four-ring (D4R) containing transition metal ion phosphonate cages.

    PubMed

    Chandrasekhar, Vadapalli; Dey, Atanu; Senapati, Tapas; Sañudo, E Carolina

    2012-01-21

    The reaction of VCl(3) with 3,5-dimethylpyrazole (3,5-Me(2)PzH) and trichloromethylphosphonic/tert-butylphosphonic acid in the presence of triethylamine as a hydrogen chloride scavenger afforded the tetranuclear V(IV) assemblies, [(VO)(4)(3,5-Me(2)PzH)(8)(CCl(3)PO(3))(4)] (1) and [(VO)(4)(3,5-Me(2)PzH)(4)(t-BuPO(3))(4)] (2). Both of these compounds possess a distorted cubic framework structures containing V(IV) ions and phosphorus atoms in the alternate corners of the cube. The edges of the cube contain oxygen atoms derived from the phosphonate ligand. The phosphonate ligand in both of these compounds is dianionic and helps to bind to three V(IV) centers. The faces of the cubic ensembles contain puckered V(2)P(2)O(4) eight-membered rings. The V(IV) center in 1 is six-coordinate in a distorted octahedral geometry while in 2 it is five-coordinate in a distorted square-pyramidal geometry. Magnetic studies carried out on 1 and 2 reveal that the V(IV) centers are anti-ferromagnetically coupled to each other, albeit weakly, through the mediation of the phosphonate ligands.

  9. Multiple rings in the transition disk and companion candidates around RX J1615.3-3255. High contrast imaging with VLT/SPHERE

    NASA Astrophysics Data System (ADS)

    de Boer, J.; Salter, G.; Benisty, M.; Vigan, A.; Boccaletti, A.; Pinilla, P.; Ginski, C.; Juhasz, A.; Maire, A.-L.; Messina, S.; Desidera, S.; Cheetham, A.; Girard, J. H.; Wahhaj, Z.; Langlois, M.; Bonnefoy, M.; Beuzit, J.-L.; Buenzli, E.; Chauvin, G.; Dominik, C.; Feldt, M.; Gratton, R.; Hagelberg, J.; Isella, A.; Janson, M.; Keller, C. U.; Lagrange, A.-M.; Lannier, J.; Menard, F.; Mesa, D.; Mouillet, D.; Mugrauer, M.; Peretti, S.; Perrot, C.; Sissa, E.; Snik, F.; Vogt, N.; Zurlo, A.; SPHERE Consortium

    2016-11-01

    Context. The effects of a planet sculpting the disk from which it formed are most likely to be found in disks that are in transition between being classical protoplanetary and debris disks. Recent direct imaging of transition disks has revealed structures such as dust rings, gaps, and spiral arms, but an unambiguous link between these structures and sculpting planets is yet to be found. Aims: We aim to find signs of ongoing planet-disk interaction and study the distribution of small grains at the surface of the transition disk around RX J1615.3-3255 (RX J1615). Methods: We observed RX J1615 with VLT/SPHERE. From these observations, we obtained polarimetric imaging with ZIMPOL (R'-band) and IRDIS (J), and IRDIS (H2H3) dual-band imaging with simultaneous spatially resolved spectra with the IFS (YJ). Results: We image the disk for the first time in scattered light and detect two arcs, two rings, a gap and an inner disk with marginal evidence for an inner cavity. The shapes of the arcs suggest that they are probably segments of full rings. Ellipse fitting for the two rings and inner disk yield a disk inclination i = 47 ± 2° and find semi-major axes of 1.50 ± 0.01'' (278 au), 1.06 ± 0.01'' (196 au) and 0.30 ± 0.01'' (56 au), respectively. We determine the scattering surface height above the midplane, based on the projected ring center offsets. Nine point sources are detected between 2.1'' and 8.0'' separation and considered as companion candidates. With NACO data we recover four of the nine point sources, which we determine to be not co-moving, and therefore unbound to the system. Conclusions: We present the first detection of the transition disk of RX J1615 in scattered light. The height of the rings indicate limited flaring of the disk surface, which enables partial self-shadowing in the disk. The outermost arc either traces the bottom of the disk or it is another ring with semi-major axis ≳ 2.35'' (435 au). We explore both scenarios, extrapolating the complete

  10. Bond-orientational analysis of hard-disk and hard-sphere structures.

    PubMed

    Senthil Kumar, V; Kumaran, V

    2006-05-28

    We report the bond-orientational analysis results for the thermodynamic, random, and homogeneously sheared inelastic structures of hard-disks and hard-spheres. The thermodynamic structures show a sharp rise in the order across the freezing transition. The random structures show the absence of crystallization. The homogeneously sheared structures get ordered at a packing fraction higher than the thermodynamic freezing packing fraction, due to the suppression of crystal nucleation. On shear ordering, strings of close-packed hard-disks in two dimensions and close-packed layers of hard-spheres in three dimensions, oriented along the velocity direction, slide past each other. Such a flow creates a considerable amount of fourfold order in two dimensions and body-centered-tetragonal (bct) structure in three dimensions. These transitions are the flow analogs of the martensitic transformations occurring in metals due to the stresses induced by a rapid quench. In hard-disk structures, using the bond-orientational analysis we show the presence of fourfold order. In sheared inelastic hard-sphere structures, even though the global bond-orientational analysis shows that the system is highly ordered, a third-order rotational invariant analysis shows that only about 40% of the spheres have face-centered-cubic (fcc) order, even in the dense and near-elastic limits, clearly indicating the coexistence of multiple crystalline orders. When layers of close-packed spheres slide past each other, in addition to the bct structure, the hexagonal-close-packed (hcp) structure is formed due to the random stacking faults. Using the Honeycutt-Andersen pair analysis and an analysis based on the 14-faceted polyhedra having six quadrilateral and eight hexagonal faces, we show the presence of bct and hcp signatures in shear ordered inelastic hard-spheres. Thus, our analysis shows that the dense sheared inelastic hard-spheres have a mixture of fcc, bct, and hcp structures.

  11. Cubic-tetragonal transition in KMnF3: IR hard-mode spectroscopy and the temperature evolution of the (precursor) order parameter

    NASA Astrophysics Data System (ADS)

    Salje, Ekhard K. H.; Zhang, Ming; Zhang, Huali

    2009-08-01

    Precursor effects were observed in KMnF3 using infrared hard-mode spectroscopy. The intensity of the infrared-active mode near 265 cm-1 follows the thermodynamic order parameter, Q, in the tetragonal phase (I4/mcm). An additional weak signal is found in the cubic phase (Pm\\bar {3}m ). The order parameter step at To = 185.95 K (L = 0.129 J g-1) is smeared with excess intensity due to the tetragonal short range order extending to T>215 K. The intensity follows the predictions of Landau theory with a defect field Gdefect = -hQ, h = 6 J mol-1. The observed excess intensities are compared with the appearance of precursor elastic softening. It is concluded that the precursor softening and the local tetragonal short range order are likely to be related to an extended defect structure, such as a tweed pattern, which may be stabilized by extrinsic defects.

  12. B═B and B≡E (E = N and o) multiple bonds in the coordination sphere of late transition metals.

    PubMed

    Brand, Johannes; Braunschweig, Holger; Sen, Sakya S

    2014-01-21

    Because of their unusual structural and bonding motifs, multiply bonded boron compounds are fundamentally important to chemists, leading to enormous research interest. To access these compounds, researchers have introduced sterically demanding ligands that provide kinetic as well as electronic stability. A conceptually different approach to the synthesis of such compounds involves the use of an electron-rich, coordinatively unsaturated transition metal fragment. To isolate the plethora of borane, boryl, and borylene complexes, chemists have also used the coordination sphere of transition metals to stabilize reactive motifs in these molecules. In this Account, we summarize our results showing that increasingly synthetically challenging targets such as iminoboryl (B≡N), oxoboryl (B≡O), and diborene (B═B) fragments can be stabilized in the coordination sphere of late transition metals. This journey began with the isolation of two new iminoboryl ligands trans-[(Cy3P)2(Br)M(B≡N(SiMe3))] (M = Pd, Pt) attached to palladium and platinum fragments. The synthesis involved oxidative addition of the B-Br bond in (Me3Si)2N═BBr2 to [M(PCy3)2] (M = Pt, Pd) and the subsequent elimination of Me3SiBr at room temperature. Variation of the metal, the metal-bound coligands, and the substituent at the nitrogen atom afforded a series of analogous iminoboryl complexes. Following the same synthetic strategy, we also synthesized the first oxoboryl complex trans-[(Cy3P)2BrPt(BO)]. The labile bromide ligand adjacent to platinum makes the complex a viable candidate for further substitution reactions, which led to a number of new oxoboryl complexes. In addition to allowing us to isolate these fundamental compounds, the synthetic strategy is very convenient and minimizes byproducts. We also discuss the reaction chemistry of these types of compounds. In addition to facilitating the isolation of compounds with B≡E (E = N, O) triple bonds, the platinum fragment can also stabilize a

  13. Accurate monotone cubic interpolation

    NASA Technical Reports Server (NTRS)

    Huynh, Hung T.

    1991-01-01

    Monotone piecewise cubic interpolants are simple and effective. They are generally third-order accurate, except near strict local extrema where accuracy degenerates to second-order due to the monotonicity constraint. Algorithms for piecewise cubic interpolants, which preserve monotonicity as well as uniform third and fourth-order accuracy are presented. The gain of accuracy is obtained by relaxing the monotonicity constraint in a geometric framework in which the median function plays a crucial role.

  14. Cubic-tetragonal transition in KMnF(3): IR hard-mode spectroscopy and the temperature evolution of the (precursor) order parameter.

    PubMed

    Salje, Ekhard K H; Zhang, Ming; Zhang, Huali

    2009-08-19

    Precursor effects were observed in KMnF(3) using infrared hard-mode spectroscopy. The intensity of the infrared-active mode near 265 cm(-1) follows the thermodynamic order parameter, Q, in the tetragonal phase (I4/mcm). An additional weak signal is found in the cubic phase ([Formula: see text]). The order parameter step at T(o) = 185.95 K (L = 0.129 J g(-1)) is smeared with excess intensity due to the tetragonal short range order extending to T>215 K. The intensity follows the predictions of Landau theory with a defect field G(defect) = -hQ, h = 6 J mol(-1). The observed excess intensities are compared with the appearance of precursor elastic softening. It is concluded that the precursor softening and the local tetragonal short range order are likely to be related to an extended defect structure, such as a tweed pattern, which may be stabilized by extrinsic defects.

  15. Postdeposition annealing induced transition from hexagonal Pr{sub 2}O{sub 3} to cubic PrO{sub 2} films on Si(111)

    SciTech Connect

    Weisemoeller, T.; Bertram, F.; Gevers, S.; Greuling, A.; Deiter, C.; Tobergte, H.; Neumann, M.; Wollschlaeger, J.; Giussani, A.; Schroeder, T.

    2009-06-15

    Films of hexagonal praseodymium sesquioxide (h-Pr{sub 2}O{sub 3}) were deposited on Si(111) by molecular beam epitaxy and thereafter annealed in 1 atm oxygen at different temperatures, ranging from 100 to 700 deg. C. The films of the samples annealed at 300 deg. C or more were transformed to PrO{sub 2} with B-oriented Fm3m structure, while films annealed at lower temperatures kept the hexagonal structure. The films are composed of PrO{sub 2} and PrO{sub 2-d}elta species, which coexist laterally and are tetragonally distorted due to the interaction at the interface between oxide film and Si substrate. Compared to PrO{sub 2}, PrO{sub 2-d}elta has the same cubic structure but with oxygen vacancies. The oxygen vacancies are partly ordered and increase the vertical lattice constant of the film, whereas the lateral lattice constant is almost identical for both species and on all samples. The latter lattice constant matches the lattice constant of the originally crystallized hexagonal praseodymium sesquioxide. That means that no long range reordering of the praseodymium atoms takes place during the phase transformation.

  16. SPHERES Facility

    NASA Technical Reports Server (NTRS)

    Martinez, Andres; Benavides, Jose Victor; Ormsby, Steve L.; GuarnerosLuna, Ali

    2014-01-01

    Synchronized Position Hold, Engage, Reorient, Experimental Satellites (SPHERES) are bowling-ball sized satellites that provide a test bed for development and research into multi-body formation flying, multi-spacecraft control algorithms, and free-flying physical and material science investigations. Up to three self-contained free-flying satellites can fly within the cabin of the International Space Station (ISS), performing flight formations, testing of control algorithms or as a platform for investigations requiring this unique free-flying test environment. Each satellite is a self-contained unit with power, propulsion, computers, navigation equipment, and provides physical and electrical connections (via standardized expansion ports) for Principal Investigator (PI) provided hardware and sensors.

  17. Voronoi neighbor statistics of hard-disks and hard-spheres

    NASA Astrophysics Data System (ADS)

    Kumar, V. Senthil; Kumaran, V.

    2005-08-01

    The neighbor distribution in hard-sphere and hard-disk fluids is analyzed using Voronoi tessellation. The statistical measures analyzed are the nth neighbor coordination number (Cn), the nth neighbor distance distribution [fn(r )], and the distribution of the number of Voronoi faces (Pn). These statistics are sensitive indicators of microstructure, and they distinguish thermodynamic and annealed structures. A sharp rise in the hexagon population marks the onset of hard-disk freezing transition, and Cn decreases sharply to the hexagonal lattice values. In hard-disk random structures the pentagon and heptagon populations remain significant even at high volume fraction. In dense hard-sphere (three-dimensional) structures at the freezing transition, C1 is close to 14, instead of the value of 12 expected for a face-centered-cubic lattice. This is found to be because of a topological instability, where a slight perturbation of the positions in the centers of a pair of particles transforms a vertex in the Voronoi polyhedron into a Voronoi surface. We demonstrate that the pair distribution function and the equation-of-state obtained from Voronoi tessellation are equal to those obtained from thermodynamic calculations. In hard-sphere random structures, the dodecahedron population decreases with increasing density. To demonstrate the utility of the neighbor analysis, we estimate the effective hard-sphere diameter of the Lennard-Jones fluid by identifying the diameter of the spheres in the hard-sphere fluid which has C1 equal to that for the Lennard-Jones fluid. The estimates are within 2% deviation from the theoretical results of Barker-Henderson and Weeks-Chandler-Andersen.

  18. Cubic nitride templates

    DOEpatents

    Burrell, Anthony K; McCleskey, Thomas Mark; Jia, Quanxi; Mueller, Alexander H; Luo, Hongmei

    2013-04-30

    A polymer-assisted deposition process for deposition of epitaxial cubic metal nitride films and the like is presented. The process includes solutions of one or more metal precursor and soluble polymers having binding properties for the one or more metal precursor. After a coating operation, the resultant coating is heated at high temperatures under a suitable atmosphere to yield metal nitride films and the like. Such films can be used as templates for the development of high quality cubic GaN based electronic devices.

  19. First-principles calculations of the twin boundary energies and adhesion energies of interfaces for cubic face-centered transition-metal nitrides and carbides

    NASA Astrophysics Data System (ADS)

    Li, Tengfei; Liu, Tianmo; Wei, Hongmei; Hussain, Shahid; Wang, Jinxing; Zeng, Wen; Peng, Xianghe; Wang, Zhongchang

    2015-11-01

    The twin boundary energies of TiN, ZrN, HfN, TiC, ZrC, HfC, VC, NbC and TaC and the adhesion energies of twin interfaces and interfaces of TiN/ZrN, VC/TiC and TiN/TiC were calculated using first-principles methods. A new route in the preparation of mechanically superhard films has been proposed by introducing twin into the multilayer of transition-metal nitrides and carbides.

  20. Two successive single crystal phase transitions involving the coordination sphere of antimony in PhSb(dmit), the first organo-antimony(III) dithiolene complex.

    PubMed

    Avarvari, N; Faulques, E; Fourmigué, M

    2001-05-21

    PhSb(dmit) (dmit(2)(-), 4,5-dithiolato-1,3-dithiole-2-thione), the first neutral organo-antimony dithiolene complex, has been synthesized by addition of PhSbCl(2) on a suspension of Na(2)(dmit). The complex was characterized by spectroscopic ((1)H and (13)C NMR and IR) methods and elemental analysis. Its crystal structure was determined by X-ray diffraction at room temperature in the monoclinic P2(1)/c space group, with a = 12.580(3), b = 8.9756(18), c = 15.905(3) A, beta = 109.06(3) degrees, V = 1697.5(6) A(3), Z = 4. A coordinating THF molecule was found in the structure and the coordination geometry around the antimony atom is of distorted pseudopentagonal bipyramid type, if taking into account the Sb.O and secondary Sb.S interactions, as well as the stereochemically active 5s(2) lone pair. The intermolecular Sb.S and S.S contacts, shorter than the sum of van der Waals radii of corresponding atoms, lead to the formation of a three-dimensional polymeric network in the solid state. A second X-ray diffraction experiment, performed at 85 K, revealed a very similar monoclinic unit cell with the noncentrosymmetrical space group P2(1) with a = 12.613(3), b = 8.9876(18), c = 15.109(3) A, beta = 107.01(3) degrees, V = 1637.8(6), Z = 4. The structural differences with the first one are basically due to the rotation of the THF ligand in the coordination sphere of the antimony center, leading to the loss of every inversion center found at room temperature. A temperature variable X-ray diffraction study on a PhSb(dmit) single-crystal allowed the detection, with a remarkable accuracy, of two successive first-order phase transitions, the first occurring at T = 162.5 K, while the second was observed at T = 182.5 K. Subsequently, a third set of X-ray data was collected at 180 K and the resulting structure (monoclinic, P2(1)/c, a = 16.736(3), b = 8.9653(18), c = 33.132(7) A, beta = 91.98(3) degrees, V = 4968.2(17), Z = 12) derives from the two others by a common b axis, a 3-fold

  1. Simulation of rotary-drum and repose tests for frictional spheres and rigid sphere clusters

    SciTech Connect

    Walton, O.R.; Braun, R.L.

    1993-11-01

    The effects of rotation rate and interparticle friction on the bulk flow behavior in rotating horizontal cylinders are studied via particle-dynamic simulations. Assemblies of inelastic, frictional spheres and rigid sphere clusters are utilized, and rotation rates from quasistatic to centrifuging are examined. Flow phenomena explored include size segregation, avalanching, slumping and centrifuging. Simulated drum flows with two sizes of frictional spheres showed very rapid segregation of species perpendicular to the drum axis; however, simulations of up to 10 revolutions, utilizing periodic-boundary ends, did not exhibit the experimentally observed axial segregation into stripes. Angles of repose for uniform-sized spheres in slowly rotating cylinders varied from 13 to 31 degrees as the friction coefficient varied from 0.02 to 1.0. For simulated rotation rates higher than the threshold to obtain uniform flow conditions, the apparent angle of repose increases as the rotation rats increases, consistent with experiments. Also, simulations with rigid clusters of 4 spheres in a tetrahedral shape or 8 spheres in a cubical arrangement, demonstrate that particle shape strongly influences the repose angle. Simulations of cubical 8-sphere clusters, with a surface coefficient of friction of 0.1, produced apparent angles of repose exceeding 35 degrees, compared to 23 degrees for assemblies of single spheres interacting with the same force model parameters. Centrifuging flows at very high rotation rates exist as stationary beds moving exactly as the outer rotating wall. At somewhat slower speeds the granular bed remains in contact with the wall but exhibits surface sliding down the rising inner bed surface, moving a short distance on each revolution. At still slower speeds particles rain from the surface of the upper half of the rotating bed.

  2. Strain tuning of topological band order in cubic semiconductors

    SciTech Connect

    Feng, wanxiang; Zhu, Wenguang; Weitering, Hanno; Stocks, George Malcolm; Yao, yugui; Xiao, Di

    2012-01-01

    We theoretically explore the possibility of tuning the topological order of cubic diamond/zinc-blende semi- conductors with external strain. Based on a simple tight-binding model, we analyze the evolution of the cubic semiconductor band structure under hydrostatic or biaxial lattice expansion, by which a generic guiding princi- ple is established that biaxial lattice expansion can induce a topological phase transition of small band-gap cubic semiconductors via a band inversion and symmetry breaking at point. Using density functional theory cal- culations, we demonstrate that a prototype topological trivial semiconductor, InSb, is converted to a nontrivial topological semiconductor with a 2% 3% biaxial lattice expansion.

  3. Rheological properties of Cubic colloidal suspensions

    NASA Astrophysics Data System (ADS)

    Boromand, Arman; Maia, Joao

    2016-11-01

    Colloidal and non-colloidal suspensions are ubiquitous in many industrial application. There are numerous studies on these systems to understand and relate their complex rheological properties to their microstructural evolution under deformation. Although most of the experimental and simulation studies are centered on spherical particles, in most of the industrial applications the geometry of the colloidal particles deviate from the simple hard sphere and more complex geometries exist. Recent advances in microfabrication paved the way to fabricate colloidal particles with complex geometries for applications in different areas such as drug delivery where the fundamental understanding of their dynamics has remained unexplored. In this study, using dissipative particle dynamics, we investigate the rheological properties of cubic (superball) particles which are modeled as the cluster of core-modified DPD particles. Explicit representation of solvent particles in the DPD scheme will conserve the full hydrodynamic interactions between colloidal particles. Rheological properties of these cubic suspensions are investigated in the dilute and semi-dilute regimes. The Einstein and Huggins coefficients for these particles with different superball exponent will be calculate which represent the effect of single particle's geometry and multibody interactions on viscosity, respectively. The response of these suspensions is investigated under simple shear and oscillatory shear where it is shown that under oscillation these particles tend to form crystalline structure giving rise to stronger shear-thinning behavior recently measured experimentally.

  4. Percolation of disordered jammed sphere packings

    NASA Astrophysics Data System (ADS)

    Ziff, Robert M.; Torquato, Salvatore

    2017-02-01

    We determine the site and bond percolation thresholds for a system of disordered jammed sphere packings in the maximally random jammed state, generated by the Torquato–Jiao algorithm. For the site threshold, which gives the fraction of conducting versus non-conducting spheres necessary for percolation, we find {{p}\\text{c}}=0.3116(3) , consistent with the 1979 value of Powell 0.310(5) and identical within errors to the threshold for the simple-cubic lattice, 0.311 608, which shares the same average coordination number of 6. In terms of the volume fraction ϕ, the threshold corresponds to a critical value {φ\\text{c}}=0.199 . For the bond threshold, which apparently was not measured before, we find {{p}\\text{c}}=0.2424(3) . To find these thresholds, we considered two shape-dependent universal ratios involving the size of the largest cluster, fluctuations in that size, and the second moment of the size distribution; we confirmed the ratios’ universality by also studying the simple-cubic lattice with a similar cubic boundary. The results are applicable to many problems including conductivity in random mixtures, glass formation, and drug loading in pharmaceutical tablets.

  5. Dependence of Adsorption Properties on Surface Structure for Body-Centered-Cubic Substrates

    DTIC Science & Technology

    1965-12-01

    cell area of each of the eight highest surface density planes of a body - centered - cubic substrate. From the calculations, topographical maps of...to transition-metal - transition-metal combination predicts that the 110 surface is the lowest energy configuration for a body - centered - cubic crystal.

  6. DISE: directed sphere exclusion.

    PubMed

    Gobbi, Alberto; Lee, Man-Ling

    2003-01-01

    The Sphere Exclusion algorithm is a well-known algorithm used to select diverse subsets from chemical-compound libraries or collections. It can be applied with any given distance measure between two structures. It is popular because of the intuitive geometrical interpretation of the method and its good performance on large data sets. This paper describes Directed Sphere Exclusion (DISE), a modification of the Sphere Exclusion algorithm, which retains all positive properties of the Sphere Exclusion algorithm but generates a more even distribution of the selected compounds in the chemical space. In addition, the computational requirement is significantly reduced, thus it can be applied to very large data sets.

  7. SPHERES Smartphone Workbench

    NASA Video Gallery

    The Smart SPHERES space robot (Synchronized Position Hold, Engage, Reorient, Experimental Satellites) equipped with an Android smartphone performs a video survey inside of the International Space S...

  8. Multiply charged monopoles in cubic dimer model

    NASA Astrophysics Data System (ADS)

    Ganesh Jaya, Sreejith; Powell, Stephen

    2015-03-01

    The classical cubic dimer model is a 3D statistical mechanical system whose degrees of freedom are dimers that occupy the edges between nearest neighbour vertices of a cubic lattice. Dimer occupancies are subject to the local constraint that every vertex is associated with exactly one dimer. In the presence of an aligning interaction, it is known that the system exhibits an unconventional continuous thermal phase transition from a symmetry broken columnar phase to a Coulomb-phase. The transition is in the NCCP1 universality class, which also describes the Neel-VBS transition in the JQ model and the S =1/2 Heisenberg model with suppression of hedgehog defects. Using Monte-Carlo simulations of a pair of defects in a background of fluctuating dimers, we calculate the scaling exponents for fugacities of monopole defects of charge Q = 2 and 3 at this critical point. Our estimates suggest that Q = 3 monopoles are relevant and could therefore drive the JQ model away from the NCCP1 critical point on a hexagonal lattice.

  9. Multiscale mesh generation on the sphere

    NASA Astrophysics Data System (ADS)

    Lambrechts, Jonathan; Comblen, Richard; Legat, Vincent; Geuzaine, Christophe; Remacle, Jean-François

    2008-12-01

    A method for generating computational meshes for applications in ocean modeling is presented. The method uses a standard engineering approach for describing the geometry of the domain that requires meshing. The underlying sphere is parametrized using stereographic coordinates. Then, coastlines are described with cubic splines drawn in the stereographic parametric space. The mesh generation algorithm builds the mesh in the parametric plane using available techniques. The method enables to import coastlines from different data sets and, consequently, to build meshes of domains with highly variable length scales. The results include meshes together with numerical simulations of various kinds.

  10. Balls and Spheres

    ERIC Educational Resources Information Center

    Szekely, George

    2011-01-01

    This article describes an art lesson that allows students to set up and collect sphere canvases. Spheres move art away from a rectangular canvas into a dimension that requires new planning and painting. From balls to many other spherical canvases that bounce, roll, float and fly, art experiences are envisioned by students. Even if adults recognize…

  11. Packing fraction of crystalline structures of binary hard spheres: a general equation and application to amorphization.

    PubMed

    Brouwers, H J H

    2008-07-01

    In a previous paper analytical equations were derived for the packing fraction of crystalline structures consisting of bimodal randomly placed hard spheres [H. J. H. Brouwers, Phys. Rev. E 76, 041304 (2007)]. The bimodal packing fraction was derived for the three crystalline cubic systems: viz., face-centered cubic, body-centered cubic, and simple cubic. These three equations appeared also to be applicable to all 14 Bravais lattices. Here it is demonstrated, accounting for the number of distorted bonds in the building blocks and using graph theory, that one general packing equation can be derived, valid again for all lattices. This expression is validated and applied to the process of amorphization.

  12. PREPARATION OF HIGH-DENSITY THORIUM OXIDE SPHERES

    DOEpatents

    McNees, R.A. Jr.; Taylor, A.J.

    1963-12-31

    A method of preparing high-density thorium oxide spheres for use in pellet beds in nuclear reactors is presented. Sinterable thorium oxide is first converted to free-flowing granules by means such as compression into a compact and comminution of the compact. The granules are then compressed into cubes having a density of 5.0 to 5.3 grams per cubic centimeter. The cubes are tumbled to form spheres by attrition, and the spheres are then fired at 1250 to 1350 deg C. The fired spheres are then polished and fired at a temperature above 1650 deg C to obtain high density. Spherical pellets produced by this method are highly resistant to mechanical attrition hy water. (AEC)

  13. SPHERES National Lab Facility

    NASA Technical Reports Server (NTRS)

    Benavides, Jose

    2014-01-01

    SPHERES is a facility of the ISS National Laboratory with three IVA nano-satellites designed and delivered by MIT to research estimation, control, and autonomy algorithms. Since Fall 2010, The SPHERES system is now operationally supported and managed by NASA Ames Research Center (ARC). A SPHERES Program Office was established and is located at NASA Ames Research Center. The SPHERES Program Office coordinates all SPHERES related research and STEM activities on-board the International Space Station (ISS), as well as, current and future payload development. By working aboard ISS under crew supervision, it provides a risk tolerant Test-bed Environment for Distributed Satellite Free-flying Control Algorithms. If anything goes wrong, reset and try again! NASA has made the capability available to other U.S. government agencies, schools, commercial companies and students to expand the pool of ideas for how to test and use these bowling ball-sized droids. For many of the researchers, SPHERES offers the only opportunity to do affordable on-orbit characterization of their technology in the microgravity environment. Future utilization of SPHERES as a facility will grow its capabilities as a platform for science, technology development, and education.

  14. Experiment SPHERE status 2008

    NASA Astrophysics Data System (ADS)

    Shaulov, S. B.; Besshapov, S. P.; Kabanova, N. V.; Sysoeva, T. I.; Antonov, R. A.; Anyuhina, A. M.; Bronvech, E. A.; Chernov, D. V.; Galkin, V. I.; Tkaczyk, W.; Finger, M.; Sonsky, M.

    2009-12-01

    The expedition carried out in March, 2008 to Lake Baikal became an important stage in the development of the SPHERE experiment. During the expedition the SPHERE-2 installation was hoisted, for the first time, on a tethered balloon, APA, to a height of 700 m over the lake surface covered with ice and snow. A series of test measurements were made. Preliminary results of the data processing are presented. The next plan of the SPHERE experiment is to begin a set of statistics for constructing the CR spectrum in the energy range 10-10 eV.

  15. Electromagnetically revolving sphere viscometer

    NASA Astrophysics Data System (ADS)

    Hosoda, Maiko; Sakai, Keiji

    2014-12-01

    In this paper, we propose a new method of low viscosity measurement, in which the rolling of a probe sphere on the flat solid bottom of a sample cell is driven remotely and the revolution speed of the probe in a sample liquid gives the viscosity measurements. The principle of this method is based on the electromagnetically spinning technique that we developed, and the method is effective especially for viscosity measurements at levels below 100 mPa·s with an accuracy higher than 1%. The probe motion is similar to that in the well-known rolling sphere (ball) method. However, our system enables a steady and continuous measurement of viscosity, which is problematic using the conventional method. We also discuss the limits of the measurable viscosity range common to rolling-sphere-type viscometers by considering the accelerating motion of a probe sphere due to gravity, and we demonstrate the performance of our methods.

  16. Catalytic hollow spheres

    NASA Technical Reports Server (NTRS)

    Wang, Taylor G. (Inventor); Elleman, Daniel D. (Inventor); Lee, Mark C. (Inventor); Kendall, Jr., James M. (Inventor)

    1986-01-01

    The improved, heterogeneous catalysts are in the form of gas-impervious, hollow, thin-walled spheres (10) suitably formed of a shell (12) of metal such as aluminum having a cavity (14) containing a gas at a pressure greater than atmospheric pressure. The wall material may be, itself, catalytic or the catalyst can be coated onto the sphere as a layer (16), suitably platinum or iron, which may be further coated with a layer (18) of activator or promoter. The density of the spheres (30) can be uniformly controlled to a preselected value within .+-.10 percent of the density of the fluid reactant such that the spheres either remain suspended or slowly fall or rise through the liquid reactant.

  17. Catalytic hollow spheres

    NASA Technical Reports Server (NTRS)

    Wang, Taylor G. (Inventor); Elleman, Daniel D. (Inventor); Lee, Mark C. (Inventor); Kendall, Jr., James M. (Inventor)

    1989-01-01

    The improved, heterogeneous catalysts are in the form of gas-impervious, hollow, thin-walled spheres (10) suitably formed of a shell (12) of metal such as aluminum having a cavity (14) containing a gas at a pressure greater than atmospheric pressure. The wall material may be, itself, catalytic or the catalyst can be coated onto the sphere as a layer (16), suitably platinum or iron, which may be further coated with a layer (18) of activator or promoter. The density of the spheres (30) can be uniformly controlled to a preselected value within .+-.10 percent of the density of the fluid reactant such that the spheres either remain suspended or slowly fall or rise through the liquid reactant.

  18. Catalytic, hollow, refractory spheres

    NASA Technical Reports Server (NTRS)

    Wang, Taylor G. (Inventor); Elleman, Daniel D. (Inventor); Lee, Mark C. (Inventor); Kendall, Jr., James M. (Inventor)

    1987-01-01

    Improved, heterogeneous, refractory catalysts are in the form of gas-impervious, hollow, thin-walled spheres (10) suitable formed of a shell (12) of refractory such as alumina having a cavity (14) containing a gas at a pressure greater than atmospheric pressure. The wall material may be itself catalytic or a catalytically active material coated onto the sphere as a layer (16), suitably platinum or iron, which may be further coated with a layer (18) of activator or promoter. The density of the spheres (30) can be uniformly controlled to a preselected value within .+-.10 percent of the density of the fluid reactant such that the spheres either remain suspended or slowly fall or rise through the liquid reactant.

  19. ISS Update: Smart SPHERES

    NASA Video Gallery

    NASA Public Affairs Officer Kelly Humphries conducts a phone interview with Mark Micire, SPHERES Engineering Manager at Ames Research Center. Questions? Ask us on Twitter @NASA_Johnson and include ...

  20. Affine Sphere Relativity

    NASA Astrophysics Data System (ADS)

    Minguzzi, E.

    2017-03-01

    We investigate spacetimes whose light cones could be anisotropic. We prove the equivalence of the structures: (a) Lorentz-Finsler manifold for which the mean Cartan torsion vanishes, (b) Lorentz-Finsler manifold for which the indicatrix (observer space) at each point is a convex hyperbolic affine sphere centered on the zero section, and (c) pair given by a spacetime volume and a sharp convex cone distribution. The equivalence suggests to describe (affine sphere) spacetimes with this structure, so that no algebraic-metrical concept enters the definition. As a result, this work shows how the metric features of spacetime emerge from elementary concepts such as measure and order. Non-relativistic spacetimes are obtained replacing proper spheres with improper spheres, so the distinction does not call for group theoretical elements. In physical terms, in affine sphere spacetimes the light cone distribution and the spacetime measure determine the motion of massive and massless particles (hence the dispersion relation). Furthermore, it is shown that, more generally, for Lorentz-Finsler theories non-differentiable at the cone, the lightlike geodesics and the transport of the particle momentum over them are well defined, though the curve parametrization could be undefined. Causality theory is also well behaved. Several results for affine sphere spacetimes are presented. Some results in Finsler geometry, for instance in the characterization of Randers spaces, are also included.

  1. Chinese Armillary Spheres

    NASA Astrophysics Data System (ADS)

    Sun, Xiaochun

    The armillary sphere was perhaps the most important type of astronomical instrument in ancient China. It was first invented by Luoxia Hong in the first century BC. After Han times, the structure of the armillary sphere became increasingly sophisticated by including more and more rings representing various celestial movements as recognized by the Chinese astronomers. By the eighth century, the Chinese armillary sphere consisted of three concentric sets of rings revolving on the south-north polar axis. The relative position of the rings could be adjusted to reflect the precession of the equinoxes and the regression of the Moon's nodes along the ecliptic. To counterbalance the defect caused by too many rings, Guo Shoujing from the late thirteenth century constructed the Simplified Instruments which reorganized the rings of the armillary sphere into separate instruments for measuring equatorial coordinates and horizontal coordinates. The armillary sphere was still preserved because it was a good illustration of celestial movements. A fifteenth-century replica of Guo Shoujing's armillary sphere still exists today.

  2. Transition.

    ERIC Educational Resources Information Center

    Thompson, Sandy, Ed.; And Others

    1990-01-01

    This "feature issue" focuses on transition from school to adult life for persons with disabilities. Included are "success stories," brief program descriptions, and a list of resources. Individual articles include the following titles and authors: "Transition: An Energizing Concept" (Paul Bates); "Transition…

  3. Multiple CubicBezier Curves.

    ERIC Educational Resources Information Center

    Khonsari, Michael M.; Horn, Douglas

    1990-01-01

    An algorithm is described for generating smooth curves of first-order continuity. The algorithm is composed of several cubic Bezier curves joined together at the user defined control points. Introduced is a tension control parameter which can be set thus providing additional flexibility in the design of free-form curves. (KR)

  4. Cubic Unit Cell Construction Kit.

    ERIC Educational Resources Information Center

    Mattson, Bruce

    2000-01-01

    Presents instructions for building a simple interactive unit-cell construction kit that allows for the construction of simple, body-centered, and face-centered cubic lattices. The lit is built from inexpensive and readily available materials and can be built in any number of sizes. (WRM)

  5. Cubication of Conservative Nonlinear Oscillators

    ERIC Educational Resources Information Center

    Belendez, Augusto; Alvarez, Mariela L.; Fernandez, Elena; Pascual, Immaculada

    2009-01-01

    A cubication procedure of the nonlinear differential equation for conservative nonlinear oscillators is analysed and discussed. This scheme is based on the Chebyshev series expansion of the restoring force, and this allows us to approximate the original nonlinear differential equation by a Duffing equation in which the coefficients for the linear…

  6. Soft-mode spectroscopy in cubic (Ba0.8Sr0.2)Ti0.95(Zn1/3Nb2/3)0.05O3 by hyper-Raman scattering and the mechanism of the phase transition

    NASA Astrophysics Data System (ADS)

    Nabil, Dhifallah; Hehlen, Bernard; El Marssi, Mimoun; Mohamed, Dammak; Khemakhem, Hamadi

    2016-12-01

    This paper presents a survey of soft modes and their relationship to structural phase transitions. After introducing the concept of a soft mode, the origin of softening is considered from a lattice-dynamical point. The Landau theory approach to structural transitions is then discussed, followed by a generalization of the soft-mode concept through the use of the dynamic order-parameter susceptibility. The hyper-Raman spectra in the cubic phase of (Ba0.8Sr0.2)Ti0.95(Zn1/3Nb2/3)0.05O3 are studied with special emphasis on the lowest-frequency phonon mode. The spectral structure is found to change above the Curie temperature (303-873 K). Soft modes were put forward by Cochran and Anderson about 50 years ago as an explanation of structural phase transitions. Extending Landau's theory of phase transitions, their prediction was that the square of the frequency of the soft mode was proportional to ω0 (T) = C √{ T - TC } where Tc is the transition temperature.

  7. Superconductivity in cubic noncentrosymmetric PdBiSe Crystal

    NASA Astrophysics Data System (ADS)

    Joshi, B.; Thamizhavel, A.; Ramakrishnan, S.

    2015-03-01

    Mixing of spin singlet and spin triplet superconducting pairing state is expected in noncentrosymmetric superconductors (NCS) due to the inherent presence of Rashba-type antisymmetric spin-orbit coupling. Unlike low symmetry (tetragonal or monoclinic) NCS, parity is isotropicaly broken in space for cubic NCS and can additionally lead to the coexistence of magnetic and superconducting state under certain conditions. Motivated with such enriched possibility of unconventional superconducting phases in cubic NCS we are reporting successful formation of single crystalline cubic noncentrosymmetric PdBiSe with lattice parameter a = 6.4316 Å and space group P21 3 (space group no. 198) which undergoes to superconducting transition state below 1.8 K as measured by electrical transport and AC susceptibility measurements. Significant strength of Rashba-type antisymmetric spin-orbit coupling can be expected for PdBiSe due to the presence of high Z (atomic number) elements consequently making it potential candidate for unconventional superconductivity.

  8. Maximizing cubic phase gallium nitride surface coverage on nano-patterned silicon (100)

    NASA Astrophysics Data System (ADS)

    Liu, R.; Bayram, C.

    2016-07-01

    Here we investigate the hexagonal-to-cubic phase transition in metalorganic-chemical-vapor-deposition-grown gallium nitride enabled via silicon (100) nano-patterning. Electron backscatter diffraction and depth-resolved cathodoluminescence experiments show complete cubic phase GaN surface coverage when GaN deposition thickness ( hc ), etch depth ( td ), and opening width ( p ) obey hc≈1.06 p -0.75 td ; in line with a geometrical model based on crystallography. Cubic GaN uniformity is studied via electron backscatter diffraction and cathodoluminescence measurements. Atomic force microscopy reveals a smooth cubic GaN surface. Phase-transition cubic GaN shows promising optical and structural quality for integrated photonic devices.

  9. Diagnosis of a poorly performing liquid hydrogen bulk storage sphere

    NASA Astrophysics Data System (ADS)

    Krenn, Angela Gray

    2012-06-01

    There are two 3,218 cubic meter (850,000 gallon) Liquid Hydrogen (LH2) storage spheres used to support the Space Shuttle Program; one residing at Launch Pad A, the other at Launch Pad B. The Sphere at Pad B had a high boiloff rate when brought into service in the 1960s. In 2001, the daily commodity loss was approximately double that of the Pad A sphere, and well above the maximum allowed by the specification. After being re-painted in the 1990s a "cold spot" appeared on the outer sphere that resulted in poor paint bonding and mold formation. Thermography was used to characterize the area, and the boiloff rate was continually evaluated. All evidence suggested that the high boiloff rate was caused by an excessive heat leak into the inner sphere due to an insulation void in the annulus. Pad B was recently taken out of service, which provided a unique opportunity to perform a series of visual inspections of the insulation. Boroscope examinations revealed a large Perlite void in the region where the cold spot was apparent. Perlite was then trucked in and offloaded into the annular void region until full. The sphere has not yet been brought back into service.

  10. The Moyal sphere

    NASA Astrophysics Data System (ADS)

    Eckstein, Michał; Sitarz, Andrzej; Wulkenhaar, Raimar

    2016-11-01

    We construct a family of constant curvature metrics on the Moyal plane and compute the Gauss-Bonnet term for each of them. They arise from the conformal rescaling of the metric in the orthonormal frame approach. We find a particular solution, which corresponds to the Fubini-Study metric and which equips the Moyal algebra with the geometry of a noncommutative sphere.

  11. Cubic Icosahedra? A Problem in Assigning Symmetry

    ERIC Educational Resources Information Center

    Lloyd, D. R.

    2010-01-01

    There is a standard convention that the icosahedral groups are classified separately from the cubic groups, but these two symmetry types have been conflated as "cubic" in some chemistry textbooks. In this note, the connection between cubic and icosahedral symmetries is examined, using a simple pictorial model. It is shown that octahedral and…

  12. Solving Cubic Equations by Polynomial Decomposition

    ERIC Educational Resources Information Center

    Kulkarni, Raghavendra G.

    2011-01-01

    Several mathematicians struggled to solve cubic equations, and in 1515 Scipione del Ferro reportedly solved the cubic while participating in a local mathematical contest, but did not bother to publish his method. Then it was Cardano (1539) who first published the solution to the general cubic equation in his book "The Great Art, or, The Rules of…

  13. Storing Chemicals in Packed Spheres

    NASA Technical Reports Server (NTRS)

    Wang, T. G.; Elleman, D. D.

    1986-01-01

    Reactants released by crushing or puncturing. Agglomerated gas-filled spheres hexagonally close packed and sintered or glued together into rods strung together at ends. Rods fed into crushing machine to release material in spheres as needed.

  14. Size-dependent shape and tilt transitions in In2O3 nanoislands grown on cubic Y-stabilized ZrO2(001) by molecular beam epitaxy.

    PubMed

    Zhang, Kelvin H L; Bourlange, Anne; Egdell, Russell G; Collins, Stephen P; Bean, Richard J; Robinson, Ian K; Cowley, Roger A

    2012-08-28

    The growth of In(2)O(3) on cubic Y-stabilized ZrO(2)(001) by molecular beam epitaxy leads to formation of nanoscale islands which may tilt relative to the substrate in order to help accommodate the 1.7% tensile mismatch between the epilayer and the substrate. High-resolution synchrotron-based X-ray diffraction has been used in combination with atomic force microscopy to probe the evolution in island morphology, orientation, and tilt with island size. Very small islands formed at low substrate coverage are highly strained but exhibit no tilt, while intermediate islands are tilted randomly in all directions, giving rise to distinctive doughnut-shaped structure in three-dimensional reciprocal space isosurfaces. The largest islands with lateral sizes on the order of 1 μm tilt away from the four equivalent in-plane <110> directions, giving three-dimensional scattering isosurfaces dominated by structure at the four corners of a square. Spatially resolved reciprocal space mapping using an X-ray beam with dimensions on the order of 1 μm suggests that the four-fold symmetry observed using a larger beam arises from averaging over an ensemble of islands, each with an individual tilt down one direction, rather than from the coexistence of differently tilted domains within a given island.

  15. Sticky surface: sphere-sphere adhesion dynamics

    PubMed Central

    Sircar, Sarthok; Younger, John G.; Bortz, David M.

    2014-01-01

    We present a multi-scale model to study the attachment of spherical particles with a rigid core, coated with binding ligands and suspended in the surrounding, quiescent fluid medium. This class of fluid-immersed adhesion is widespread in many natural and engineering settings, particularly in microbial surface adhesion. Our theory highlights how the micro-scale binding kinetics of these ligands, as well as the attractive / repulsive surface potential in an ionic medium affects the eventual macro-scale size distribution of the particle aggregates (flocs). The bridge between the micro-macro model is made via an aggregation kernel. Results suggest that the presence of elastic ligands on the particle surface lead to the formation of larger floc aggregates via efficient inter-floc collisions (i.e., non-zero sticking probability, g). Strong electrolytic composition of the surrounding fluid favors large floc formation as well. The kernel for the Brownian diffusion for hard spheres is recovered in the limit of perfect binding effectiveness (g → 1) and in a neutral solution with no dissolved salts. PMID:25159830

  16. Chemical potential of a test hard sphere of variable size in a hard-sphere fluid

    NASA Astrophysics Data System (ADS)

    Heyes, David M.; Santos, Andrés

    2016-12-01

    The Labík and Smith Monte Carlo simulation technique to implement the Widom particle insertion method is applied using Molecular Dynamics (MD) instead to calculate numerically the insertion probability, P0(η ,σ0) , of tracer hard-sphere (HS) particles of different diameters, σ0, in a host HS fluid of diameter σ and packing fraction, η , up to 0.5. It is shown analytically that the only polynomial representation of -ln ⁡P0 (η ,σ0) consistent with the limits σ0→0 and σ0→∞ has necessarily a cubic form, c0(η ) +c1(η ) σ0 /σ +c2(η ) (σ0/σ ) 2 +c3(η ) (σ0/σ ) 3 . Our MD data for -ln ⁡P0 (η ,σ0) are fitted to such a cubic polynomial and the functions c0(η ) and c1(η ) are found to be statistically indistinguishable from their exact solution forms. Similarly, c2(η ) and c3(η ) agree very well with the Boublík-Mansoori-Carnahan-Starling-Leland and Boublík-Carnahan-Starling-Kolafa formulas. The cubic polynomial is extrapolated (high density) or interpolated (low density) to obtain the chemical potential of the host fluid, or σ0→σ , as β μex =c0+c1+c2+c3 . Excellent agreement between the Carnahan-Starling and Carnahan-Starling-Kolafa theories with our MD data is evident.

  17. Packings of a charged line on a sphere

    NASA Astrophysics Data System (ADS)

    Alben, Silas

    2008-12-01

    We find equilibrium configurations of open and closed lines of charge on a sphere, and track them with respect to varying sphere radius. Closed lines transition from a circle to a spiral-like shape through two low-wave-number bifurcations—“baseball seam” and “twist”—which minimize Coulomb energy. The spiral shape is the unique stable equilibrium of the closed line. Other unstable equilibria arise through tip-splitting events. An open line transitions smoothly from an arc of a great circle to a spiral as the sphere radius decreases. Under repulsive potentials with faster-than-Coulomb power-law decay, the spiral is tighter in initial stages of sphere shrinkage, but at later stages of shrinkage the equilibria for all repulsive potentials converge on a spiral with uniform spacing between turns. Multiple stable equilibria of the open line are observed.

  18. Photon-pair generation in arrays of cubic nonlinear waveguides.

    PubMed

    Solntsev, Alexander S; Sukhorukov, Andrey A; Neshev, Dragomir N; Kivshar, Yuri S

    2012-11-19

    We study photon-pair generation in arrays of cubic nonlinear waveguides through spontaneous four-wave mixing. We analyze numerically the quantum statistics of photon pairs at the array output as a function of waveguide dispersion and pump beam power. We show flexible spatial quantum state control such as pump-power-controlled transition between bunching and anti-bunching correlations due to nonlinear self-focusing.

  19. Weighted cubic and biharmonic splines

    NASA Astrophysics Data System (ADS)

    Kvasov, Boris; Kim, Tae-Wan

    2017-01-01

    In this paper we discuss the design of algorithms for interpolating discrete data by using weighted cubic and biharmonic splines in such a way that the monotonicity and convexity of the data are preserved. We formulate the problem as a differential multipoint boundary value problem and consider its finite-difference approximation. Two algorithms for automatic selection of shape control parameters (weights) are presented. For weighted biharmonic splines the resulting system of linear equations can be efficiently solved by combining Gaussian elimination with successive over-relaxation method or finite-difference schemes in fractional steps. We consider basic computational aspects and illustrate main features of this original approach.

  20. Parallel sphere rendering

    SciTech Connect

    Krogh, M.; Painter, J.; Hansen, C.

    1996-10-01

    Sphere rendering is an important method for visualizing molecular dynamics data. This paper presents a parallel algorithm that is almost 90 times faster than current graphics workstations. To render extremely large data sets and large images, the algorithm uses the MIMD features of the supercomputers to divide up the data, render independent partial images, and then finally composite the multiple partial images using an optimal method. The algorithm and performance results are presented for the CM-5 and the M.

  1. Absolute multilateration between spheres

    NASA Astrophysics Data System (ADS)

    Muelaner, Jody; Wadsworth, William; Azini, Maria; Mullineux, Glen; Hughes, Ben; Reichold, Armin

    2017-04-01

    Environmental effects typically limit the accuracy of large scale coordinate measurements in applications such as aircraft production and particle accelerator alignment. This paper presents an initial design for a novel measurement technique with analysis and simulation showing that that it could overcome the environmental limitations to provide a step change in large scale coordinate measurement accuracy. Referred to as absolute multilateration between spheres (AMS), it involves using absolute distance interferometry to directly measure the distances between pairs of plain steel spheres. A large portion of each sphere remains accessible as a reference datum, while the laser path can be shielded from environmental disturbances. As a single scale bar this can provide accurate scale information to be used for instrument verification or network measurement scaling. Since spheres can be simultaneously measured from multiple directions, it also allows highly accurate multilateration-based coordinate measurements to act as a large scale datum structure for localized measurements, or to be integrated within assembly tooling, coordinate measurement machines or robotic machinery. Analysis and simulation show that AMS can be self-aligned to achieve a theoretical combined standard uncertainty for the independent uncertainties of an individual 1 m scale bar of approximately 0.49 µm. It is also shown that combined with a 1 µm m‑1 standard uncertainty in the central reference system this could result in coordinate standard uncertainty magnitudes of 42 µm over a slender 1 m by 20 m network. This would be a sufficient step change in accuracy to enable next generation aerospace structures with natural laminar flow and part-to-part interchangeability.

  2. Dendritic Growth of Hard-Sphere Crystals. Experiment 34

    NASA Technical Reports Server (NTRS)

    Russel, W. B.; Chaikin, P. M.; Zhu, Ji-Xiang; Meyer, W. V.; Rogers, R.

    1998-01-01

    Recent observations of the disorder-order transition for colloidal hard spheres under microgravity revealed dendritic crystallites roughly 1-2 mm in size for samples in the coexistence region of the phase diagram. Order-of-magnitude estimates rationalize the absence of large or dendritic crystals under normal gravity and their stability to annealing in microgravity. A linear stability analysis of the Ackerson and Schaetzel model for crystallization of hard spheres establishes the domain of instability for diffusion-limited growth at small supersaturations. The relationship between hard-sphere and molecular crystal growth is established and exploited to relate the predicted linear instability to the well-developed dendrites observed.

  3. Hardness of cubic solid solutions

    PubMed Central

    Gao, Faming

    2017-01-01

    We demonstrate that a hardening rule exists in cubic solid solutions with various combinations of ionic, covalent and metallic bonding. It is revealed that the hardening stress ∆τFcg is determined by three factors: shear modulus G, the volume fraction of solute atoms fv, and the size misfit degree δb. A simple hardening correlation in KCl-KBr solid-solution is proposed as ∆τFcg = 0.27 G. It is applied to calculate the hardening behavior of the Ag-Au, KCl-KBr, InP-GaP, TiN-TiC, HfN-HfC, TiC-NbC and ZrC-NbC solid-solution systems. The composition dependence of hardness is elucidated quantitatively. The BN-BP solid-solution system is quantitatively predicted. We find a hardening plateau region around the x = 0.55–0.85 in BNxP1−x, where BNxP1−x solid solutions are far harder than cubic BN. Because the prediction is quantitative, it sets the stage for a broad range of applications. PMID:28054659

  4. Transparent polycrystalline cubic silicon nitride.

    PubMed

    Nishiyama, Norimasa; Ishikawa, Ryo; Ohfuji, Hiroaki; Marquardt, Hauke; Kurnosov, Alexander; Taniguchi, Takashi; Kim, Byung-Nam; Yoshida, Hidehiro; Masuno, Atsunobu; Bednarcik, Jozef; Kulik, Eleonora; Ikuhara, Yuichi; Wakai, Fumihiro; Irifune, Tetsuo

    2017-03-17

    Glasses and single crystals have traditionally been used as optical windows. Recently, there has been a high demand for harder and tougher optical windows that are able to endure severe conditions. Transparent polycrystalline ceramics can fulfill this demand because of their superior mechanical properties. It is known that polycrystalline ceramics with a spinel structure in compositions of MgAl2O4 and aluminum oxynitride (γ-AlON) show high optical transparency. Here we report the synthesis of the hardest transparent spinel ceramic, i.e. polycrystalline cubic silicon nitride (c-Si3N4). This material shows an intrinsic optical transparency over a wide range of wavelengths below its band-gap energy (258 nm) and is categorized as one of the third hardest materials next to diamond and cubic boron nitride (cBN). Since the high temperature metastability of c-Si3N4 in air is superior to those of diamond and cBN, the transparent c-Si3N4 ceramic can potentially be used as a window under extremely severe conditions.

  5. Vacancy Relaxation in Cubic Crystals

    NASA Technical Reports Server (NTRS)

    Girifalco, L. A.; Weizer, V. G.

    1960-01-01

    The configuration of the atoms surrounding a vacancy in four face-centered cubic and three body-centered cubic metals has been computed, using a pairwise, central-force model in which the energy of interaction between two atoms was taken to have the form of a Morse function. Only radial relaxations were considered. The first and second nearest-neighbor relaxations for the face-centered systems were found to be: Pb (1.42,-0.43), Ni (2.14,-0.39), Cu(2.24,-0.40) and Ca (2.73,-0.41, expressed in percentages of normal distances. For the body-centered systems the relaxations out to the fourth nearest neighbors to the vacancy were: Fe (6.07,-2.12, -0.25, -), Ba (7.85, -2.70, 0.70, -0.33) and Na (10.80, -3.14, 3.43, -0.20). The positive signs indicate relaxation toward the vacancy and the negative signs indicate relaxation away from the vacancy. The energies of relaxation (eV) are: Pb (0.162), Ni (0.626), Cu (0.560), Ca (0.400), Fe (1.410), Ba (0.950) and Na (0.172).

  6. Transparent polycrystalline cubic silicon nitride

    NASA Astrophysics Data System (ADS)

    Nishiyama, Norimasa; Ishikawa, Ryo; Ohfuji, Hiroaki; Marquardt, Hauke; Kurnosov, Alexander; Taniguchi, Takashi; Kim, Byung-Nam; Yoshida, Hidehiro; Masuno, Atsunobu; Bednarcik, Jozef; Kulik, Eleonora; Ikuhara, Yuichi; Wakai, Fumihiro; Irifune, Tetsuo

    2017-03-01

    Glasses and single crystals have traditionally been used as optical windows. Recently, there has been a high demand for harder and tougher optical windows that are able to endure severe conditions. Transparent polycrystalline ceramics can fulfill this demand because of their superior mechanical properties. It is known that polycrystalline ceramics with a spinel structure in compositions of MgAl2O4 and aluminum oxynitride (γ-AlON) show high optical transparency. Here we report the synthesis of the hardest transparent spinel ceramic, i.e. polycrystalline cubic silicon nitride (c-Si3N4). This material shows an intrinsic optical transparency over a wide range of wavelengths below its band-gap energy (258 nm) and is categorized as one of the third hardest materials next to diamond and cubic boron nitride (cBN). Since the high temperature metastability of c-Si3N4 in air is superior to those of diamond and cBN, the transparent c-Si3N4 ceramic can potentially be used as a window under extremely severe conditions.

  7. Transparent polycrystalline cubic silicon nitride

    PubMed Central

    Nishiyama, Norimasa; Ishikawa, Ryo; Ohfuji, Hiroaki; Marquardt, Hauke; Kurnosov, Alexander; Taniguchi, Takashi; Kim, Byung-Nam; Yoshida, Hidehiro; Masuno, Atsunobu; Bednarcik, Jozef; Kulik, Eleonora; Ikuhara, Yuichi; Wakai, Fumihiro; Irifune, Tetsuo

    2017-01-01

    Glasses and single crystals have traditionally been used as optical windows. Recently, there has been a high demand for harder and tougher optical windows that are able to endure severe conditions. Transparent polycrystalline ceramics can fulfill this demand because of their superior mechanical properties. It is known that polycrystalline ceramics with a spinel structure in compositions of MgAl2O4 and aluminum oxynitride (γ-AlON) show high optical transparency. Here we report the synthesis of the hardest transparent spinel ceramic, i.e. polycrystalline cubic silicon nitride (c-Si3N4). This material shows an intrinsic optical transparency over a wide range of wavelengths below its band-gap energy (258 nm) and is categorized as one of the third hardest materials next to diamond and cubic boron nitride (cBN). Since the high temperature metastability of c-Si3N4 in air is superior to those of diamond and cBN, the transparent c-Si3N4 ceramic can potentially be used as a window under extremely severe conditions. PMID:28303948

  8. Hardness of cubic solid solutions

    NASA Astrophysics Data System (ADS)

    Gao, Faming

    2017-01-01

    We demonstrate that a hardening rule exists in cubic solid solutions with various combinations of ionic, covalent and metallic bonding. It is revealed that the hardening stress ∆τFcg is determined by three factors: shear modulus G, the volume fraction of solute atoms fv, and the size misfit degree δb. A simple hardening correlation in KCl-KBr solid-solution is proposed as ∆τFcg = 0.27 G. It is applied to calculate the hardening behavior of the Ag-Au, KCl-KBr, InP-GaP, TiN-TiC, HfN-HfC, TiC-NbC and ZrC-NbC solid-solution systems. The composition dependence of hardness is elucidated quantitatively. The BN-BP solid-solution system is quantitatively predicted. We find a hardening plateau region around the x = 0.55–0.85 in BNxP1‑x, where BNxP1‑x solid solutions are far harder than cubic BN. Because the prediction is quantitative, it sets the stage for a broad range of applications.

  9. Parallel sphere rendering

    SciTech Connect

    Krogh, M.; Hansen, C.; Painter, J.; de Verdiere, G.C.

    1995-05-01

    Sphere rendering is an important method for visualizing molecular dynamics data. This paper presents a parallel divide-and-conquer algorithm that is almost 90 times faster than current graphics workstations. To render extremely large data sets and large images, the algorithm uses the MIMD features of the supercomputers to divide up the data, render independent partial images, and then finally composite the multiple partial images using an optimal method. The algorithm and performance results are presented for the CM-5 and the T3D.

  10. Automated reasoning about cubic curves.

    SciTech Connect

    Padmanabhan, R.; McCune, W.; Mathematics and Computer Science; Univ. of Manitoba

    1995-01-01

    It is well known that the n-ary morphisms defined on projective algebraic curves satisfy some strong local-to-global equational rules of derivation not satisfied in general by universal algebras. For example, every rationally defined group law on a cubic curve must be commutative. Here we extract from the geometry of curves a first order property (gL) satisfied by all morphisms defined on these curves such that the equational consequences known for projective curves can be derived automatically from a set of six rules (stated within the first-order logic with equality). First, the rule (gL) is implemented in the theorem-proving program Otter. Then we use Otter to automatically prove some incidence theorems on projective curves without any further reference to the underlying geometry or topology of the curves.

  11. Chemical approach to a new crystal structure: phase control of manganese oxide on a carbon sphere template.

    PubMed

    Nam, Ki Min; Park, Joon T

    2014-12-01

    The stabilization and growth of a non-native structure, hexagonal wurtzite MnO (h-MnO), is explored via kinetic control of manganese precursor on a carbon sphere template. MnO is most stable in the cubic rock-salt structure (c-MnO), and a number of studies have focused on the synthesis and properties of this rock-salt phase. However, h-MnO has not been fully characterized before our work. Prolonged heating at a relatively low temperature yields c-MnO, whereas rapid heating of the reaction mixture at reflux produces h-MnO in the presence of carbon spheres. The effect of benzyl amine concentration on the formation of two different oxidation states (c-MnO and t-Mn3O4) was examined as well. Moreover, the structural stability of the manganese oxides and phase transition of MnO in terms of the wurtzite to rock-salt structural transformation have been investigated.

  12. Determination of transition metal ion distribution in cubic spinel Co{sub 1.5}Fe{sub 1.5}O{sub 4} using anomalous x-ray diffraction

    SciTech Connect

    Singh, M. N.; Sinha, A. K. Ghosh, Haranath

    2015-08-15

    We report anomalous x-ray diffraction studies on Co ferrite with composition Co{sub 1.5}Fe{sub 1.5}O{sub 4} to obtain the distribution of transition metal ions in tetrahedral and octahedral sites. We synthesize spinel oxide (Co{sub 1.5}Fe{sub 1.5}O{sub 4}) through co-precipitation and subsequent annealing route. The imaginary part (absorption) of the energy dependent anomalous form factor is measured and the real part is calculated theoretically through Kramers–Krönig transformation to analyze anomalous x-ray diffraction peak intensities. Fe and Co K-edge x-ray absorption near edge structure (XANES) spectra are used to estimate charge states of transition metals. Our analysis, within experimental errors, suggests 44% of the tetrahedral sites contain Co in +2 oxidation state and the rest 56% sites contain Fe in +2 and +3 oxidation states. Similarly, 47% of the octahedral sites contain Fe in +3 oxidation states, whereas, the rest of the sites contain Co in +2 and +3 oxidation states. While a distinct pre-edge feature in the Fe K-edge XANES is observed, Co pre-edge remains featureless. Implications of these results to magnetism are briefly discussed.

  13. Phase diagram of highly asymmetric binary hard-sphere mixtures.

    PubMed

    Dijkstra, M; van Roij, R; Evans, R

    1999-05-01

    We study the phase behavior and structure of highly asymmetric binary hard-sphere mixtures. By first integrating out the degrees of freedom of the small spheres in the partition function we derive a formal expression for the effective Hamiltonian of the large spheres. Then using an explicit pairwise (depletion) potential approximation to this effective Hamiltonian in computer simulations, we determine fluid-solid coexistence for size ratios q=0.033, 0.05, 0.1, 0.2, and 1.0. The resulting two-phase region becomes very broad in packing fractions of the large spheres as q becomes very small. We find a stable, isostructural solid-solid transition for q< or =0.05 and a fluid-fluid transition for q< or =0.10. However, the latter remains metastable with respect to the fluid-solid transition for all size ratios we investigate. In the limit q-->0 the phase diagram mimics that of the sticky-sphere system. As expected, the radial distribution function g(r) and the structure factor S(k) of the effective one-component system show no sharp signature of the onset of the freezing transition and we find that at most points on the fluid-solid boundary the value of S(k) at its first peak is much lower than the value given by the Hansen-Verlet freezing criterion. Direct simulations of the true binary mixture of hard spheres were performed for q > or =0.05 in order to test the predictions from the effective Hamiltonian. For those packing fractions of the small spheres where direct simulations are possible, we find remarkably good agreement between the phase boundaries calculated from the two approaches-even up to the symmetric limit q=1 and for very high packings of the large spheres, where the solid-solid transition occurs. In both limits one might expect that an approximation which neglects higher-body terms should fail, but our results support the notion that the main features of the phase equilibria of asymmetric binary hard-sphere mixtures are accounted for by the effective

  14. Interactions between uniformly magnetized spheres

    NASA Astrophysics Data System (ADS)

    Edwards, Boyd F.; Riffe, D. M.; Ji, Jeong-Young; Booth, William A.

    2017-02-01

    We use simple symmetry arguments suitable for undergraduate students to demonstrate that the magnetic energy, forces, and torques between two uniformly magnetized spheres are identical to those between two point magnetic dipoles. These arguments exploit the equivalence of the field outside of a uniformly magnetized sphere with that of a point magnetic dipole, and pertain to spheres of arbitrary sizes, positions, and magnetizations. The point dipole/sphere equivalence for magnetic interactions may be useful in teaching and research, where dipolar approximations for uniformly magnetized spheres can now be considered to be exact. The work was originally motivated by interest in the interactions between collections of small neodymium magnetic spheres used as desk toys.

  15. Coherent states on spheres

    NASA Astrophysics Data System (ADS)

    Hall, Brian C.; Mitchell, Jeffrey J.

    2002-03-01

    We describe a family of coherent states and an associated resolution of the identity for a quantum particle whose classical configuration space is the d-dimensional sphere Sd. The coherent states are labeled by points in the associated phase space T*(Sd). These coherent states are not of Perelomov type but rather are constructed as the eigenvectors of suitably defined annihilation operators. We describe as well the Segal-Bargmann representation for the system, the associated unitary Segal-Bargmann transform, and a natural inversion formula. Although many of these results are in principle special cases of the results of Hall and Stenzel, we give here a substantially different description based on ideas of Thiemann and of Kowalski and Rembieliński. All of these results can be generalized to a system whose configuration space is an arbitrary compact symmetric space. We focus on the sphere case in order to carry out the calculations in a self-contained and explicit way.

  16. Chiral Surface Twists and Skyrmion Stability in Nanolayers of Cubic Helimagnets

    NASA Astrophysics Data System (ADS)

    Leonov, A. O.; Togawa, Y.; Monchesky, T. L.; Bogdanov, A. N.; Kishine, J.; Kousaka, Y.; Miyagawa, M.; Koyama, T.; Akimitsu, J.; Koyama, Ts.; Harada, K.; Mori, S.; McGrouther, D.; Lamb, R.; Krajnak, M.; McVitie, S.; Stamps, R. L.; Inoue, K.

    2016-08-01

    Theoretical analysis and Lorentz transmission electron microscopy (LTEM) investigations in an FeGe wedge demonstrate that chiral twists arising near the surfaces of noncentrosymmetric ferromagnets [Meynell et al., Phys. Rev. B 90, 014406 (2014)] provide a stabilization mechanism for magnetic Skyrmion lattices and helicoids in cubic helimagnet nanolayers. The magnetic phase diagram obtained for freestanding cubic helimagnet nanolayers shows that magnetization processes differ fundamentally from those in bulk cubic helimagnets and are characterized by the first-order transitions between modulated phases. LTEM investigations exhibit a series of hysteretic transformation processes among the modulated phases, which results in the formation of the multidomain patterns.

  17. Chiral Surface Twists and Skyrmion Stability in Nanolayers of Cubic Helimagnets.

    PubMed

    Leonov, A O; Togawa, Y; Monchesky, T L; Bogdanov, A N; Kishine, J; Kousaka, Y; Miyagawa, M; Koyama, T; Akimitsu, J; Koyama, Ts; Harada, K; Mori, S; McGrouther, D; Lamb, R; Krajnak, M; McVitie, S; Stamps, R L; Inoue, K

    2016-08-19

    Theoretical analysis and Lorentz transmission electron microscopy (LTEM) investigations in an FeGe wedge demonstrate that chiral twists arising near the surfaces of noncentrosymmetric ferromagnets [Meynell et al., Phys. Rev. B 90, 014406 (2014)] provide a stabilization mechanism for magnetic Skyrmion lattices and helicoids in cubic helimagnet nanolayers. The magnetic phase diagram obtained for freestanding cubic helimagnet nanolayers shows that magnetization processes differ fundamentally from those in bulk cubic helimagnets and are characterized by the first-order transitions between modulated phases. LTEM investigations exhibit a series of hysteretic transformation processes among the modulated phases, which results in the formation of the multidomain patterns.

  18. Magnetic spheres in microwave cavities

    NASA Astrophysics Data System (ADS)

    Zare Rameshti, Babak; Cao, Yunshan; Bauer, Gerrit E. W.

    2015-06-01

    We apply Mie scattering theory to study the interaction of magnetic spheres with microwaves in cavities beyond the magnetostatic and rotating wave approximations. We demonstrate that both strong and ultrastrong coupling can be realized for stand alone magnetic spheres made from yttrium iron garnet (YIG), acting as an efficient microwave antenna. The eigenmodes of YIG spheres with radii of the order mm display distinct higher angular momentum character that has been observed in experiments.

  19. Slip and flow of hard-sphere colloidal glasses.

    PubMed

    Ballesta, P; Besseling, R; Isa, L; Petekidis, G; Poon, W C K

    2008-12-19

    We study the flow of concentrated hard-sphere colloidal suspensions along smooth, nonstick walls using cone-plate rheometry and simultaneous confocal microscopy. In the glass regime, the global flow shows a transition from Herschel-Bulkley behavior at large shear rate to a characteristic Bingham slip response at small rates, absent for ergodic colloidal fluids. Imaging reveals both the "solid" microstructure during full slip and the local nature of the "slip to shear" transition. Both the local and global flow are described by a phenomenological model, and the associated Bingham slip parameters exhibit characteristic scaling with size and concentration of the hard spheres.

  20. Microstructural characterization of random packings of cubic particles

    PubMed Central

    Malmir, Hessam; Sahimi, Muhammad; Tabar, M. Reza Rahimi

    2016-01-01

    Understanding the properties of random packings of solid objects is of critical importance to a wide variety of fundamental scientific and practical problems. The great majority of the previous works focused, however, on packings of spherical and sphere-like particles. We report the first detailed simulation and characterization of packings of non-overlapping cubic particles. Such packings arise in a variety of problems, ranging from biological materials, to colloids and fabrication of porous scaffolds using salt powders. In addition, packing of cubic salt crystals arise in various problems involving preservation of pavements, paintings, and historical monuments, mineral-fluid interactions, CO2 sequestration in rock, and intrusion of groundwater aquifers by saline water. Not much is known, however, about the structure and statistical descriptors of such packings. We have developed a version of the random sequential addition algorithm to generate such packings, and have computed a variety of microstructural descriptors, including the radial distribution function, two-point probability function, orientational correlation function, specific surface, and mean chord length, and have studied the effect of finite system size and porosity on such characteristics. The results indicate the existence of both spatial and orientational long-range order in the packing, which is more distinctive for higher packing densities. The maximum packing fraction is about 0.57. PMID:27725736

  1. Numerical simulation of negative Magnus force on a rotating sphere

    NASA Astrophysics Data System (ADS)

    Muto, Masaya; Tsubokura, Makoto; Oshima, Nobuyuki

    2010-11-01

    Flow characteristics and fluid force on a sphere rotating along with axis perpendicular to mean air flow were investigated using Large Eddy Simulation at two different Reynolds numbers of 10,000 and 200,000. As a result of simulation, opposite flow characteristics around the sphere and displacement of the separation point were visualized depending on the Reynolds number even though the sphere rotates at the same rotation speed according to the Reynolds number. When Reynolds number is 10,000, flow characteristics agree with the flow field explained in the Magnus effect. However sphere rotates at the same rotation speed while increasing Reynolds number to 200,000, separation point moves in opposite direction and wake appears in the different direction. The reason of the negative Magnus force was discussed in terms of the boundary layer transition on the surface.

  2. Panoramic stereo sphere vision

    NASA Astrophysics Data System (ADS)

    Feng, Weijia; Zhang, Baofeng; Röning, Juha; Zong, Xiaoning; Yi, Tian

    2013-01-01

    Conventional stereo vision systems have a small field of view (FOV) which limits their usefulness for certain applications. While panorama vision is able to "see" in all directions of the observation space, scene depth information is missed because of the mapping from 3D reference coordinates to 2D panoramic image. In this paper, we present an innovative vision system which builds by a special combined fish-eye lenses module, and is capable of producing 3D coordinate information from the whole global observation space and acquiring no blind area 360°×360° panoramic image simultaneously just using single vision equipment with one time static shooting. It is called Panoramic Stereo Sphere Vision (PSSV). We proposed the geometric model, mathematic model and parameters calibration method in this paper. Specifically, video surveillance, robotic autonomous navigation, virtual reality, driving assistance, multiple maneuvering target tracking, automatic mapping of environments and attitude estimation are some of the applications which will benefit from PSSV.

  3. Cubic spline functions for curve fitting

    NASA Technical Reports Server (NTRS)

    Young, J. D.

    1972-01-01

    FORTRAN cubic spline routine mathematically fits curve through given ordered set of points so that fitted curve nearly approximates curve generated by passing infinite thin spline through set of points. Generalized formulation includes trigonometric, hyperbolic, and damped cubic spline fits of third order.

  4. Thermodynamics and simulation of hard-sphere fluid and solid: Kinetic Monte Carlo method versus standard Metropolis scheme

    NASA Astrophysics Data System (ADS)

    Ustinov, E. A.

    2017-01-01

    The paper aims at a comparison of techniques based on the kinetic Monte Carlo (kMC) and the conventional Metropolis Monte Carlo (MC) methods as applied to the hard-sphere (HS) fluid and solid. In the case of the kMC, an alternative representation of the chemical potential is explored [E. A. Ustinov and D. D. Do, J. Colloid Interface Sci. 366, 216 (2012)], which does not require any external procedure like the Widom test particle insertion method. A direct evaluation of the chemical potential of the fluid and solid without thermodynamic integration is achieved by molecular simulation in an elongated box with an external potential imposed on the system in order to reduce the particle density in the vicinity of the box ends. The existence of rarefied zones allows one to determine the chemical potential of the crystalline phase and substantially increases its accuracy for the disordered dense phase in the central zone of the simulation box. This method is applicable to both the Metropolis MC and the kMC, but in the latter case, the chemical potential is determined with higher accuracy at the same conditions and the number of MC steps. Thermodynamic functions of the disordered fluid and crystalline face-centered cubic (FCC) phase for the hard-sphere system have been evaluated with the kinetic MC and the standard MC coupled with the Widom procedure over a wide range of density. The melting transition parameters have been determined by the point of intersection of the pressure-chemical potential curves for the disordered HS fluid and FCC crystal using the Gibbs-Duhem equation as a constraint. A detailed thermodynamic analysis of the hard-sphere fluid has provided a rigorous verification of the approach, which can be extended to more complex systems.

  5. Thermodynamics and simulation of hard-sphere fluid and solid: Kinetic Monte Carlo method versus standard Metropolis scheme.

    PubMed

    Ustinov, E A

    2017-01-21

    The paper aims at a comparison of techniques based on the kinetic Monte Carlo (kMC) and the conventional Metropolis Monte Carlo (MC) methods as applied to the hard-sphere (HS) fluid and solid. In the case of the kMC, an alternative representation of the chemical potential is explored [E. A. Ustinov and D. D. Do, J. Colloid Interface Sci. 366, 216 (2012)], which does not require any external procedure like the Widom test particle insertion method. A direct evaluation of the chemical potential of the fluid and solid without thermodynamic integration is achieved by molecular simulation in an elongated box with an external potential imposed on the system in order to reduce the particle density in the vicinity of the box ends. The existence of rarefied zones allows one to determine the chemical potential of the crystalline phase and substantially increases its accuracy for the disordered dense phase in the central zone of the simulation box. This method is applicable to both the Metropolis MC and the kMC, but in the latter case, the chemical potential is determined with higher accuracy at the same conditions and the number of MC steps. Thermodynamic functions of the disordered fluid and crystalline face-centered cubic (FCC) phase for the hard-sphere system have been evaluated with the kinetic MC and the standard MC coupled with the Widom procedure over a wide range of density. The melting transition parameters have been determined by the point of intersection of the pressure-chemical potential curves for the disordered HS fluid and FCC crystal using the Gibbs-Duhem equation as a constraint. A detailed thermodynamic analysis of the hard-sphere fluid has provided a rigorous verification of the approach, which can be extended to more complex systems.

  6. Rainbow Scattering by a Coated Sphere

    NASA Technical Reports Server (NTRS)

    Lock, James A.; Jamison, J. Michael; Lin, Chih-Yang

    1994-01-01

    We examine the behavior of the first-order rainbow for a coated sphere by using both ray theory and Aden-Kerker wave theory as the radius of the core alpha(sub 12) and the thickness of the coating beta are varied. As the ratio beta/alpha(sub 12) increases from 10(sup -4) to 0.33, we find three classes of rainbow phenomena that cannot occur for a homogeneous-sphere rainbow. For beta/alpha(sub 12) approx less than 10(sup -3), the rainbow intensity is an oscillatory function of the coating thickness, for beta/alpha(sub 12) approx. 10(sup -2), the first-order rainbow breaks into a pair of twin rainbows, and for beta/alpha(sub 12) approx. 0.33, various rainbow-extinction transitions occur. Each of these effects is analyzed, and their physical interpretations are given. A Debye series decomposition of coated-sphere partial-wave scattering amplitudes is also performed and aids in the analysis.

  7. Bidispersed Sphere Packing on Spherical Surfaces

    NASA Astrophysics Data System (ADS)

    Atherton, Timothy; Mascioli, Andrew; Burke, Christopher

    Packing problems on spherical surfaces have a long history, originating in the classic Thompson problem of finding the ground state configuration of charges on a sphere. Such packings contain a minimal number of defects needed to accommodate the curvature; this is predictable using the Gauss-Bonnet theorem from knowledge of the topology of the surface and the local symmetry of the ordering. Famously, the packing of spherical particles on a sphere contains a 'scar' transition, where additional defects over those required by topology appear above a certain critical number of particles and self-organize into chains or scars. In this work, we study the packing of bidispersed packings on a sphere, and hence determine the interaction of bidispersity and curvature. The resultant configurations are nearly crystalline for low values of bidispersity and retain scar-like structures; these rapidly become disordered for intermediate values and approach a so-called Appollonian limit at the point where smaller particles can be entirely accommodated within the voids left by the larger particles. We connect our results with studies of bidispersed packings in the bulk and on flat surfaces from the literature on glassy systems and jamming. Supported by a Cottrell Award from the Research Corporation for Science Advancement.

  8. Ultrahard nanotwinned cubic boron nitride.

    PubMed

    Tian, Yongjun; Xu, Bo; Yu, Dongli; Ma, Yanming; Wang, Yanbin; Jiang, Yingbing; Hu, Wentao; Tang, Chengchun; Gao, Yufei; Luo, Kun; Zhao, Zhisheng; Wang, Li-Min; Wen, Bin; He, Julong; Liu, Zhongyuan

    2013-01-17

    Cubic boron nitride (cBN) is a well known superhard material that has a wide range of industrial applications. Nanostructuring of cBN is an effective way to improve its hardness by virtue of the Hall-Petch effect--the tendency for hardness to increase with decreasing grain size. Polycrystalline cBN materials are often synthesized by using the martensitic transformation of a graphite-like BN precursor, in which high pressures and temperatures lead to puckering of the BN layers. Such approaches have led to synthetic polycrystalline cBN having grain sizes as small as ∼14 nm (refs 1, 2, 4, 5). Here we report the formation of cBN with a nanostructure dominated by fine twin domains of average thickness ∼3.8 nm. This nanotwinned cBN was synthesized from specially prepared BN precursor nanoparticles possessing onion-like nested structures with intrinsically puckered BN layers and numerous stacking faults. The resulting nanotwinned cBN bulk samples are optically transparent with a striking combination of physical properties: an extremely high Vickers hardness (exceeding 100 GPa, the optimal hardness of synthetic diamond), a high oxidization temperature (∼1,294 °C) and a large fracture toughness (>12 MPa m(1/2), well beyond the toughness of commercial cemented tungsten carbide, ∼10 MPa m(1/2)). We show that hardening of cBN is continuous with decreasing twin thickness down to the smallest sizes investigated, contrasting with the expected reverse Hall-Petch effect below a critical grain size or the twin thickness of ∼10-15 nm found in metals and alloys.

  9. A staggered overset grid method for resolved simulation of incompressible flow around moving spheres

    NASA Astrophysics Data System (ADS)

    Vreman, A. W.

    2017-03-01

    An overset grid method for resolved simulation of incompressible (turbulent) flows around moving spherical particles is presented. The Navier-Stokes equations in spherical coordinates are solved on body-fitted spherical polar grids attached to the moving spheres. These grids are overset on a fixed Cartesian background grid, where the Navier-Stokes equations in Cartesian coordinates are solved. The standard second-order staggered finite difference scheme is used on each grid. The velocities and pressures on different grids are coupled by third-order Lagrange interpolations. The method, implemented in the form of a Message Passing Interface parallel program, has been validated for a range of flows around spheres. In a first validation section, the results of simulations of four Stokes flows around a single moving sphere are compared with classical analytical results. The first three cases are the flows due to a translating, an oscillating sphere and a rotating sphere. The numerically produced velocity and pressure fields appear to converge to the corresponding (transient) analytical solutions in the maximum norm. The fourth Stokes case is the flow due to an instantaneously accelerated sphere. For this case, the results are compared with the corresponding numerical solution of the Basset-Boussinesq-Oseen equation. In a second validation section, results of three Navier-Stokes flows around one or more moving spheres are presented. These test configurations are a moving face-centered cubic array of spheres, laminar channel flow with a falling a sphere, and freely moving small spheres in a Taylor-Green flow. Results for the flow with the falling sphere are compared with the results from the literature on immersed boundary methods.

  10. Identity Development in the Learning Sphere among Japanese First-Year University Students

    ERIC Educational Resources Information Center

    Sugimura, Kazumi; Shimizu, Noriko

    2011-01-01

    Identity development in the learning sphere is an important identity-defining issue for Japanese adolescents during the transition from high school to university. The present study reports a preliminary feasibility evaluation of an intervention program designed to facilitate identity formation in the learning sphere. 179 Japanese university…

  11. Topological lifetimes of polydisperse colloidal hard spheres at a wall.

    PubMed

    Dullens, Roel P A; Kegel, Willem K

    2005-01-01

    Confocal scanning laser microscopy was used to study the behavior of dense suspensions of model colloidal hard spheres at a single wall. Due to the slight polydispersity, our system shows a reentrant melting transition at high densities involving a hexatic structure [Phys. Rev. Lett 92, 195702 (2004)

  12. Cubical Sets and Trace Monoid Actions

    PubMed Central

    Husainov, Ahmet A.

    2013-01-01

    This paper is devoted to connections between trace monoids and cubical sets. We prove that the category of trace monoids is isomorphic to the category of generalized tori and it is a reflective subcategory of the category of cubical sets. Adjoint functors between the categories of cubical sets and trace monoid actions are constructed. These functors carry independence preserving morphisms in the independence preserving morphisms. This allows us to build adjoint functors between the category of weak asynchronous systems and the category of higher dimensional automata. PMID:24453827

  13. Dynamics of Structural Transformations between Lamellar and Inverse Bicontinuous Cubic Lyotropic Phases

    SciTech Connect

    Conn, Charlotte E.; Ces, Oscar; Mulet, Xavier; Seddon, John M.; Templer, Richard H.; Finet, Stephanie; Winter, Roland

    2006-03-17

    The liquid crystalline lamellar (L{sub {alpha}}) to double-diamond inverse bicontinuous cubic (Q{sub II}{sup D}) phase transition for the amphiphile monoelaidin in excess water exhibits a remarkable sequence of structural transformations for pressure or temperature jumps. Our data imply that the transition dynamics depends on a coupling between changes in molecular shape and the geometrical and topological constraints of domain size. We propose a qualitative model for this coupling based on theories of membrane fusion via stalks and existing knowledge of the structure and energetics of bicontinuous cubic phases.

  14. Laser range profile of spheres

    NASA Astrophysics Data System (ADS)

    Gong, Yanjun; Wang, Mingjun; Gong, Lei

    2016-09-01

    Profile information about a three-dimensional target can be obtained by laser range profile (LRP). A mathematical LRP model from rough sphere is presented. LRP includes laser one-dimensional range profile and laser two-dimensional range profile. A target coordinate system and an imaging coordinate system are established, the mathematical model of the range profile is derived in the imaging coordinate system. The mathematical model obtained has nothing to do with the incidence direction of laser. It is shown that the laser range profile of the sphere is independent of the incidence direction of laser. This is determined by the symmetry of the sphere. The laser range profile can reflect the shape and material properties of the target. Simulations results of LRP about some spheres are given. Laser range profile of sphere, whose surface material with diffuse lambertian reflectance, is given in this paper. Laser one-dimensional range profile of sphere, whose surface mater with diffuse materials whose retro-reflectance can be modeled closely with an exponential term that decays with increasing incidence angles, is given in this paper. Laser range profiles of different pulse width of sphere are given in this paper. The influences of geometric parameters, pulse width on the range profiles are analyzed.

  15. Cubic and Hexagonal Liquid Crystals as Drug Delivery Systems

    PubMed Central

    Chen, Yulin; Ma, Ping; Gui, Shuangying

    2014-01-01

    Lipids have been widely used as main constituents in various drug delivery systems, such as liposomes, solid lipid nanoparticles, nanostructured lipid carriers, and lipid-based lyotropic liquid crystals. Among them, lipid-based lyotropic liquid crystals have highly ordered, thermodynamically stable internal nanostructure, thereby offering the potential as a sustained drug release matrix. The intricate nanostructures of the cubic phase and hexagonal phase have been shown to provide diffusion controlled release of active pharmaceutical ingredients with a wide range of molecular weights and polarities. In addition, the biodegradable and biocompatible nature of lipids demonstrates the minimum toxicity and thus they are used for various routes of administration. Therefore, the research on lipid-based lyotropic liquid crystalline phases has attracted a lot of attention in recent years. This review will provide an overview of the lipids used to prepare cubic phase and hexagonal phase at physiological temperature, as well as the influencing factors on the phase transition of liquid crystals. In particular, the most current research progresses on cubic and hexagonal phases as drug delivery systems will be discussed. PMID:24995330

  16. Structure of the body-centered cubic phase of lipid systems.

    PubMed

    Saludjian, P; Reiss-Husson, F

    1980-12-01

    A new model is proposed for the structure of the body-centered cubic phase of lipid systems. Infinite rods of polar groups (and water) are arranged with axes parallel to the four cubic [unk]1 1 1[unk] directions. The hydrocarbon chains fill the space between the rods to form a continuous matrix. With this unified topology, the model explains satisfactorily the x-ray diffraction patterns of strontium soaps, lecithin, galactolipids, potassium soaps, and hexadecyltrimethylammonium bromide and explains the transition between cubic/H(II) phases. The paradoxical thermal effects on the lipid cubic phase, in particular the decrease of unit cell dimensions with increasing temperature, can be explained with the proposed model by mechanisms similar to those used for the monodimensional and bidimensional (mesomorphic) phases.

  17. Why GPCRs behave differently in cubic and lamellar lipidic mesophases

    PubMed Central

    2012-01-01

    Recent successes in the crystallographic determination of structures of transmembrane proteins in the G protein-coupled receptor (GPCR) family have established the lipidic cubic phase (LCP) environment as the medium of choice for growing structure-grade crystals by the method termed “in meso”. The understanding of in meso crystallogenesis is currently at a descriptive level. To enable an eventual quantitative, energy-based description of the nucleation and crystallization mechanism, we have examined the properties of the lipidic cubic phase system and the dynamics of the GPCR rhodopsin reconstituted into the LCP with coarse-grained molecular dynamics simulations with the Martini force-field. Quantifying the differences in the hydrophobic/hydrophilic exposure of the GPCR to lipids in the cubic and lamellar phases, we found that the highly curved geometry of the cubic phase provides more efficient shielding of the protein from unfavorable hydrophobic exposure, which leads to a lesser hydrophobic mismatch and less unfavorable hydrophobic–hydrophilic interactions between the protein and lipid–water interface in the LCP, compared to the lamellar phase. Since hydrophobic mismatch is considered a driving force for oligomerization, the differences in exposure mismatch energies between the LCP and the lamellar structures suggest that the latter provide a more favorable setting in which GPCRs can oligomerize as a prelude to nucleation and crystal growth. These new findings lay the foundation for future investigations of in meso crystallization mechanisms related to the transition from the LCP to the lamellar phase and studies aimed at an improved rational approach for generating structure-quality crystals of membrane proteins. PMID:22931253

  18. Biomechanical Analysis with Cubic Spline Functions

    ERIC Educational Resources Information Center

    McLaughlin, Thomas M.; And Others

    1977-01-01

    Results of experimentation suggest that the cubic spline is a convenient and consistent method for providing an accurate description of displacement-time data and for obtaining the corresponding time derivatives. (MJB)

  19. Inner- and outer-sphere metal coordination in blue copper proteins.

    PubMed

    Warren, Jeffrey J; Lancaster, Kyle M; Richards, John H; Gray, Harry B

    2012-10-01

    Blue copper proteins (BCPs) comprise classic cases of Nature's profound control over the electronic structures and chemical reactivity of transition metal ions. Early studies of BCPs focused on their inner coordination spheres, that is, residues that directly coordinate Cu. Equally important are the electronic and geometric perturbations to these ligands provided by the outer coordination sphere. In this tribute to Hans Freeman, we review investigations that have advanced the understanding of how inner-sphere and outer-sphere coordination affects biological Cu properties.

  20. Great Plains makes 100 billion cubic feet

    SciTech Connect

    Not Available

    1987-03-01

    The Great Plains coal gasification plant on January 18, 1987 produced its 100 billionth cubic foot of gas since start-up July 28, 1984. Owned by the Department of Energy and operated by ANG Coal Gasification Company, the plant uses the Lurgi process to produce about 50 billion cubic feet per year of gas from five million tons per year of lignite. The plant has been performing at well above design capacity.

  1. Science off the Sphere: Bistronauts

    NASA Video Gallery

    International Space Station Expedition 30 astronaut Don Pettit demonstrates physics in space for 'Science off the Sphere.' Through a partnership between NASA and the American Physical Society you c...

  2. Confined disordered strictly jammed binary sphere packings

    NASA Astrophysics Data System (ADS)

    Chen, D.; Torquato, S.

    2015-12-01

    Disordered jammed packings under confinement have received considerably less attention than their bulk counterparts and yet arise in a variety of practical situations. In this work, we study binary sphere packings that are confined between two parallel hard planes and generalize the Torquato-Jiao (TJ) sequential linear programming algorithm [Phys. Rev. E 82, 061302 (2010), 10.1103/PhysRevE.82.061302] to obtain putative maximally random jammed (MRJ) packings that are exactly isostatic with high fidelity over a large range of plane separation distances H , small to large sphere radius ratio α , and small sphere relative concentration x . We find that packing characteristics can be substantially different from their bulk analogs, which is due to what we term "confinement frustration." Rattlers in confined packings are generally more prevalent than those in their bulk counterparts. We observe that packing fraction, rattler fraction, and degree of disorder of MRJ packings generally increase with H , though exceptions exist. Discontinuities in the packing characteristics as H varies in the vicinity of certain values of H are due to associated discontinuous transitions between different jammed states. When the plane separation distance is on the order of two large-sphere diameters or less, the packings exhibit salient two-dimensional features; when the plane separation distance exceeds about 30 large-sphere diameters, the packings approach three-dimensional bulk packings. As the size contrast increases (as α decreases), the rattler fraction dramatically increases due to what we call "size-disparity" frustration. We find that at intermediate α and when x is about 0.5 (50-50 mixture), the disorder of packings is maximized, as measured by an order metric ψ that is based on the number density fluctuations in the direction perpendicular to the hard walls. We also apply the local volume-fraction variance στ2(R ) to characterize confined packings and find that these

  3. Polyimide nanocomposites based on cubic zirconium tungstate

    NASA Astrophysics Data System (ADS)

    Ramasubramanian Sharma, Gayathri

    2009-12-01

    In this research, cubic zirconium tungstate (ZrW2O8) was used as a filler to reduce the CTE of polyimides (PI), and the effect of ZrW2O8 nanoparticles on the bulk polymer properties was studied. Polyimides are high performance polymers with exceptional thermal stability, and there is a need for PIs with low CTEs for high temperature applications. The nanofiller, cubic ZrW2O8, is well known for its isotropic negative thermal expansion (NTE) over a wide temperature range from -272.7 to 777°C. The preparation of nanocomposites involved the synthesis of ZrW 2O8 nanofiller, engineering the polymer-filler interface using linker groups and optimization of processing strategies to prepare free-standing PI nanocomposite films. A hydrothermal method was used to synthesize ZrW 2O8 nanoparticles. Polyimide-ZrW2O8 interface interaction was enhanced by covalently bonding linker moieties to the surface of ZrW2O8 nanoparticles. Specifically, ZrW 2O8 nanoparticles were functionalized with two different linker groups: (1) a short aliphatic silane, and (2) low molecular weight PI. The surface functionalization was confirmed using X-ray photoelectron spectroscopy and thermal gravimetric analysis (TGA). Reprecipitation blending was used to prepare the freestanding PI-ZrW2O8 nanocomposite films with up to 15 volume% filler loading. SEM images showed the improvements in polymer-filler wetting behavior achieved using interface engineering. SEM images indicated that there was better filler dispersion in the PI matrix using reprecipitation blending, compared to the filler dispersion achieved in the nanocomposites prepared using conventional blending technique. The structure-property relationships in PI-ZrW2O8 nanocomposites were investigated by studying the thermal degradation, glass transition, tensile and thermal expansion properties of the nanocomposites. The properties were studied as a function of filler loading and interface linker groups. Addition of ZrW2O8 nanoparticles did not

  4. Physics of Hard Spheres Experiment: Significant and Quantitative Findings Made

    NASA Technical Reports Server (NTRS)

    Doherty, Michael P.

    2000-01-01

    Direct examination of atomic interactions is difficult. One powerful approach to visualizing atomic interactions is to study near-index-matched colloidal dispersions of microscopic plastic spheres, which can be probed by visible light. Such spheres interact through hydrodynamic and Brownian forces, but they feel no direct force before an infinite repulsion at contact. Through the microgravity flight of the Physics of Hard Spheres Experiment (PHaSE), researchers have sought a more complete understanding of the entropically driven disorder-order transition in hard-sphere colloidal dispersions. The experiment was conceived by Professors Paul M. Chaikin and William B. Russel of Princeton University. Microgravity was required because, on Earth, index-matched colloidal dispersions often cannot be density matched, resulting in significant settling over the crystallization period. This settling makes them a poor model of the equilibrium atomic system, where the effect of gravity is truly negligible. For this purpose, a customized light-scattering instrument was designed, built, and flown by the NASA Glenn Research Center at Lewis Field on the space shuttle (shuttle missions STS 83 and STS 94). This instrument performed both static and dynamic light scattering, with sample oscillation for determining rheological properties. Scattered light from a 532- nm laser was recorded either by a 10-bit charge-coupled discharge (CCD) camera from a concentric screen covering angles of 0 to 60 or by sensitive avalanche photodiode detectors, which convert the photons into binary data from which two correlators compute autocorrelation functions. The sample cell was driven by a direct-current servomotor to allow sinusoidal oscillation for the measurement of rheological properties. Significant microgravity research findings include the observation of beautiful dendritic crystals, the crystallization of a "glassy phase" sample in microgravity that did not crystallize for over 1 year in 1g

  5. Superhard BC3 in cubic diamond structure

    DOE PAGES

    Zhang, Miao; Liu, Hanyu; Li, Quan; ...

    2015-01-06

    We solve the crystal structure of recently synthesized cubic BC3 using an unbiased swarm structure search, which identifies a highly symmetric BC3 phase in the cubic diamond structure (d–BC3) that contains a distinct B-B bonding network along the body diagonals of a large 64-atom unit cell. Simulated x-ray diffraction and Raman peaks of d–BC3 are in excellent agreement with experimental data. Calculated stress-strain relations of d–BC3 demonstrate its intrinsic superhard nature and reveal intriguing sequential bond-breaking modes that produce superior ductility and extended elasticity, which are unique among superhard solids. Here, the present results establish the first boron carbide inmore » the cubic diamond structure with remarkable properties, and these new findings also provide insights for exploring other covalent solids with complex bonding configurations.« less

  6. Self-assembly in colloidal hard-sphere systems

    NASA Astrophysics Data System (ADS)

    Filion, L. C.

    2011-01-01

    In this thesis, we examine the phase behaviour and nucleation in a variety of hard-sphere systems. In Chapter 1 we present a short introduction and describe some of the simulation techniques used in this thesis. One of the main difficulties in predicting the phase behaviour in colloidal, atomic and nanoparticle systems is in determining the stable crystalline phases. To address this problem, in Chapters 2 and 4 we present two different methods for predicting possible crystal phases. In Chapter 2, we apply a genetic algorithm to binary hard-sphere mixtures and use it to predict the best-packed structures for this system. In Chapter 4 we present a novel method based on Monte Carlo simulations to predict possible crystalline structures for a variety of models. When the possible phases are known, full free-energy calculations can be used to predict the phase diagrams. This is the focus of Chapters 3 and 5. In Chapter 3, we examine the phase behaviour for binary hard-sphere mixtures with size ratios of the large and small spheres between 0.74 and 0.85. Between size ratios 0.76 and 0.84 we find regions where the binary Laves phases are stable, in addition to monodisperse face-centered-cubic (FCC) crystals of the large and small spheres and a binary liquid. For size ratios 0.74 and 0.85 we find only the monodisperse FCC crystals and the binary liquid. In Chapter 5 we examine the phase behaviour of binary hard-sphere mixtures with size ratios between 0.3 and 0.42. In this range, we find an interstitial solid solution (ISS) to be stable, as well as FCC crystals of the small and large spheres, and a binary fluid. The ISS phase consists of an FCC crystal of the large particles with some of the octahedral holes filled by smaller particles. We show that this filling fraction can be tuned from 0 to 100%. Additionally, we examine the diffusive properties of the small particles in the ISS for size ratio 0.3. In contrast to most systems, we find a region where the diffusion

  7. Sphere forming method and apparatus

    NASA Technical Reports Server (NTRS)

    Youngberg, C. L.; Miller, C. G.; Stephens, J. B.; Finnerty, A. A. (Inventor)

    1983-01-01

    A system is provided for forming small accurately spherical objects. Preformed largely spherical objects are supported at the opening of a conduit on the update of hot gas emitted from the opening, so the object is in a molten state. The conduit is suddenly jerked away at a downward incline, to allow the molten object to drop in free fall, so that surface tension forms a precise sphere. The conduit portion that has the opening, lies in a moderate vacuum chamber, and the falling sphere passes through the chamber and through a briefly opened valve into a tall drop tower that contains a lower pressure, to allow the sphere to cool without deformation caused by falling through air.

  8. Purely cubic action for string field theory

    NASA Technical Reports Server (NTRS)

    Horowitz, G. T.; Lykken, J.; Rohm, R.; Strominger, A.

    1986-01-01

    It is shown that Witten's (1986) open-bosonic-string field-theory action and a closed-string analog can be written as a purely cubic interaction term. The conventional form of the action arises by expansion around particular solutions of the classical equations of motion. The explicit background dependence of the conventional action via the Becchi-Rouet-Stora-Tyutin operator is eliminated in the cubic formulation. A closed-form expression is found for the full nonlinear gauge-transformation law.

  9. One-dimensional Kac model of dense amorphous hard spheres

    NASA Astrophysics Data System (ADS)

    Ikeda, H.; Ikeda, A.

    2015-08-01

    We introduce a new model of hard spheres under confinement for the study of the glass and jamming transitions. The model is a one-dimensional chain of the d-dimensional boxes each of which contains the same number of hard spheres, and the particles in the boxes of the ends of the chain are quenched at their equilibrium positions. We focus on the infinite-dimensional limit (d \\to ∞) of the model and analytically compute the glass transition densities using the replica liquid theory. From the chain length dependence of the transition densities, we extract the characteristic length scales at the glass transition. The divergence of the lengths are characterized by the two exponents, -1/4 for the dynamical transition and -1 for the ideal glass transition, which are consistent with those of the p-spin mean-field spin glass model. We also show that the model is useful for the study of the growing length scale at the jamming transition.

  10. Possible significance of cubic water-ice, H2O-Ic, in the atmospheric water cycle of Mars

    NASA Technical Reports Server (NTRS)

    Gooding, James L.

    1988-01-01

    The possible formation and potential significance of the cubic ice polymorph on Mars is discussed. When water-ice crystallizes on Earth, the ambient conditions of temperature and pressure result in the formation of the hexagonal ice polymorph; however, on Mars, the much lower termperature and pressures may permit the crystallization of the cubic polymorph. Cubic ice has two properties of possible importance on Mars: it is an excellant nucleator of other volatiles (such as CO2), and it undergoes an exothermic transition to hexagonal ice at temperatures above 170 K. These properties may have significant implications for both martian cloud formation and the development of the seasonal polar caps.

  11. Vortex-induced vibrations of a sphere

    NASA Astrophysics Data System (ADS)

    Govardhan, R. N.; Williamson, C. H. K.

    2005-05-01

    There are many studies on the vortex-induced vibrations of a cylindrical body, but almost none concerned with such vibrations for a sphere, despite the fact that tethered bodies are a common configuration. In this paper, we study the dynamics of an elastically mounted or tethered sphere in a steady flow, employing displacement, force and vorticity measurements. Within a particular range of flow speeds, where the oscillation frequency (f) is of the order of the static-body vortex shedding frequency (f_{vo}), there exist two modes of periodic large-amplitude oscillation, defined as modes I and II, separated by a transition regime exhibiting non-periodic vibration. The dominant wake structure for both modes is a chain of streamwise vortex loops on alternating sides of the wake. Further downstream, the heads of the vortex loops pinch off to form a sequence of vortex rings. We employ an analogy with the lift on an aircraft that is associated with its trailing vortex pair (of strength Gamma(*) and spacing b(*) ), and thereby compute the rate of change of impulse for the streamwise vortex pair, yielding the vortex force coefficient (cvortex): [ cvortex = {8}/{pi} {U^*_{v}}b^*( - Gamma^*). ] This calculation yields predicted forces in reasonable agreement with direct measurements on the sphere. This is significant because it indicates that the principal vorticity dynamics giving rise to vortex-induced vibration for a sphere are the motions of these streamwise vortex pairs. The Griffin plot, showing peak amplitudes as a function of the mass damping (m(*zeta) ), exhibits a good collapse of data, indicating a maximum response of around 0.9 diameters. Following recent studies of cylinder vortex-induced vibration, we deduce the existence of a critical mass ratio, m(*_{crit}) {≈} 0.6, below which large-amplitude vibrations are predicted to persist to infinite normalized velocities. An unexpected large-amplitude and highly periodic mode (mode III) is found at distinctly higher

  12. Vacancy-induced mechanical stabilization of cubic tungsten nitride

    NASA Astrophysics Data System (ADS)

    Balasubramanian, Karthik; Khare, Sanjay; Gall, Daniel

    2016-11-01

    First-principles methods are employed to determine the structural, mechanical, and thermodynamic reasons for the experimentally reported cubic WN phase. The defect-free rocksalt phase is both mechanically and thermodynamically unstable, with a negative single crystal shear modulus C44=-86 GPa and a positive enthalpy of formation per formula unit Hf=0.623 eV with respect to molecular nitrogen and metallic W. In contrast, WN in the NbO phase is stable, with C44=175 GPa and Hf=-0.839 eV . A charge distribution analysis reveals that the application of shear strain along [100] in rocksalt WN results in an increased overlap of the t2 g orbitals which causes electron migration from the expanded to the shortened W-W <110 > bond axes, yielding a negative shear modulus due to an energy reduction associated with new bonding states 8.1-8.7 eV below the Fermi level. A corresponding shear strain in WN in the NbO phase results in an energy increase and a positive shear modulus. The mechanical stability transition from the NaCl to the NbO phase is explored using supercell calculations of the NaCl structure containing Cv=0 %-25 % cation and anion vacancies, while keeping the N-to-W ratio constant at unity. The structure is mechanically unstable for Cv<5 % . At this critical vacancy concentration, the isotropic elastic modulus E of cubic WN is zero, but increases steeply to E =445 GPa for Cv=10 % , and then less steeply to E =561 GPa for Cv=25 % . Correspondingly, the hardness estimated using Tian's model increases from 0 to 15 to 26 GPa as Cv increases from 5% to 10% to 25%, indicating that a relatively small vacancy concentration stabilizes the cubic WN phase and that the large variations in reported mechanical properties of WN can be attributed to relatively small changes in Cv.

  13. The phase space of the focused cubic Schroedinger equation: A numerical study

    SciTech Connect

    Burlakov, Yuri O.

    1998-05-01

    In a paper of 1988 [41] on statistical mechanics of the nonlinear Schroedinger equation, it was observed that a Gibbs canonical ensemble associated with the nonlinear Schroedinger equation exhibits behavior reminiscent of a phase transition in classical statistical mechanics. The existence of a phase transition in the canonical ensemble of the nonlinear Schroedinger equation would be very interesting and would have important implications for the role of this equation in modeling physical phenomena; it would also have an important bearing on the theory of weak solutions of nonlinear wave equations. The cubic Schroedinger equation, as will be shown later, is equivalent to the self-induction approximation for vortices, which is a widely used equation of motion for a thin vortex filament in classical and superfluid mechanics. The existence of a phase transition in such a system would be very interesting and actually very surprising for the following reasons: in classical fluid mechanics it is believed that the turbulent regime is dominated by strong vortex stretching, while the vortex system described by the cubic Schroedinger equation does not allow for stretching. In superfluid mechanics the self-induction approximation and its modifications have been used to describe the motion of thin superfluid vortices, which exhibit a phase transition; however, more recently some authors concluded that these equations do not adequately describe superfluid turbulence, and the absence of a phase transition in the cubic Schroedinger equation would strengthen their argument. The self-induction approximation for vortices takes into account only very localized interactions, and the existence of a phase transition in such a simplified system would be very unexpected. In this thesis the authors present a numerical study of the phase transition type phenomena observed in [41]; in particular, they find that these phenomena are strongly related to the splitting of the phase space into

  14. A monotonicity conjecture for real cubic maps

    SciTech Connect

    Dawson, S.P.; Galeeva, R.; Milnor, J.; Tresser, C.

    1993-12-01

    This will be an outline of work in progress. We study the conjecture that the topological entropy of a real cubic map depends ``monotonely`` on its parameters, in the sense that each locus of constant entropy in parameter space is a connected set. This material will be presented in more detail in a later paper.

  15. Improved linings for integrating spheres

    NASA Technical Reports Server (NTRS)

    Fergerson, P. O.; French, B. O.

    1970-01-01

    Sphere surface is covered with plain weave of glass fibers coated with polytetrafluoroethylene and one or two layers of magnesium oxide vapor. The resultant lining is suitable for measurement of radiation in the ultraviolet, visible, and near-infrared wavelengths, is not damage prone, and is easily cleaned.

  16. Magnetic ground states in nanocuboids of cubic magnetocrystalline anisotropy

    NASA Astrophysics Data System (ADS)

    Bonilla, F. J.; Lacroix, L.-M.; Blon, T.

    2017-04-01

    Flower and easy-axis vortex states are well-known magnetic configurations that can be stabilized in small particles. However, <111> vortex (V<111>), i.e. a vortex state with its core axis along the hard-axis direction, has been recently evidenced as a stable configuration in Fe nanocubes of intermediate sizes in the flower/vortex transition. In this context, we present here extensive micromagnetic simulations to determine the different magnetic ground states in ferromagnetic nanocuboids exhibiting cubic magnetocrystalline anisotropy (MCA). Focusing our study in the single-domain/multidomain size range (10-50 nm), we showed that V<111> is only stable in nanocuboids exhibiting peculiar features, such as a specific size, shape and magnetic environment, contrarily to the classical flower and easy-axis vortex states. Thus, to track experimentally these V<111> states, one should focused on (i) nanocuboids exhibiting a nearly perfect cubic shape (size distorsion <12%) made of (ii) a material which combines a zero or positive MCA and a high saturation magnetization, such as Fe or FeCo; and (iii) a low magnetic field environment, V<111> being only observed in virgin or remanent states.

  17. Science off the Sphere: Fun with Antibubbles

    NASA Video Gallery

    International Space Station Expedition 30 astronaut Don Pettit injects air bubbles inside a sphere of water to demonstrate physics in space for 'Science off the Sphere.' Through a partnership betwe...

  18. Field theory and anisotropy of a cubic ferromagnet near the Curie point

    NASA Astrophysics Data System (ADS)

    Kudlis, A.; Sokolov, A. I.

    2017-02-01

    It is known that critical fluctuations can change the effective anisotropy of a cubic ferromagnet near the Curie point. If the crystal undergoes a phase transition into the orthorhombic phase and the initial anisotropy is not too strong, then the effective anisotropy acquires the universal value A* = v*/ u* at T c, where u* and v* are the coordinates of the cubic fixed point of the renormalization group equations in the scaling equation of state and expressions for nonlinear susceptibilities. Using the pseudo-ɛ-expansion method, we find the numerical value of the anisotropy parameter A at the critical point. Padé resummation of the six-loop pseudo-ɛ-expansions for u*, v*, and A* leads to the estimate A* = 0.13 ± 0.01, giving evidence that observation of anisotropic critical behavior of cubic ferromagnets in physical and computer experiments is entirely possible.

  19. Effect of pressure on itinerant magnetism and spin disorder in cubic FeGe.

    PubMed

    Pulikkotil, J J; Auluck, S; Rout, P K; Budhani, R C

    2012-03-07

    The results of ab initio calculations of the pressure dependence of Fe magnetism in cubic FeGe are presented. We find that when the pressure-volume scale is set by means of generalized gradient approximation total energies and magnetism is described by means of the local density approximation, the critical pressure at which the magnetic phase transition occurs is estimated at ≈18 GPa, which is in good agreement with experiments. Using the disordered local moment method we find a localized to itinerant model cross-over of Fe magnetism in cubic FeGe, as a function of volume. Moreover, our calculations also suggest subtle signatures of longitudinal spin fluctuations in cubic FeGe, and that the stiffness parameter softens with increasing pressure. We associate the retention of metallicity in FeGe under pressure with the spin-disorder scattering. The effect of spin-orbit coupling on the electronic structure is also discussed.

  20. Direct visualization of dispersed lipid bicontinuous cubic phases by cryo-electron tomography

    PubMed Central

    Demurtas, Davide; Guichard, Paul; Martiel, Isabelle; Mezzenga, Raffaele; Hébert, Cécile; Sagalowicz, Laurent

    2015-01-01

    Bulk and dispersed cubic liquid crystalline phases (cubosomes), present in the body and in living cell membranes, are believed to play an essential role in biological phenomena. Moreover, their biocompatibility is attractive for nutrient or drug delivery system applications. Here the three-dimensional organization of dispersed cubic lipid self-assembled phases is fully revealed by cryo-electron tomography and compared with simulated structures. It is demonstrated that the interior is constituted of a perfect bicontinuous cubic phase, while the outside shows interlamellar attachments, which represent a transition state between the liquid crystalline interior phase and the outside vesicular structure. Therefore, compositional gradients within cubosomes are inferred, with a lipid bilayer separating at least one water channel set from the external aqueous phase. This is crucial to understand and enhance controlled release of target molecules and calls for a revision of postulated transport mechanisms from cubosomes to the aqueous phase. PMID:26573367

  1. Room temperature quantum emission from cubic silicon carbide nanoparticles.

    PubMed

    Castelletto, Stefania; Johnson, Brett C; Zachreson, Cameron; Beke, David; Balogh, István; Ohshima, Takeshi; Aharonovich, Igor; Gali, Adam

    2014-08-26

    The photoluminescence (PL) arising from silicon carbide nanoparticles has so far been associated with the quantum confinement effect or to radiative transitions between electronically active surface states. In this work we show that cubic phase silicon carbide nanoparticles with diameters in the range 45-500 nm can host other point defects responsible for photoinduced intrabandgap PL. We demonstrate that these nanoparticles exhibit single photon emission at room temperature with record saturation count rates of 7 × 10(6) counts/s. The realization of nonclassical emission from SiC nanoparticles extends their potential use from fluorescence biomarker beads to optically active quantum elements for next generation quantum sensing and nanophotonics. The single photon emission is related to single isolated SiC defects that give rise to states within the bandgap.

  2. What Students in a Higher Pedagogical Educational Institution Think about the Reforms and Innovations in the Sphere of Education

    ERIC Educational Resources Information Center

    Nikitina, N. N.

    2010-01-01

    Present-day Russia is characterized by a resolute transition to the innovative path of development in all spheres of economic and social life, and that includes the sphere of education. The processes that took place in Russian education in the 1990s, which can be characterized as a time of "precipitous innovation," were, to some extent,…

  3. Entropy of hard spheres in the close-packing limit

    NASA Astrophysics Data System (ADS)

    Noya, Eva G.; Almarza, Noé G.

    2015-05-01

    The Helmholtz free energies of the face-centred cubic (FCC) and hexagonal close packed (HCP) hard-sphere solids in the close-packing limit have been evaluated using two different approaches based on the Einstein crystal method. Different system sizes and orientations of the crystal with respect to the simulation box have been investigated, both methods giving free energies that are consistent within statistical uncertainty. Our results show that for a given orientation of the crystal and system size, the FCC crystal is always slightly more stable than the HCP, the free-energy difference remaining practically constant with the number of particles up to the thermodynamic limit. In agreement with previous calculations, it is found that the free-energy difference between the HCP and FCC crystals at close packing in the thermodynamic limit is 0.001 164(8) NkBT.

  4. Rubber rolling over a sphere

    NASA Astrophysics Data System (ADS)

    Koiller, J.; Ehlers, K.

    2007-04-01

    “Rubber” coated bodies rolling over a surface satisfy a no-twist condition in addition to the no slip condition satisfied by “marble” coated bodies [1]. Rubber rolling has an interesting differential geometric appeal because the geodesic curvatures of the curves on the surfaces at corresponding points are equal. The associated distribution in the 5 dimensional configuration space has 2 3 5 growth (these distributions were first studied by Cartan; he showed that the maximal symmetries occurs for rubber rolling of spheres with 3:1 diameters ratio and materialize the exceptional group G 2). The 2 3 5 nonholonomic geometries are classified in a companion paper [2] via Cartan’s equivalence method [3]. Rubber rolling of a convex body over a sphere defines a generalized Chaplygin system [4 8] with SO(3) symmetry group, total space Q = SO(3) × S 2 and base S 2, that can be reduced to an almost Hamiltonian system in T* S 2 with a non-closed 2-form ωNH. In this paper we present some basic results on the sphere-sphere problem: a dynamically asymmetric but balanced sphere of radius b (unequal moments of inertia I j but with center of gravity at the geometric center), rubber rolling over another sphere of radius a. In this example ωNH is conformally symplectic [9]: the reduced system becomes Hamiltonian after a coordinate dependent change of time. In particular there is an invariant measure, whose density is the determinant of the reduced Legendre transform, to the power p = 1/2( b/a - 1). Using sphero-conical coordinates we verify the result by Borisov and Mamaev [10] that the system is integrable for p = -1/2 (ball over a plane). They have found another integrable case [11] corresponding to p = -3/2 (rolling ball with twice the radius of a fixed internal ball). Strikingly, a different set of sphero-conical coordinates separates the Hamiltonian in this case. No other integrable cases with different I j are known.

  5. Wavelets based on Hermite cubic splines

    NASA Astrophysics Data System (ADS)

    Cvejnová, Daniela; Černá, Dana; Finěk, Václav

    2016-06-01

    In 2000, W. Dahmen et al. designed biorthogonal multi-wavelets adapted to the interval [0,1] on the basis of Hermite cubic splines. In recent years, several more simple constructions of wavelet bases based on Hermite cubic splines were proposed. We focus here on wavelet bases with respect to which both the mass and stiffness matrices are sparse in the sense that the number of nonzero elements in any column is bounded by a constant. Then, a matrix-vector multiplication in adaptive wavelet methods can be performed exactly with linear complexity for any second order differential equation with constant coefficients. In this contribution, we shortly review these constructions and propose a new wavelet which leads to improved Riesz constants. Wavelets have four vanishing wavelet moments.

  6. Face-Centered-Cubic Nanostructured Polymer Foams

    NASA Astrophysics Data System (ADS)

    Cui, C.; Baughman, R. H.; Liu, L. M.; Zakhidov, A. A.; Khayrullin, I. I.

    1998-03-01

    Beautifully iridescent polymer foams having Fm-3m cubic symmetry and periodicities on the scale of the wavelength of light have been synthesized by the templating of porous synthetic opals. These fabrication processes involve the filling of porous SiO2 opals (with typical cubic lattice parameters of 250 nm) with either polymers or polymer precursors, polymerization of the precursors if necessary, and removal of the fcc array of SiO2 balls to provide an all-polymer structure. The structures of these foams are similar to periodic minimal surfaces, although the Gaussian curvature can have both positive and negative values. Depending upon whether the internal surfaces of the opal are polymer filled or polymer coated, the polymer replica has either one or two sets of independent channels. We fill these channels with semiconductors, metals, or superconductors to provide electronic and optical materials with novel properties dependent on the nanoscale periodicity.

  7. Active swarms on a sphere

    NASA Astrophysics Data System (ADS)

    Sknepnek, Rastko; Henkes, Silke

    2015-02-01

    We show that coupling to curvature nontrivially affects collective motion in active systems, leading to motion patterns not observed in flat space. Using numerical simulations, we study a model of self-propelled particles with polar alignment and soft repulsion confined to move on the surface of a sphere. We observe a variety of motion patterns with the main hallmarks being polar vortex and circulating band states arising due to the incompatibility between spherical topology and uniform motion—a consequence of the "hairy ball" theorem. We provide a detailed analysis of density, velocity, pressure, and stress profiles in the circulating band state. In addition, we present analytical results for a simplified model of collective motion on the sphere showing that frustration due to curvature leads to stable elastic distortions storing energy in the band.

  8. Numerical simulation of a sphere moving down an incline with identical spheres placed equally apart

    USGS Publications Warehouse

    Ling, Chi-Hai; Jan, Chyan-Deng; Chen, Cheng-lung; Shen, Hsieh Wen

    1992-01-01

    This paper describes a numerical study of an elastic sphere moving down an incline with a string of identical spheres placed equally apart. Two momentum equations and a moment equation formulated for the moving sphere are solved numerically for the instantaneous velocity of the moving sphere on an incline with different angles of inclination. Input parameters for numerical simulation include the properties of the sphere (the radius, density, Poison's ratio, and Young's Modulus of elasticity), the coefficient of friction between the spheres, and a damping coefficient of the spheres during collision.

  9. Deposition Of Cubic BN On Diamond Interlayers

    NASA Technical Reports Server (NTRS)

    Ong, Tiong P.; Shing, Yuh-Han

    1994-01-01

    Thin films of polycrystalline, pure, cubic boron nitride (c-BN) formed on various substrates, according to proposal, by chemical vapor deposition onto interlayers of polycrystalline diamond. Substrate materials include metals, semiconductors, and insulators. Typical substrates include metal-cutting tools: polycrystalline c-BN coats advantageous for cutting ferrous materials and for use in highly oxidizing environments-applications in which diamond coats tend to dissolve in iron or be oxidized, respectively.

  10. Principal Fibrations from Noncommutative Spheres

    NASA Astrophysics Data System (ADS)

    Landi, Giovanni; Suijlekom, Walter Van

    2005-11-01

    We construct noncommutative principal fibrations Sθ7→Sθ4 which are deformations of the classical SU(2) Hopf fibration over the four sphere. We realize the noncommutative vector bundles associated to the irreducible representations of SU(2) as modules of coequivariant maps and construct corresponding projections. The index of Dirac operators with coefficients in the associated bundles is computed with the Connes-Moscovici local index formula. "The algebra inclusion is an example of a not-trivial quantum principal bundle."

  11. Use of Pom Pons to Illustrate Cubic Crystal Structures.

    ERIC Educational Resources Information Center

    Cady, Susan G.

    1997-01-01

    Describes a method that uses olefin pom pons to illustrate cubic crystal structure. Facilitates hands-on examination of different packing arrangements such as hexagonal close-packed and cubic close-packed structures. (JRH)

  12. Cubic Polynomials with Rational Roots and Critical Points

    ERIC Educational Resources Information Center

    Gupta, Shiv K.; Szymanski, Waclaw

    2010-01-01

    If you want your students to graph a cubic polynomial, it is best to give them one with rational roots and critical points. In this paper, we describe completely all such cubics and explain how to generate them.

  13. Homogeneous sphere packings with triclinic symmetry.

    PubMed

    Fischer, W; Koch, E

    2002-11-01

    All homogeneous sphere packings with triclinic symmetry have been derived by studying the characteristic Wyckoff positions P -1 1a and P -1 2i of the two triclinic lattice complexes. These sphere packings belong to 30 different types. Only one type exists that has exclusively triclinic sphere packings and no higher-symmetry ones. The inherent symmetry of part of the sphere packings is triclinic for 18 types. Sphere packings of all but six of the 30 types may be realized as stackings of parallel planar nets.

  14. Galileon hairs of Dyson spheres, Vainshtein's coiffure and hirsute bubbles

    NASA Astrophysics Data System (ADS)

    Kaloper, Nemanja; Padilla, Antonio; Tanahashi, Norihiro

    2011-10-01

    We study the fields of spherically symmetric thin shell sources, a.k.a. Dyson spheres, in a fully nonlinear covariant theory of gravity with the simplest galileon field. We integrate exactly all the field equations once, reducing them to first order nonlinear equations. For the simplest galileon, static solutions come on six distinct branches. On one, a Dyson sphere surrounds itself with a galileon hair, which far away looks like a hair of any Brans-Dicke field. The hair changes below the Vainshtein scale, where the extra galileon terms dominate the minimal gradients of the field. Their hair looks more like a fuzz, because the galileon terms are suppressed by the derivative of the volume determinant. It shuts off the `hair bunching' over the `angular' 2-sphere. Hence the fuzz remains dilute even close to the source. This is really why the Vainshtein's suppression of the modifications of gravity works close to the source. On the other five branches, the static solutions are all singular far from the source, and shuttered off from asymptotic infinity. One of them, however, is really the self-accelerating branch, and the singularity is removed by turning on time dependence. We give examples of regulated solutions, where the Dyson sphere explodes outward, and its self-accelerating side is nonsingular. These constructions may open channels for nonperturbative transitions between branches, which need to be addressed further to determine phenomenological viability of multi-branch gravities.

  15. 46 CFR 160.035-9 - Cubic capacity of lifeboats.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 46 Shipping 6 2010-10-01 2010-10-01 false Cubic capacity of lifeboats. 160.035-9 Section 160.035-9...: SPECIFICATIONS AND APPROVAL LIFESAVING EQUIPMENT Lifeboats for Merchant Vessels § 160.035-9 Cubic capacity of... its cubic capacity. (1) Length (L). The length is the distance in feet from the inside of the...

  16. 46 CFR 160.035-9 - Cubic capacity of lifeboats.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 46 Shipping 6 2011-10-01 2011-10-01 false Cubic capacity of lifeboats. 160.035-9 Section 160.035-9...: SPECIFICATIONS AND APPROVAL LIFESAVING EQUIPMENT Lifeboats for Merchant Vessels § 160.035-9 Cubic capacity of... its cubic capacity. (1) Length (L). The length is the distance in feet from the inside of the...

  17. Shear Yielding and Shear Jamming of Dense Hard Sphere Glasses

    NASA Astrophysics Data System (ADS)

    Urbani, Pierfrancesco; Zamponi, Francesco

    2017-01-01

    We investigate the response of dense hard sphere glasses to a shear strain in a wide range of pressures ranging from the glass transition to the infinite-pressure jamming point. The phase diagram in the density-shear strain plane is calculated analytically using the mean-field infinite-dimensional solution. We find that just above the glass transition, the glass generically yields at a finite shear strain. The yielding transition in the mean-field picture is a spinodal point in presence of disorder. At higher densities, instead, we find that the glass generically jams at a finite shear strain: the jamming transition prevents yielding. The shear yielding and shear jamming lines merge in a critical point, close to which the system yields at extremely large shear stress. Around this point, highly nontrivial yielding dynamics, characterized by system-spanning disordered fractures, is expected.

  18. Interplay between lattice dynamics and the low-pressure phase of simple cubic polonium

    NASA Astrophysics Data System (ADS)

    Zaoui, A.; Belabbes, A.; Ahuja, R.; Ferhat, M.

    2011-04-01

    Low-pressure structural properties of simple cubic polonium are explored through first-principles density-functional theory based relativistic total energy calculations using pseudopotentials and plane-wave basis set, as well as linear-response theory. We have found that Po undergoes structural phase transition at low pressure near 2 GPa, where the element transforms from simple cubic to a mixture of two trigonal phases namely, hR1 (α=86°) and hR2 (α=97.9°) structures. The lattice dynamics calculations provide strong support for the observed phase transition, and show the dynamical stability (instability) of the hR2 (hR1) phase.

  19. Effect of rare locally ordered regions on a disordered itinerant quantum antiferromagnet with cubic anisotropy

    NASA Astrophysics Data System (ADS)

    Narayanan, Rajesh; Vojta, Thomas

    2001-01-01

    We study the quantum phase transition of an itinerant antiferromagnet with cubic anisotropy in the presence of quenched disorder, paying particular attention to the locally ordered spatial regions that form in the Griffiths region. We derive an effective action where these rare regions are described in terms of static annealed disorder. A one-loop renormalization-group analysis of the effective action shows that for order-parameter dimensions p<4, the rare regions destroy the conventional critical behavior, and the renormalized disorder flows to infinity. For order-parameter dimensions p>4, the critical behavior is not influenced by the rare regions; it is described by the conventional dirty cubic fixed point. We also discuss the influence of the rare regions on the fluctuation-driven first-order transition in this system.

  20. Phase equilibria in polydisperse nonadditive hard-sphere systems.

    PubMed

    Paricaud, Patrice

    2008-08-01

    Colloidal particles naturally exhibit a size polydispersity that can greatly influence their phase behavior in solution. Nonadditive hard-sphere (NAHS) mixtures are simple and well-suited model systems to represent phase transitions in colloid systems. Here, we propose an analytical equation of state (EOS) for NAHS fluid mixtures, which can be straightforwardly applied to polydisperse systems. For positive values of the nonadditivity parameter Delta the model gives accurate predictions of the simulated fluid-fluid coexistence curves and compressibility factors. NPT Monte Carlo simulations of the mixing properties of the NAHS symmetric binary mixture with Delta>0 are reported. It is shown that the enthalpy of mixing is largely positive and overcomes the positive entropy of mixing when the pressure is increased, leading to a fluid-fluid phase transition with a lower critical solution pressure. Phase equilibria in polydisperse systems are predicted with the model by using the density moment formalism [P. Sollich, Adv. Chem. Phys. 116, 265 (2001)]. We present predictions of the cloud and shadow curves for polydisperse NAHS systems composed of monodisperse spheres and polydisperse colloid particles. A fixed nonadditivity parameter Delta > 0 is assumed between the monodisperse and polydisperse spheres, and a Schulz distribution is used to represent the size polydispersity. Polydispersity is found to increase the extent of the immiscibility region. The predicted cloud and shadow curves depend dramatically on the upper cutoff diameter sigmac of the Schulz distribution, and three-phase equilibria can occur for large values of sigmac.

  1. Density-functional theory for fluid-solid and solid-solid phase transitions

    NASA Astrophysics Data System (ADS)

    Bharadwaj, Atul S.; Singh, Yashwant

    2017-03-01

    We develop a theory to describe solid-solid phase transitions. The density functional formalism of classical statistical mechanics is used to find an exact expression for the difference in the grand thermodynamic potentials of the two coexisting phases. The expression involves both the symmetry conserving and the symmetry broken parts of the direct pair correlation function. The theory is used to calculate phase diagram of systems of soft spheres interacting via inverse power potentials u (r ) =ɛ "close="1 /n )">σ /r n , where parameter n measures softness of the potential. We find that for 1 /n ≥0.154 the body-centred-cubic (bcc) structure is preferred. The bcc structure transforms into the fcc structure upon increasing the density. The calculated phase diagram is in good agreement with the one found from molecular simulations.

  2. Mechanisms for pressure-induced crystal-crystal transition, amorphization, and devitrification of Snl4

    DOE PAGES

    Liu, Hanyu; Tse, John S.; Hu, Michael Y.; ...

    2015-10-27

    The pressure-induced amorphization and subsequent recrystallization of SnI4 have been investigated using first principles molecular dynamics calculations together with high-pressure 119Sn nuclear resonant inelastic x-ray scattering measurements. Above ~8 GPa, we observe a transformation from an ambient crystalline phase to an intermediate crystal structure and a subsequent recrystallization into a cubic phase at ~64 GPa. The crystalline-to-amorphous transition was identified on the basis of elastic compatibility criteria. The measured tin vibrational density of states shows large amplitude librations of SnI4 under ambient conditions. Although high pressure structures of SnI4 were thought to be determined by random packing of equal-sized spheres,more » we detected electron charge transfer in each phase. As a result, this charge transfer results in a crystal structure packing determined by larger than expected iodine atoms. (C) 2015 AIP Publishing LLC.« less

  3. Static and dynamic structures of spherical nonionic surfactant micelles during the disorder-order transition.

    PubMed

    Imai, M; Yoshida, I; Iwaki, T; Nakaya, K

    2005-01-22

    We have investigated the static and dynamic structures of nonionic surfactant micelles, a C(12)E(8)/water binary system, during the disorder-order transition using small angle x-ray scattering, static light scattering, and dynamic light scattering techniques. In the disordered phase, the micelles have spherical shape and intermicellar interactions are governed by the hard core and weak long ranged attractive potentials. With increase of the micellar concentration, the disordered micelles transform to the three characteristic ordered micellar phases, a hexagonally close packed lattice, a body centered cubic lattice, and an A15 lattice having area-minimizing structure. The stability of these phases is well explained by balance of a close packing rule and a minimal-area rule proposed by Ziherl and Kamien [Phys. Rev. Lett. 85, 3528 (2000)]. The role of hydrodynamic interactions in surfactant micellar solutions was compared with that in hard sphere colloidal particle suspensions.

  4. Liquid water in the domain of cubic crystalline ice Ic

    NASA Technical Reports Server (NTRS)

    Jenniskens, P.; Banham, S. F.; Blake, D. F.; McCoustra, M. R.

    1997-01-01

    Vapor-deposited amorphous water ice when warmed above the glass transition temperature (120-140 K), is a viscous liquid which exhibits a viscosity vs temperature relationship different from that of liquid water at room temperature. New studies of thin water ice films now demonstrate that viscous liquid water persists in the temperature range 140-210 K. where it coexists with cubic crystalline ice. The liquid character of amorphous water above the glass transition is demonstrated by (1) changes in the morphology of water ice films on a nonwetting surface observed in transmission electron microscopy (TEM) at around 175 K during slow warming, (2) changes in the binding energy of water molecules measured in temperature programmed desorption (TPD) studies, and (3) changes in the shape of the 3.07 micrometers absorption band observed in grazing angle reflection-absorption infrared spectroscopy (RAIRS) during annealing at high temperature. whereby the decreased roughness of the water surface is thought to cause changes in the selection rules for the excitation of O-H stretch vibrations. Because it is present over such a wide range of temperatures, we propose that this form of liquid water is a common material in nature. where it is expected to exist in the subsurface layers of comets and on the surfaces of some planets and satellites.

  5. Liquid water in the domain of cubic crystalline ice Ic.

    PubMed

    Jenniskens, P; Banham, S F; Blake, D F; McCoustra, M R

    1997-07-22

    Vapor-deposited amorphous water ice when warmed above the glass transition temperature (120-140 K), is a viscous liquid which exhibits a viscosity vs temperature relationship different from that of liquid water at room temperature. New studies of thin water ice films now demonstrate that viscous liquid water persists in the temperature range 140-210 K. where it coexists with cubic crystalline ice. The liquid character of amorphous water above the glass transition is demonstrated by (1) changes in the morphology of water ice films on a nonwetting surface observed in transmission electron microscopy (TEM) at around 175 K during slow warming, (2) changes in the binding energy of water molecules measured in temperature programmed desorption (TPD) studies, and (3) changes in the shape of the 3.07 micrometers absorption band observed in grazing angle reflection-absorption infrared spectroscopy (RAIRS) during annealing at high temperature. whereby the decreased roughness of the water surface is thought to cause changes in the selection rules for the excitation of O-H stretch vibrations. Because it is present over such a wide range of temperatures, we propose that this form of liquid water is a common material in nature. where it is expected to exist in the subsurface layers of comets and on the surfaces of some planets and satellites.

  6. Two-layer tubes from cubic crystals

    NASA Astrophysics Data System (ADS)

    Goldstein, R. V.; Gorodtsov, V. A.; Lisovenko, D. S.; Volkov, M. A.

    2016-12-01

    Effective Young's moduli and Poisson's ratios of two-layer tubes from cubic crystals have been analyzed theoretically. It is shown (using derived formulas for numerical estimates) that the mechanical properties of two-layer tube composites from auxetics and nonauxetics are not described by the mixture rule. It is demonstrated that the deviation of the effective modulus from the mixture rule predictions rapidly increases with an increase in Young's modulus of the nonauxetic components of a composite. It is established that, combining auxetics and nonauxetics in layered tubes, one can obtain, depending on the packing order in layers, either a strong increase or a decrease in auxeticity.

  7. Craniofacial Reconstruction Using Rational Cubic Ball Curves

    PubMed Central

    Majeed, Abdul; Mt Piah, Abd Rahni; Gobithaasan, R. U.; Yahya, Zainor Ridzuan

    2015-01-01

    This paper proposes the reconstruction of craniofacial fracture using rational cubic Ball curve. The idea of choosing Ball curve is based on its robustness of computing efficiency over Bezier curve. The main steps are conversion of Digital Imaging and Communications in Medicine (Dicom) images to binary images, boundary extraction and corner point detection, Ball curve fitting with genetic algorithm and final solution conversion to Dicom format. The last section illustrates a real case of craniofacial reconstruction using the proposed method which clearly indicates the applicability of this method. A Graphical User Interface (GUI) has also been developed for practical application. PMID:25880632

  8. Cherenkov and Scintillation Properties of Cubic Zirconium

    NASA Technical Reports Server (NTRS)

    Christl, M.J.; Adams, J.H.; Parnell, T.A.; Kuznetsov, E.N.

    2008-01-01

    Cubic zirconium (CZ) is a high index of refraction (n =2.17) material that we have investigated for Cherenkov counter applications. Laboratory and proton accelerator tests of an 18cc sample of CZ show that the expected fast Cherenkov response is accompanied by a longer scintillation component that can be separated by pulse shaping. This presents the possibility of novel particle spectrometers which exploits both properties of CZ. Other high index materials being examined for Cherenkov applications will be discussed. Results from laboratory tests and an accelerator exposure will be presented and a potential application in solar energetic particle instruments will be discussed

  9. Cubic Phases in Phosphatidylcholine-Cholesterol Mixtures: Cholesterol as Membrane 'Fusogen'

    SciTech Connect

    Tenchov, Boris G.; MacDonald, Robert C.; Siegel, David P.

    2010-01-18

    X-ray diffraction reveals that mixtures of some unsaturated phosphatidylcholines (PCs) with cholesterol (Chol) readily form inverted bicontinuous cubic phases that are stable under physiological conditions. This effect was studied in most detail for dioleoyl PC/Chol mixtures with molar ratios of 1:1 and 3:7. Facile formation of Im3m and Pn3m phases with lattice constants of 30-50nm and 25-30nm, respectively, took place in phosphate-buffered saline, in sucrose solution, and in water near the temperature of the L{alpha}HII transition of the mixtures, as well as during cooling of the HII phase. Once formed, the cubic phases displayed an ability to supercool and replace the initial L{sub {alpha}} phase over a broad range of physiological temperatures. Conversion into stable cubic phases was also observed for mixtures of Chol with dilinoleoyl PC but not for mixtures with palmitoyl-linoleoyl PC or palmitoyl-oleoyl PC, for which only transient cubic traces were recorded at elevated temperatures. A saturated, branched-chain PC, diphytanoyl PC, also displayed a cubic phase in mixture with Chol. Unlike the PEs, the membrane PCs are intrinsically nonfusogenic lipids: in excess water they only form lamellar phases and not any of the inverted phases on their own. Thus, the finding that Chol induces cubic phases in mixtures with unsaturated PCs may have important implications for its role in fusion. In ternary mixtures, saturated PCs and sphingomyelin are known to separate into liquid-ordered domains along with Chol. Our results thus suggest that unsaturated PCs, which are excluded from these domains, could form fusogenic domains with Chol. Such a dual role of Chol may explain the seemingly paradoxical ability of cell membranes to simultaneously form rigid, low-curvature raft-like patches while still being able to undergo facile membrane fusion.

  10. Scaling for hard-sphere colloidal glasses near jamming

    NASA Astrophysics Data System (ADS)

    Zargar, Rojman; DeGiuli, Eric; Bonn, Daniel

    2016-12-01

    Hard-sphere colloids are model systems in which to study the glass transition and universal properties of amorphous solids. Using covariance matrix analysis to determine the vibrational modes, we experimentally measure here the scaling behavior of the density of states, shear modulus, and mean-squared displacement (MSD) in a hard-sphere colloidal glass. Scaling the frequency with the boson-peak frequency, we find that the density of states at different volume fractions all collapse on a single master curve, which obeys a power law in terms of the scaled frequency. Below the boson peak, the exponent is consistent with theoretical results obtained by real-space and phase-space approaches to understanding amorphous solids. We find that the shear modulus and the MSD are nearly inversely proportional, and show a singular power-law dependence on the distance from random close packing. Our results are in very good agreement with the theoretical predictions.

  11. Floating behavior of hydrophobic glass spheres.

    PubMed

    Liu, Xinjie; Wang, Xiaolong; Liang, Yongmin; Zhou, Feng

    2009-08-15

    When a hydrophobic solid sphere is floating on water or salt solutions with different concentrations, it is at equilibrium under the impact of gravity, buoyancy force, and curvature force, the component of surface tension in the vertical direction. We have changed the diameters of the spheres and the concentrations of the two selected salts, NaCl and NaNO(3), to study the floating behaviors of these spheres and the contributions of surface tension and buoyancy force to their floatation. Generally speaking, the surface tension plays a more important role than the buoyancy force when the gravity is small, but the buoyancy force plays an identical or a more important role when the spheres are big enough. The wettability of the spheres significantly influences the height below the contact perimeter especially in salt solutions. The theoretical calculation meniscus slope angles at the sphere three-phase contact line are in agreement with experimental results.

  12. Sphere-Pac Evaluation for Transmutation

    SciTech Connect

    Icenhour, A.S.

    2005-05-19

    The U.S. Department of Energy Advanced Fuel Cycle Initiative (AFCI) is sponsoring a project at Oak Ridge National Laboratory with the objective of conducting the research and development necessary to evaluate the use of sphere-pac transmutation fuel. Sphere-pac fuels were studied extensively in the 1960s and 1970s. More recently, this fuel form is being studied internationally as a potential plutonium-burning fuel. For transmutation fuel, sphere-pac fuels have potential advantages over traditional pellet-type fuels. This report provides a review of development efforts related to the preparation of sphere-pac fuels and their irradiation tests. Based on the results of these tests, comparisons with pellet-type fuels are summarized, the advantages and disadvantages of using sphere-pac fuels are highlighted, and sphere-pac options for the AFCI are recommended. The Oak Ridge National Laboratory development activities are also outlined.

  13. Sphere Drag and Heat Transfer

    PubMed Central

    Duan, Zhipeng; He, Boshu; Duan, Yuanyuan

    2015-01-01

    Modelling fluid flows past a body is a general problem in science and engineering. Historical sphere drag and heat transfer data are critically examined. The appropriate drag coefficient is proposed to replace the inertia type definition proposed by Newton. It is found that the appropriate drag coefficient is a desirable dimensionless parameter to describe fluid flow physical behavior so that fluid flow problems can be solved in the simple and intuitive manner. The appropriate drag coefficient is presented graphically, and appears more general and reasonable to reflect the fluid flow physical behavior than the traditional century old drag coefficient diagram. Here we present drag and heat transfer experimental results which indicate that there exists a relationship in nature between the sphere drag and heat transfer. The role played by the heat flux has similar nature as the drag. The appropriate drag coefficient can be related to the Nusselt number. This finding opens new possibilities in predicting heat transfer characteristics by drag data. As heat transfer for flow over a body is inherently complex, the proposed simple means may provide an insight into the mechanism of heat transfer for flow past a body. PMID:26189698

  14. Sphere Drag and Heat Transfer.

    PubMed

    Duan, Zhipeng; He, Boshu; Duan, Yuanyuan

    2015-07-20

    Modelling fluid flows past a body is a general problem in science and engineering. Historical sphere drag and heat transfer data are critically examined. The appropriate drag coefficient is proposed to replace the inertia type definition proposed by Newton. It is found that the appropriate drag coefficient is a desirable dimensionless parameter to describe fluid flow physical behavior so that fluid flow problems can be solved in the simple and intuitive manner. The appropriate drag coefficient is presented graphically, and appears more general and reasonable to reflect the fluid flow physical behavior than the traditional century old drag coefficient diagram. Here we present drag and heat transfer experimental results which indicate that there exists a relationship in nature between the sphere drag and heat transfer. The role played by the heat flux has similar nature as the drag. The appropriate drag coefficient can be related to the Nusselt number. This finding opens new possibilities in predicting heat transfer characteristics by drag data. As heat transfer for flow over a body is inherently complex, the proposed simple means may provide an insight into the mechanism of heat transfer for flow past a body.

  15. Microgravity and the Formation of Latex Spheres

    NASA Technical Reports Server (NTRS)

    1982-01-01

    This set of photographs illustrates the value of microgravity in the formation of latex spheres. The image at left shows irregular spheres produced on Earth, while the photograph at right shows uniform spheres produced during the STS-3 mission, March 22 - 30, 1982, in the Monodisperse Latex Reactor, developed by the Marshall Space Flight Center and Lehigh University. The Marshall-managed MLR experiment demonstrated the feasibility of producing monodisperse polystyrene latex microspheres in space and their application to medicine and industry.

  16. Process for making hollow carbon spheres

    DOEpatents

    Luhrs, Claudia C.; Phillips, Jonathan; Richard, Monique N.; Knapp, Angela Michelle

    2013-04-16

    A hollow carbon sphere having a carbon shell and an inner core is disclosed. The hollow carbon sphere has a total volume that is equal to a volume of the carbon shell plus an inner free volume within the carbon shell. The inner free volume is at least 25% of the total volume. In some instances, a nominal diameter of the hollow carbon sphere is between 10 and 180 nanometers.

  17. Porous Ceramic Spheres from Ion Exchange Resin

    NASA Technical Reports Server (NTRS)

    Dynys, Fred

    2005-01-01

    A commercial cation ion exchange resin, cross-linked polystyrene, has been successfully used as a template to fabricate 20 to 50 micron porous ceramic spheres. Ion exchange resins have dual template capabilities. Pore architecture of the ceramic spheres can be altered by changing the template pattern. Templating can be achieved by utilizing the internal porous structure or the external surface of the resin beads. Synthesis methods and chemical/physical characteristics of the ceramic spheres will be reported.

  18. Science off the Sphere: Earth in Infrared

    NASA Video Gallery

    International Space Station Expedition 30 astronaut Don Pettit views cities, agricultural areas and deserts using an infrared camera for 'Science off the Sphere.' Through a partnership between NASA...

  19. Dynamical interactions between two uniformly magnetized spheres

    NASA Astrophysics Data System (ADS)

    Edwards, Boyd F.; Edwards, John M.

    2017-01-01

    Studies of the two-dimensional motion of a magnet sphere in the presence of a second, fixed sphere provide a convenient venue for exploring magnet-magnet interactions, inertia, friction, and rich nonlinear dynamical behavior. These studies exploit the equivalence of these magnetic interactions to the interactions between two equivalent point dipoles. We show that magnet-magnet friction plays a role when magnet spheres are in contact, table friction plays a role at large sphere separations, and eddy currents are always negligible. Web-based simulation and visualization software, called MagPhyx, is provided for education, exploration, and discovery.

  20. Method for producing small hollow spheres

    DOEpatents

    Hendricks, C.D.

    1979-01-09

    Method is disclosed for producing small hollow spheres of glass, metal or plastic, wherein the sphere material is mixed with or contains as part of the composition a blowing agent which decomposes at high temperature (T [approx gt] 600 C). As the temperature is quickly raised, the blowing agent decomposes and the resulting gas expands from within, thus forming a hollow sphere of controllable thickness. The thus produced hollow spheres (20 to 10[sup 3] [mu]m) have a variety of application, and are particularly useful in the fabrication of targets for laser implosion such as neutron sources, laser fusion physics studies, and laser initiated fusion power plants. 1 fig.

  1. Method for producing small hollow spheres

    DOEpatents

    Hendricks, Charles D. [Livermore, CA

    1979-01-09

    Method for producing small hollow spheres of glass, metal or plastic, wherein the sphere material is mixed with or contains as part of the composition a blowing agent which decomposes at high temperature (T .gtorsim. 600.degree. C). As the temperature is quickly raised, the blowing agent decomposes and the resulting gas expands from within, thus forming a hollow sphere of controllable thickness. The thus produced hollow spheres (20 to 10.sup.3 .mu.m) have a variety of application, and are particularly useful in the fabrication of targets for laser implosion such as neutron sources, laser fusion physics studies, and laser initiated fusion power plants.

  2. Magnetic torque on a rotating superconducting sphere

    NASA Technical Reports Server (NTRS)

    Holdeman, L. B.

    1975-01-01

    The London theory of superconductivity is used to calculate the torque on a superconducting sphere rotating in a uniform applied magnetic field. The London theory is combined with classical electrodynamics for a calculation of the direct effect of excess charge on a rotating superconducting sphere. Classical electrodynamics, with the assumption of a perfect Meissner effect, is used to calculate the torque on a superconducting sphere rotating in an arbitrary magnetic induction; this macroscopic approach yields results which are correct to first order. Using the same approach, the torque due to a current loop encircling the rotating sphere is calculated.

  3. Small-world networks on a sphere

    NASA Astrophysics Data System (ADS)

    Corso, Gilberto; Torres Cruz, Claudia P.

    2017-01-01

    The Small-World Network on a Sphere SWNS is a non-crossing network that has no hubs and presents the small-world property diam log N with diam being the maximal distance between any two vertices and N being the number of vertices. The SWNS is constructed using a partition of the sphere and the parallels are regular sections of the sphere with constant latitude. The number of cells on the parallels, however, increases exponentially from the pole to the equator of the sphere. We analytically compute the distribution of connectivity, the clustering coefficient and the SWNS distances. The resilience of the model against selective attacks is also discussed.

  4. Aperture correction for a sphere interferometer

    NASA Astrophysics Data System (ADS)

    Arnold Nicolaus, R.; Bönsch, Gerhard

    2009-12-01

    Considerations have been made to derive a correction for the diameter measurements of a sphere by means of a special sphere interferometer. This correction is caused by the finite diameter of the light source acting as the entrance 'pinhole' aperture in the light collimating system. The finite diameter has the effect that the wave which is incident on the sphere is a superposition of spherical waves which are slightly inclined with respect to each other. The resulting correction is essential for high accuracy dimensional measurements of silicon spheres to determine the Avogadro constant—a new determination of which is a contribution to a new definition of the kilogram.

  5. Chimera grid simulations of falling spheres

    NASA Astrophysics Data System (ADS)

    Hauser, Thomas; Schauerhamer, Daniel

    2007-11-01

    Many applications involve modeling a system with moving objects larger than the grid, such as air pollution, combustion systems, accident simulations, chemical and agricultural processes. The chimera grid approach is an efficient approach to solve such problems. Simulations of one sphere falling under the influence of gravity and suction through an orifice will be presented. Additionally, we will demonstrate collisions between two moving spheres. In this simulation the setup is the same as in the one sphere case, but two spheres are placed side by side. Both are released to be acted upon by gravity, the suction, and each other.

  6. Directed synthesis of stable large polyoxomolybdate spheres.

    PubMed

    Roy, Soumyajit; Bossers, Lydia C A M; Meeldijk, Hans J D; Kuipers, Bonny W M; Kegel, Willem K

    2008-02-05

    Polyoxometalates or POMs, a class of inorganic transition metal-oxide based clusters, have gained significant interest owing to their catalytic, magnetic, and material science applications. All such applications require high surface area POM based materials. However, chemically synthesized POMs are still at most in the range of a few nanometers, with their size and morphology being difficult to control. Hence, there is an immediate need to develop design principles that allow easy control of POM morphology and size on mesoscopic (50-500 nm) length scales. Here, we report a design strategy to meet this need. Our method reported here avoids a complex chemical labyrinth by using a prefabricated cationic 1,2-dioleol-3-trimethylammonium-propane (DOTAP) vesicle as a scaffold/structure directing agent and gluing simple anionic heptamolybdates by electrostatic interaction and hydrogen bonds to form large POM spheres. By this method, complexity in the resulting structure can be deliberately induced either via the scaffold or via the oxometalate. The high degree of control in the matter of the size and morphology of the resulting POM superstructures renders this method attractive from a synthetic standpoint.

  7. Dynamics of hard sphere colloidal dispersions

    NASA Technical Reports Server (NTRS)

    Zhu, J. X.; Chaikin, Paul M.; Phan, S.-E.; Russel, W. B.

    1994-01-01

    Our objective is to perform on homogeneous, fully equilibrated dispersions the full set of experiments characterizing the transition from fluid to solid and the properties of the crystalline and glassy solid. These include measurements quantifying the nucleation and growth of crystallites, the structure of the initial fluid and the fully crystalline solid, and Brownian motion of particles within the crystal, and the elasticity of the crystal and the glass. Experiments are being built and tested for ideal microgravity environment. Here we describe the ground based effort, which exploits a fluidized bed to create a homogeneous, steady dispersion for the studies. The differences between the microgravity environment and the fluidized bed is gauged by the Peclet number Pe, which measures the rate of convection/sedimentation relative to Brownian motion. We have designed our experiment to accomplish three types of measurements on hard sphere suspensions in a fluidized bed: the static scattering intensity as a function of angle to determine the structure factor, the temporal autocorrelation function at all scattering angles to probe the dynamics, and the amplitude of the response to an oscillatory forcing to deduce the low frequency viscoelasticity. Thus the scattering instrument and the colloidal dispersion were chosen such as that the important features of each physical property lie within the detectable range for each measurement.

  8. Magnetic and thermodynamic properties of face-centered cubic Fe-Ni alloys.

    PubMed

    Lavrentiev, M Yu; Wróbel, J S; Nguyen-Manh, D; Dudarev, S L

    2014-08-14

    A model lattice ab initio parameterized Heisenberg-Landau magnetic cluster expansion Hamiltonian spanning a broad range of alloy compositions and a large variety of chemical and magnetic configurations has been developed for face-centered cubic Fe-Ni alloys. The thermodynamic and magnetic properties of the alloys are explored using configuration and magnetic Monte Carlo simulations over a temperature range extending well over 1000 K. The predicted face-centered cubic-body-centered cubic coexistence curve, the phase stability of ordered Fe3Ni, FeNi, and FeNi3 intermetallic compounds, and the predicted temperatures of magnetic transitions simulated as functions of alloy composition agree well with experimental observations. Simulations show that magnetic interactions stabilize the face-centered cubic phase of Fe-Ni alloys. Both the model Hamiltonian simulations and ab initio data exhibit a particularly large number of magnetic configurations in a relatively narrow range of alloy compositions corresponding to the occurrence of the Invar effect.

  9. Absence of Metallic Conductivity in Tetragonal and Cubic PbVO3 at High Pressure

    NASA Astrophysics Data System (ADS)

    Belik, Alexei A.; Yamauchi, Touru; Ueda, Hiroaki; Ueda, Yutaka; Yusa, Hitoshi; Hirao, Naohisa; Azuma, Masaki

    2014-07-01

    Transport properties of PbVO3, a material whose structural and electronic properties bear similarities with high-temperature copper superconductors, were investigated between 2 and 300 K and in the pressure range of 0.1 MPa and 11.3 GPa. There is a structural phase transition from about 2 GPa at room temperature from a super-tetragonal phase to a cubic phase with a significant drop of resistivity by about 5 orders of magnitude. Nevertheless, the cubic phase exhibited a semiconducting behavior of resistivity between 2 and 300 K up to 11.3 GPa. The pressure dependence of lattice parameters of the tetragonal and cubic phases was in very good agreement with results of first-principle calculations from http://dx.doi.org/10.1088/0953-8984/24/43/435403, J. Phys.: Condens. Matter 24, 435403 (2012). Fitting with the Birch-Murnaghan equation of states gave a bulk modulus K0 = 38.0(1.1) GPa and a unit cell volume V0 = 67.63(6) Å3 for the tetragonal phase and K0 = 179.5(1.4) GPa and V0 = 58.272(14) Å3 for the cubic phase.

  10. Dynamical simulations of sedimenting spheres

    SciTech Connect

    Ladd, A.J.C. )

    1993-02-01

    The sedimentation of monodisperse suspensions of rigid spheres has been studied by dynamical simulation; computational techniques are described and numerical results are reported. It has been found that there is a slow relaxation of the suspension microstructure during sedimentation, so that compared with the initial equilibrium distribution, there is an increased number of pairs of particles near contact; this leads to a 5%--10% increase in the average sedimentation velocity. Individual particle velocities fluctuate about the mean fall speed; these fluctuations are large and persist for long times. The resulting hydrodynamically induced dispersion of the particles can be characterized by strongly anisotropic diffusion coefficients; however, the dispersion process is non-Fickian at high solids concentrations.

  11. Phononic crystals of poroelastic spheres

    NASA Astrophysics Data System (ADS)

    Alevizaki, A.; Sainidou, R.; Rembert, P.; Morvan, B.; Stefanou, N.

    2016-11-01

    An extension of the layer-multiple-scattering method to phononic crystals of poroelastic spheres immersed in a fluid medium is developed. The applicability of the method is demonstrated on specific examples of close-packed fcc crystals of submerged water-saturated meso- and macroporous silica microspheres. It is shown that, by varying the pore size and/or the porosity, the transmission, reflection, and absorption spectra of finite slabs of these crystals are significantly altered. Strong absorption, driven by the slow waves in the poroelastic material and enhanced by multiple scattering, leads to negligible transmittance over an extended frequency range, which might be useful for practical applications in broadband acoustic shielding. The results are analyzed by reference to relevant phononic dispersion diagrams in the viscous and inertial coupling limits, and a consistent interpretation of the underlying physics is provided.

  12. Polarization conversion in cubic Raman crystals

    NASA Astrophysics Data System (ADS)

    McKay, Aaron; Sabella, Alexander; Mildren, Richard P.

    2017-02-01

    Nonlinear conversion of unpolarized beams to lower frequencies is generally inefficient in c(2) materials, as it is challenging to achieve phase-matching for input ordinary and extraordinary beams simultaneously in the normal dispersion regime. Here, we show that cubic Raman crystals having doubly and triply degenerate (E and F type) modes provide a method for efficient nonlinear frequency downconversion of an unpolarized beam and yield a linearly polarized output state. Using Mueller calculus, optimal crystal directions for such polarization conversion are determined. Using diamond, an example of an F-class Raman crystal, we have verified that such conversion is possible with near quantum-defect-limited slope efficiency and a linear polarization contrast of more than 23.9 dB.

  13. Cubic meter volume optical coherence tomography.

    PubMed

    Wang, Zhao; Potsaid, Benjamin; Chen, Long; Doerr, Chris; Lee, Hsiang-Chieh; Nielson, Torben; Jayaraman, Vijaysekhar; Cable, Alex E; Swanson, Eric; Fujimoto, James G

    2016-12-01

    Optical coherence tomography (OCT) is a powerful three-dimensional (3D) imaging modality with micrometer-scale axial resolution and up to multi-GigaVoxel/s imaging speed. However, the imaging range of high-speed OCT has been limited. Here, we report 3D OCT over cubic meter volumes using a long coherence length, 1310 nm vertical-cavity surface-emitting laser and silicon photonic integrated circuit dual-quadrature receiver technology combined with enhanced signal processing. We achieved 15 µm depth resolution for tomographic imaging at a 100 kHz axial scan rate over a 1.5 m range. We show 3D macroscopic imaging examples of a human mannequin, bicycle, machine shop gauge blocks, and a human skull/brain model. High-bandwidth, meter-range OCT demonstrates new capabilities that promise to enable a wide range of biomedical, scientific, industrial, and research applications.

  14. Polarization conversion in cubic Raman crystals

    PubMed Central

    McKay, Aaron; Sabella, Alexander; Mildren, Richard P.

    2017-01-01

    Nonlinear conversion of unpolarized beams to lower frequencies is generally inefficient in c(2) materials, as it is challenging to achieve phase-matching for input ordinary and extraordinary beams simultaneously in the normal dispersion regime. Here, we show that cubic Raman crystals having doubly and triply degenerate (E and F type) modes provide a method for efficient nonlinear frequency downconversion of an unpolarized beam and yield a linearly polarized output state. Using Mueller calculus, optimal crystal directions for such polarization conversion are determined. Using diamond, an example of an F-class Raman crystal, we have verified that such conversion is possible with near quantum-defect-limited slope efficiency and a linear polarization contrast of more than 23.9 dB. PMID:28169327

  15. Cubic meter volume optical coherence tomography

    PubMed Central

    WANG, ZHAO; POTSAID, BENJAMIN; CHEN, LONG; DOERR, CHRIS; LEE, HSIANG-CHIEH; NIELSON, TORBEN; JAYARAMAN, VIJAYSEKHAR; CABLE, ALEX E.; SWANSON, ERIC; FUJIMOTO, JAMES G.

    2017-01-01

    Optical coherence tomography (OCT) is a powerful three-dimensional (3D) imaging modality with micrometer-scale axial resolution and up to multi-GigaVoxel/s imaging speed. However, the imaging range of high-speed OCT has been limited. Here, we report 3D OCT over cubic meter volumes using a long coherence length, 1310 nm vertical-cavity surface-emitting laser and silicon photonic integrated circuit dual-quadrature receiver technology combined with enhanced signal processing. We achieved 15 µm depth resolution for tomographic imaging at a 100 kHz axial scan rate over a 1.5 m range. We show 3D macroscopic imaging examples of a human mannequin, bicycle, machine shop gauge blocks, and a human skull/brain model. High-bandwidth, meter-range OCT demonstrates new capabilities that promise to enable a wide range of biomedical, scientific, industrial, and research applications. PMID:28239628

  16. A smoothing algorithm using cubic spline functions

    NASA Technical Reports Server (NTRS)

    Smith, R. E., Jr.; Price, J. M.; Howser, L. M.

    1974-01-01

    Two algorithms are presented for smoothing arbitrary sets of data. They are the explicit variable algorithm and the parametric variable algorithm. The former would be used where large gradients are not encountered because of the smaller amount of calculation required. The latter would be used if the data being smoothed were double valued or experienced large gradients. Both algorithms use a least-squares technique to obtain a cubic spline fit to the data. The advantage of the spline fit is that the first and second derivatives are continuous. This method is best used in an interactive graphics environment so that the junction values for the spline curve can be manipulated to improve the fit.

  17. Curvature and Tangency Handles for Control of Convex Cubic Shapes

    DTIC Science & Technology

    2000-01-01

    looked at A-splines constructed with segments of singular al- gebraic cubics, which are just rational cubics, with new, geometrically more meaningful...contact interpolation , and curvatures at three prescribed points, see Figures 1-4. Curve and Surface Design: Saint-Malo 1999 91 Pierre-Jean Laurent...curvature at one contact point. §2. Barycentric Coordinates and Curvature at the Endpoints The general algebraic cubic in cartesian coordinates x, y is

  18. The "Magical" Sphere: Uncovering the Secret

    ERIC Educational Resources Information Center

    Petruševski, Vladimir M.; Bukleski, Miha

    2006-01-01

    A red sphere is seen at the bottom of a sealed glass tube filled with a colorless, transparent liquid. Holding the tube for a short period makes the sphere rise slowly from the bottom until it finally floats on the surface of the liquid. Instructions for preparing the demonstration are given, together with an explanation of the phenomenon. A…

  19. Critical behavior in the cubic dimer model at nonzero monomer density

    NASA Astrophysics Data System (ADS)

    Sreejith, G. J.; Powell, Stephen

    2014-01-01

    We study critical behavior in the classical cubic dimer model (CDM) in the presence of a finite density of monomers. With attractive interactions between parallel dimers, the monomer-free CDM exhibits an unconventional transition from a Coulomb phase to a dimer crystal. Monomers act as charges (or monopoles) in the Coulomb phase and, at nonzero density, lead to a standard Landau-type transition. We use large-scale Monte Carlo simulations to study the system in the neighborhood of the critical point, and find results in agreement with detailed predictions of scaling theory. Going beyond previous studies of the transition in the absence of monomers, we explicitly confirm the distinction between conventional and unconventional criticality, and quantitatively demonstrate the crossover between the two. Our results also provide additional evidence for the theoretical claim that the transition in the CDM belongs in the same universality class as the deconfined quantum critical point in the SU (2) JQ model.

  20. Nonlocal Elasticity near Jamming in Frictionless Soft Spheres

    NASA Astrophysics Data System (ADS)

    Baumgarten, Karsten; Vâgberg, Daniel; Tighe, Brian P.

    2017-03-01

    We use simulations of frictionless soft sphere packings to identify novel constitutive relations for linear elasticity near the jamming transition. By forcing packings at varying wavelengths, we directly access their transverse and longitudinal compliances. These are found to be wavelength dependent, in violation of conventional (local) linear elasticity. Crossovers in the compliances select characteristic length scales, which signify the appearance of nonlocal effects. Two of these length scales diverge as the pressure vanishes, indicating that critical effects near jamming control the breakdown of local elasticity. We expect these nonlocal constitutive relations to be applicable to a wide range of weakly jammed solids, including emulsions, foams, and granulates.

  1. Low pressure growth of cubic boron nitride films

    NASA Technical Reports Server (NTRS)

    Ong, Tiong P. (Inventor); Shing, Yuh-Han (Inventor)

    1997-01-01

    A method for forming thin films of cubic boron nitride on substrates at low pressures and temperatures. A substrate is first coated with polycrystalline diamond to provide a uniform surface upon which cubic boron nitride can be deposited by chemical vapor deposition. The cubic boron nitride film is useful as a substitute for diamond coatings for a variety of applications in which diamond is not suitable. any tetragonal or hexagonal boron nitride. The cubic boron nitride produced in accordance with the preceding example is particularly well-suited for use as a coating for ultra hard tool bits and abrasives, especially those intended to use in cutting or otherwise fabricating iron.

  2. Linear and nonlinear response in sheared soft spheres

    NASA Astrophysics Data System (ADS)

    Tighe, Brian

    2013-11-01

    Packings of soft spheres provide an idealized model of foams, emulsions, and grains, while also serving as the canonical example of a system undergoing a jamming transition. Packings' mechanical response has now been studied exhaustively in the context of ``strict linear response,'' i.e. by linearizing about a stable static packing and solving the resulting equations of motion. Both because the system is close to a critical point and because the soft sphere pair potential is non-analytic at the point of contact, it is reasonable to ask under what circumstances strict linear response provides a good approximation to the actual response. We simulate sheared soft sphere packings close to jamming and identify two distinct strain scales: (i) the scale on which strict linear response fails, coinciding with a topological change in the packing's contact network; and (ii) the scale on which linear superposition of the averaged stress-strain curve breaks down. This latter scale provides a ``weak linear response'' criterion and is likely to be more experimentally relevant.

  3. Docosapentaenoic acid (DPA) is a critical determinant of cubic membrane formation in amoeba Chaos mitochondria.

    PubMed

    Deng, Yuru; Almsherqi, Zakaria A; Shui, Guanghou; Wenk, Markus R; Kohlwein, Sepp D

    2009-09-01

    Very long-chain polyunsaturated fatty acids (VLC-PUFAs), such as docosahexaenoic acid (DHA) and docosapentaenoic acid (DPA), have recently made it to the realm of "magical molecules" based on their multiple presumably beneficial effects in biological systems, making these PUFAs particularly interesting in biomedicine. Their specific biological functions, however, remain enigmatic. Here we provide evidence derived from studies in the amoeba Chaos that indicates a structural role for omega-6 DPA in cell membrane organization, which may help to explain the multiple diverse effects of VLC-PUFA in healthy and diseased states. Amoeba Chaos mitochondria undergo a remarkable and reversible morphological transition into cubic morphology on starvation. This morphological transition is reflected in major changes in fatty acid and lipid composition, as determined by gas liquid chromatography and mass spectrometry, in particular by a drastic increase in C22:5 modified phosphatidylcholine plasmalogen, phosphatidylethanolamine plasmalogen, and phosphatidylinositol species. Liposomes produced in vitro from lipids of starved amoeba cells show a high propensity to form hexagonal tubular and cubic morphologies. Addition of omega-6 DPA, but not of omega-3 DPA, to the cell culture also induced mitochondrial membrane transformation into cubic morphology in fed cells, demonstrating for the first time an important structural role of omega-6 DPA-containing lipids in cell membrane organization.

  4. Mechanisms for pressure-induced crystal-crystal transition, amorphization, and devitrification of Snl4

    SciTech Connect

    Liu, Hanyu; Tse, John S.; Hu, Michael Y.; Bi, Wenli; Zhao, Jiyong; Alp, E. Ercan; Pasternak, Moshe; Taylor, R. Dean; Lashley, Jason C.

    2015-10-27

    The pressure-induced amorphization and subsequent recrystallization of SnI4 have been investigated using first principles molecular dynamics calculations together with high-pressure 119Sn nuclear resonant inelastic x-ray scattering measurements. Above ~8 GPa, we observe a transformation from an ambient crystalline phase to an intermediate crystal structure and a subsequent recrystallization into a cubic phase at ~64 GPa. The crystalline-to-amorphous transition was identified on the basis of elastic compatibility criteria. The measured tin vibrational density of states shows large amplitude librations of SnI4 under ambient conditions. Although high pressure structures of SnI4 were thought to be determined by random packing of equal-sized spheres, we detected electron charge transfer in each phase. As a result, this charge transfer results in a crystal structure packing determined by larger than expected iodine atoms. (C) 2015 AIP Publishing LLC.

  5. Mechanisms for pressure-induced crystal-crystal transition, amorphization, and devitrification of SnI{sub 4}

    SciTech Connect

    Liu, H.; Tse, J. S.; Hu, M. Y.; Bi, W.; Zhao, J.; Alp, E. E.; Pasternak, M.; Taylor, R. D.; Lashley, J. C.

    2015-10-28

    The pressure-induced amorphization and subsequent recrystallization of SnI{sub 4} have been investigated using first principles molecular dynamics calculations together with high-pressure {sup 119}Sn nuclear resonant inelastic x-ray scattering measurements. Above ∼8 GPa, we observe a transformation from an ambient crystalline phase to an intermediate crystal structure and a subsequent recrystallization into a cubic phase at ∼64 GPa. The crystalline-to-amorphous transition was identified on the basis of elastic compatibility criteria. The measured tin vibrational density of states shows large amplitude librations of SnI{sub 4} under ambient conditions. Although high pressure structures of SnI{sub 4} were thought to be determined by random packing of equal-sized spheres, we detected electron charge transfer in each phase. This charge transfer results in a crystal structure packing determined by larger than expected iodine atoms.

  6. Cubic-quintic solitons in the checkerboard potential

    SciTech Connect

    Driben, Rodislav; Zyss, Joseph; Malomed, Boris A.; Gubeskys, Arthur

    2007-12-15

    We introduce a two-dimensional (2D) model which combines a checkerboard potential, alias the Kronig-Penney (KP) lattice, with the self-focusing cubic and self-defocusing quintic nonlinear terms. The beam-splitting mechanism and soliton multistability are explored in this setting, following the recently considered 1D version of the model. Families of single- and multi-peak solitons (in particular, five- and nine-peak species naturally emerge in the 2D setting) are found in the semi-infinite gap, with both branches of bistable families being robust against perturbations. For single-peak solitons, the variational approximation (VA) is developed, providing for a qualitatively correct description of the transition from monostability to the bistability. 2D solitons found in finite band gaps are unstable. Also constructed are two different species of stable vortex solitons, arranged as four-peak patterns ('oblique' and 'straight' ones). Unlike them, compact 'crater-shaped' vortices are unstable, transforming themselves into randomly walking fundamental beams.

  7. Mechanical properties for irradiated face-centred cubic nanocrystalline metals.

    PubMed

    Xiao, X Z; Song, D K; Chu, H J; Xue, J M; Duan, H L

    2015-05-08

    In this paper, a self-consistent plasticity theory is proposed to model the mechanical behaviours of irradiated face-centred cubic nanocrystalline metals. At the grain level, a tensorial crystal model with both irradiation and grain size effects is applied for the grain interior (GI), whereas both grain boundary (GB) sliding with irradiation effect and GB diffusion are considered in modelling the behaviours of GBs. The elastic-viscoplastic self-consistent method with considering grain size distribution is developed to transit the microscopic behaviour of individual grains to the macroscopic properties of nanocrystals (NCs). The proposed theory is applied to model the mechanical properties of irradiated NC copper, and the feasibility and efficiency have been validated by comparing with experimental data. Numerical results show that: (i) irradiation-induced defects can lead to irradiation hardening in the GIs, but the hardening effect decreases with the grain size due to the increasing absorption of defects by GBs. Meanwhile, the absorbed defects would make the GBs softer than the unirradiated case. (ii) There exists a critical grain size for irradiated NC metals, which separates the grain size into the irradiation hardening dominant region (above the critical size) and irradiation softening dominant region (below the critical size). (iii) The distribution of grain size has a significant influence on the mechanical behaviours of both irradiated and unirradiated NCs. The proposed model can offer a valid theoretical foundation to study the irradiation effect on NC materials.

  8. Tuning emission in violet, blue, green and red in cubic GaN/InGaN/GaN quantum wells

    NASA Astrophysics Data System (ADS)

    Orozco Hinostroza, I. E.; Avalos-Borja, M.; Compeán García, V. D.; Zamora, C. Cuellar; Rodríguez, A. G.; López Luna, E.; Vidal, M. A.

    2016-02-01

    Light emission in the three primary colors was achieved in cubic GaN/InGaN/GaN heterostructures grown by molecular beam epitaxy on MgO substrates in a single growth process. A heterostructure with four quantum wells with a width of 10 nm was grown; this quantum wells width decrease the segregation effect of In. Photoluminescence emission produced four different emission signals: violet, blue, green-yellow and red. Thus, we were able to tune energy transitions in the visible spectrum modifying the In concentration in cubic InxGa1-xN ternary alloy.

  9. Phase stability, electronic structure and equation of state of cubic TcN from first-principles calculations

    NASA Astrophysics Data System (ADS)

    Song, T.; Ma, Q.; Sun, X. W.; Liu, Z. J.; Fu, Z. J.; Wei, X. P.; Wang, T.; Tian, J. H.

    2016-09-01

    The phase transition, electronic band structure, and equation of state (EOS) of cubic TcN are investigated by first-principles pseudopotential method based on density-functional theory. The calculated enthalpies show that TcN has a transformation between zincblende and rocksalt phases and the pressure determined by the relative enthalpy is 32 GPa. The calculated band structure indicates the metallic feature and it might make cubic TcN a better candidate for hard materials. Particular attention is paid to the predictions of volume, bulk modulus and its pressure derivative which play a central role in the formulation of approximate EOSs using the quasi-harmonic Debye model.

  10. Magnetic properties of cubic FeCo nanoparticles with anisotropic long chain structure

    NASA Astrophysics Data System (ADS)

    Liu, Jinming; Wu, Kai; Wang, Jian-Ping

    2016-05-01

    Cubic FeCo alloy nanoparticles (NPs) with body-centered cubic (bcc) phase were prepared using sputter based gas-condensation method. When the NPs formed long chain assemblies, the magnetic properties were quite different from that of well-dispersed NPs. Most of the well-dispersed NPs were superparamagnetic at room temperature while the long chain NP assemblies were ferromagnetic with coercivities around 765 Oe, which displayed quite different magnetic properties. The ferromagnetism of long chain NPs was from the exchange coupling between NPs, which eventually led to the transition from superparamagnetism (SPM) to superferromagetism (SFM). Zero-field-cooled (ZFC) and field-cooled (FC) curves were obtained and long chain NP assemblies displayed ferromagnetism at the temperature ranging from 10 K to 400 K. Time-dependent remanent magnetic moment curves also indicated that the long chain structure had better thermal stability due to the strong exchange coupling.

  11. Cubical Shape Enhances the Interaction of Layer-by-Layer Polymeric Particles with Breast Cancer Cells

    PubMed Central

    Chen, Jun; Kuncewicz, Thomas; Kharlampieva, Eugenia; Godin, Biana

    2015-01-01

    Blood-borne objects display a non-spherical shape with in-flow dimensions much larger than the vascular endothelial fenestrations, yet, at the diseased state, are able to traverse through these fenestrations owing to their elasticity. The role of physical parameters including shape and elasticity in the behavior of objects found in the tumor microenvironment needs to be understood to ultimately enhance chemotherapy and minimize its side-effects. In this study, sphere and cube-shaped biocompatible elastic microparticles (EM) made via layer-by-layer (LbL) assembly of hydrogen-bonded tannic acid/poly(N-vinylpyrrolidone)/ (TA/PVPON) as hollow polymer shells and their rigid core-shell precursors (RM) are explored. In contrast to rigid 5-bilayer (TA/PVPON) core-shells, hollow shells are unrecognized by J774A.1 macrophages yet interact with endothelial and breast cancer cells. Internalization of cubical shells by HMVEC (endothelial) is 5-fold more efficient and 6- and 2.5-fold more efficient for MDA-MB-231 and by SUM159 (breast cancer cells), respectively, compared to spherical shells. The interaction of cubical (TA/PVPON)5 shells with endothelial cells is similar under 10 s−1 (characteristic of tumor vasculature) and 100 s−1 shear rate (normal vasculature) while it is decreased at 100 s−1 shear rate for the spherical shells. Our data suggest that cubical geometry promotes interaction of particles with breast cancer cells, while elasticity prevents engulfment by phagocytic cells in the tumor microenvironment. PMID:26424126

  12. Shape-dependent electrocatalysis: formic acid electrooxidation on cubic Pd nanoparticles.

    PubMed

    Vidal-Iglesias, Francisco J; Arán-Ais, Rosa M; Solla-Gullón, José; Garnier, Emmanuel; Herrero, Enrique; Aldaz, Antonio; Feliu, Juan M

    2012-08-07

    The electrocatalytic properties of palladium nanocubes towards the electrochemical oxidation of formic acid were studied in H(2)SO(4) and HClO(4) solutions and compared with those of spherical Pd nanoparticles. The spherical and cubic Pd nanoparticles were characterized by transmission electron microscopy (TEM) and X-ray diffraction (XRD). The intrinsic electrocatalytic properties of both nanoparticles were shown to be strongly dependent on the amount of metal deposited on the gold substrate. Thus, to properly compare the activity of both systems (spheres and nanocubes), the amount of sample has to be optimized to avoid problems due to a lower diffusion flux of reactants in the internal parts of the catalyst layer resulting in a lower apparent activity. Under the optimized conditions, the activity of the spheres and nanocubes was very similar between 0.1 and 0.35 V. From this potential value, the activity of the Pd nanocubes was remarkably higher. This enhanced electrocatalytic activity was attributed to the prevalence of Pd(100) facets in agreement with previous studies with Pd single crystal electrodes. The effect of HSO(4)(-)/SO(4)(2-) desorption-adsorption was also evaluated. The activity found in HClO(4) was significantly higher than that obtained in H(2)SO(4) in the whole potential range.

  13. Cubic ice and large humidity with respect to ice in cold cirrus clouds

    NASA Astrophysics Data System (ADS)

    Bogdan, A.; Loerting, T.

    2009-04-01

    Recently several studies have reported about the possible formation of cubic ice in upper-tropospheric cirrus ice clouds and its role in the observed elevated relative humidity with respect to hexagonal ice, RHi, within the clouds. Since cubic ice is metastable with respect to stable hexagonal ice, its vapour pressure is higher. A key issue in determining the ratio of vapour pressures of cubic ice Pc and hexagonal ice Ph is the enthalpy of transformation from cubic to hexagonal ice Hc→h. By dividing the two integrated forms of the Clausius-Clapeyron equation for cubic ice and hexagonal ice, one obtains the relationship (1): ln Pc-- ln P*c-=--(Hc→h--) Ph P*h R 1T-- 1T* (1) from which the importance of Hc→h is evident. In many literature studies the approximation (2) is used: ln Pc-= Hc-→h. Ph RT (2) Using this approximated form one can predict the ratio of vapour pressures by measuring Hc→h. Unfortunately, the measurement of Hc→h is difficult. First, the enthalpy difference is very small, and the transition takes place over a broad temperature range, e.g., between 230 K and 260 K in some of our calorimetry experiments. Second, cubic ice (by contrast to hexagonal ice) can not be produced as a pure crystal. It always contains hexagonal stacking faults, which are evidenced by the (111)-hexagonal Bragg peak in the powder diffractogram. If the number of hexagonal stacking faults in cubic ice is high, then one could even consider this material as hexagonal ice with cubic stacking faults. Using the largest literature value of the change of enthalpy of transformation from cubic to hexagonal ice, Hc→h ? 160 J/mol, Murphy and Koop (2005) calculated that Pc would be ~10% higher than that of hexagonal ice Phat 180 K - 190 K, which agrees with the measurements obtained later by Shilling et al. (2006). Based on this result Shilling et al. concluded that "the formation of cubic ice at T < 202 K may significantly contribute to the persistent in

  14. Scaled free energies, power-law potentials, strain pseudospins, and quasiuniversality for first-order structural transitions

    SciTech Connect

    Shenoy, S. R.; Lookman, T.; Saxena, A.

    2010-10-01

    We consider ferroelastic first-order phase transitions with N{sub OP} order-parameter strains entering Landau free energies as invariant polynomials that have N{sub V} structural-variant Landau minima. The total free energy includes (seemingly innocuous) harmonic terms, in the n=6-N{sub OP} nonorder-parameter strains. Four three-dimensional (3D) transitions are considered, tetragonal/orthorhombic, cubic/tetragonal, cubic/trigonal, and cubic/orthorhombic unit-cell distortions, with, respectively, N{sub OP}=1, 2, 3, and 2; and N{sub V}=2, 3, 4, and 6. Five two-dimensional (2D) transitions are also considered, as simpler examples. Following Barsch and Krumhansl, we scale the free energy to absorb most material-dependent elastic coefficients into an overall prefactor, by scaling in an overall elastic energy density; a dimensionless temperature variable; and the spontaneous-strain magnitude at transition {lambda}<<1. To leading order in {lambda} the scaled Landau minima become material independent, in a kind of ''quasiuniversality.'' The scaled minima in N{sub OP}-dimensional order-parameter space, fall at the center and at the N{sub V} corners, of a transition-specific polyhedron inscribed in a sphere, whose radius is unity at transition. The ''polyhedra'' for the four 3D transitions are, respectively, a line, a triangle, a tetrahedron, and a hexagon. We minimize the n terms harmonic in the nonorder-parameter strains, by substituting solutions of the ''no dislocation'' St Venant compatibility constraints, and explicitly obtain power-law anisotropic, order-parameter interactions, for all transitions. In a reduced discrete-variable description, the competing minima of the Landau free energies induce unit-magnitude pseudospin vectors, with N{sub V}+1 values, pointing to the polyhedra corners and the (zero-value) center. The total scaled free energies then become Z{sub N{sub V+1}} clocklike pseudospin Hamiltonians, with temperature-dependent local Landau terms, nearest

  15. Anomalies, conformal manifolds, and spheres

    DOE PAGES

    Gomis, Jaume; Hsin, Po-Shen; Komargodski, Zohar; ...

    2016-03-04

    The two-point function of exactly marginal operators leads to a universal contribution to the trace anomaly in even dimensions. We study aspects of this trace anomaly, emphasizing its interpretation as a sigma model, whose target space $M$ is the space of conformal field theories (a.k.a. the conformal manifold). When the underlying quantum field theory is supersymmetric, this sigma model has to be appropriately supersymmetrized. As examples, we consider in some detail $N$ = (2; 2) and $N$ = (0; 2) supersymmetric theories in d = 2 and $N$ = 2 supersymmetric theories in d = 4. This reasoning leads tomore » new information about the conformal manifolds of these theories, for example, we show that the manifold is K ahler-Hodge and we further argue that it has vanishing K ahler class. For $N$ = (2; 2) theories in d = 2 and N = 2 theories in d = 4 we also show that the relation between the sphere partition function and the K ahler potential of $M$ follows immediately from the appropriate sigma models that we construct. Ultimately, along the way we find several examples of potential trace anomalies that obey the Wess-Zumino consistency conditions, but can be ruled out by a more detailed analysis.« less

  16. Anomalies, conformal manifolds, and spheres

    SciTech Connect

    Gomis, Jaume; Hsin, Po-Shen; Komargodski, Zohar; Schwimmer, Adam; Seiberg, Nathan; Theisen, Stefan

    2016-03-04

    The two-point function of exactly marginal operators leads to a universal contribution to the trace anomaly in even dimensions. We study aspects of this trace anomaly, emphasizing its interpretation as a sigma model, whose target space $M$ is the space of conformal field theories (a.k.a. the conformal manifold). When the underlying quantum field theory is supersymmetric, this sigma model has to be appropriately supersymmetrized. As examples, we consider in some detail $N$ = (2; 2) and $N$ = (0; 2) supersymmetric theories in d = 2 and $N$ = 2 supersymmetric theories in d = 4. This reasoning leads to new information about the conformal manifolds of these theories, for example, we show that the manifold is K ahler-Hodge and we further argue that it has vanishing K ahler class. For $N$ = (2; 2) theories in d = 2 and N = 2 theories in d = 4 we also show that the relation between the sphere partition function and the K ahler potential of $M$ follows immediately from the appropriate sigma models that we construct. Ultimately, along the way we find several examples of potential trace anomalies that obey the Wess-Zumino consistency conditions, but can be ruled out by a more detailed analysis.

  17. Ceramic Spheres From Cation Exchange Beads

    NASA Technical Reports Server (NTRS)

    Dynys, F. W.

    2003-01-01

    Porous ZrO2 and hollow TiO2 spheres were synthesized from a strong acid cation exchange resin. Spherical cation exchange beads, polystyrene based polymer, were used as a morphological-directing template. Aqueous ion exchange reaction was used to chemically bind (ZrO)(2+) ions to the polystyrene structure. The pyrolysis of the polystyrene at 600 C produces porous ZrO2 spheres with a surface area of 24 sq m/g with a mean sphere size of 42 microns. Hollow TiO2 spheres were synthesized by using the beads as a micro-reactor. A direct surface reaction - between titanium isopropoxide and the resin beads forms a hydrous TiO2 shell around the polystyrene core. The pyrolysis of the polystyrene core at 600 C produces hollow anatase spheres with a surface area of 42 sq m/g with a mean sphere size of 38 microns. The formation of ceramic spheres was studied by XRD, SEM and B.E.T. nitrogen adsorption measurements.

  18. Cubic Polynomials with Real or Complex Coefficients: The Full Picture

    ERIC Educational Resources Information Center

    Bardell, Nicholas S.

    2016-01-01

    The cubic polynomial with real coefficients has a rich and interesting history primarily associated with the endeavours of great mathematicians like del Ferro, Tartaglia, Cardano or Vieta who sought a solution for the roots (Katz, 1998; see Chapter 12.3: The Solution of the Cubic Equation). Suffice it to say that since the times of renaissance…

  19. Smooth cubic commensurate oxides on gallium nitride

    SciTech Connect

    Paisley, Elizabeth A.; Gaddy, Benjamin E.; LeBeau, James M.; Shelton, Christopher T.; Losego, Mark D.; Mita, Seiji; Collazo, Ramón; Sitar, Zlatko; Irving, Douglas L.; Maria, Jon-Paul; Biegalski, Michael D.; Christen, Hans M.

    2014-02-14

    Smooth, commensurate alloys of 〈111〉-oriented Mg{sub 0.52}Ca{sub 0.48}O (MCO) thin films are demonstrated on Ga-polar, c+ [0001]-oriented GaN by surfactant-assisted molecular beam epitaxy and pulsed laser deposition. These are unique examples of coherent cubic oxide|nitride interfaces with structural and morphological perfection. Metal-insulator-semiconductor capacitor structures were fabricated on n-type GaN. A comparison of leakage current density for conventional and surfactant-assisted growth reveals a nearly 100× reduction in leakage current density for the surfactant-assisted samples. HAADF-STEM images of the MCO|GaN interface show commensurate alignment of atomic planes with minimal defects due to lattice mismatch. STEM and DFT calculations show that GaN c/2 steps create incoherent boundaries in MCO over layers which manifest as two in-plane rotations and determine consequently the density of structural defects in otherwise coherent MCO. This new understanding of interfacial steps between HCP and FCC crystals identifies the steps needed to create globally defect-free heterostructures.

  20. Radiation damage in cubic-stabilized zirconia

    SciTech Connect

    Costantini, Jean-Marc; Beuneu, Francois; Weber, William J

    2013-01-01

    Cubic yttria-stabilized zirconia (YSZ) can be used for nuclear applications as an inert matrix for actinide immobilization or transmutation. Indeed, the large amount of native oxygen vacancies leads to a high radiation tolerance of this material owing to defect recombination occurring in the atomic displacements cascades induced by fast neutron irradiation or ion implantations, as showed by Molecular dynamics (MD) simulations. Amorphization cannot be obtained in YSZ either by nuclear-collision or electronic-excitation damage, just like in urania. A kind of polygonization structure with slightly disoriented crystalline domains is obtained in both cases. In the first steps of damage, specific isolated point defects (like F+-type color centers) and point-defect clusters are produced by nuclear collisions with charged particles or neutrons. Further increase of damage leads to dislocation-loop formation, then to collapse of the dislocation network into a polygonization structure. For swift heavy ion irradiations, a similar polygonization structure is obtained above a threshold stopping power value of about 20-30 keV nm-1.

  1. Topological oxide insulator in cubic perovskite structure.

    PubMed

    Jin, Hosub; Rhim, Sonny H; Im, Jino; Freeman, Arthur J

    2013-01-01

    The emergence of topologically protected conducting states with the chiral spin texture is the most prominent feature at the surface of topological insulators. On the application side, large band gap and high resistivity to distinguish surface from bulk degrees of freedom should be guaranteed for the full usage of the surface states. Here, we suggest that the oxide cubic perovskite YBiO3, more than just an oxide, defines itself as a new three-dimensional topological insulator exhibiting both a large bulk band gap and a high resistivity. Based on first-principles calculations varying the spin-orbit coupling strength, the non-trivial band topology of YBiO3 is investigated, where the spin-orbit coupling of the Bi 6p orbital plays a crucial role. Taking the exquisite synthesis techniques in oxide electronics into account, YBiO3 can also be used to provide various interface configurations hosting exotic topological phenomena combined with other quantum phases.

  2. Superelastic carbon spheres under high pressure

    NASA Astrophysics Data System (ADS)

    Li, Meifen; Guo, Junjie; Xu, Bingshe

    2013-03-01

    We report a superelastic deformation behavior of carbon spheres by the in situ Raman spectroscopy in a high-pressure diamond anvil cell. The carbon spheres produced by arc discharging in toluene have a mean diameter of 200 nm and an onion-like multilayer graphitic structure. We find that the elastic coefficients, during both the compression and decompression processes, remain a constant up to 10 GPa, indicating a superior high-pressure structural stability. Such superelastic behavior is related to the isotropic and concentric configuration of carbon spheres and provides additional insight into improving the microscopic mechanical properties of small-scale particles.

  3. Manipulator for rotating and examining small spheres

    DOEpatents

    Weinstein, B.W.; Willenborg, D.L.

    1980-02-12

    A manipulator is disclosed which provides fast, accurate rotational positioning of a small sphere, such as an inertial confinement fusion target, which allows inspecting of the entire surface of the sphere. The sphere is held between two flat, flexible tips which move equal amounts in opposite directions. This provides rolling of the ball about two orthogonal axes without any overall translation. The manipulator may be controlled, for example, by an x- and y-axis driven controlled by a mini-computer which can be programmed to generate any desired scan pattern. 8 figs.

  4. Manipulator for rotating and examining small spheres

    DOEpatents

    Weinstein, Berthold W. [Livermore, CA; Willenborg, David L. [Livermore, CA

    1980-02-12

    A manipulator which provides fast, accurate rotational positioning of a small sphere, such as an inertial confinement fusion target, which allows inspecting of the entire surface of the sphere. The sphere is held between two flat, flexible tips which move equal amounts in opposite directions. This provides rolling of the ball about two orthogonal axes without any overall translation. The manipulator may be controlled, for example, by an x- and y-axis driven controlled by a mini-computer which can be programmed to generate any desired scan pattern.

  5. One-step hydrothermal synthesis, characterization and magnetic properties of orthorhombic PrCrO{sub 3} cubic particles

    SciTech Connect

    Zhang, Youjin Yao, Chengpeng; Fan, Yun; Zhou, Maozhong

    2014-11-15

    Highlights: • Orthorhombic PrCrO{sub 3} cubic particles were prepared by a simple and facile one-step hydrothermal method. • The possible formation mechanism of PrCrO{sub 3} cubic particles was proposed. • The as-synthesized PrCrO{sub 3} exhibited behaviors of magnetic transition and negative magnetization. - Abstract: Orthorhombic PrCrO{sub 3} cubic particles were synthesized by a simple and facile one-step hydrothermal method of processing temperature 280 °C for 7 days. The products prepared in this paper have been characterized by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), Fourier transform infrared spectroscopy (FTIR) and field-emission scanning electron microscopy (FESEM). The magnetic properties of the final sample are also studied. The XRD pattern shows the pure orthorhombic phase for PrCrO{sub 3} particles, the XPS and FTIR results further demonstrate the purity and composition of the product. FESEM images show cubic morphology for the PrCrO{sub 3} particles. The possible growth mechanism for PrCrO{sub 3} cubic particles is proposed. Through the investigation of magnetic properties, it can be seen that the orthorhombic PrCrO{sub 3} cubic particles exhibit behaviors of magnetic transition and negative magnetization. The Néel temperature is about 232 K and the magnetic hysteresis loop under 4 K shows that the coercivity (H{sub C}) and remanence (M{sub r}) is about 1728 Oe and 4.88 emu/g, respectively.

  6. Separate spheres and indirect benefits

    PubMed Central

    Brock, Dan W

    2003-01-01

    On any plausible account of the basis for health care resource prioritization, the benefits and costs of different alternative resource uses are relevant considerations in the prioritization process. Consequentialists hold that the maximization of benefits with available resources is the only relevant consideration. Non-consequentialists do not reject the relevance of consequences of benefits and costs, but insist that other considerations, and in particular the distribution of benefits and costs, are morally important as well. Whatever one's particular account of morally justified standards for the prioritization of different health interventions, we must be able to measure those interventions' benefits and costs. There are many theoretical and practical difficulties in that measurement, such as how to weigh extending life against improving health and quality of life as well as how different quality of life improvements should be valued, but they are not my concern here. This paper addresses two related issues in assessing benefits and costs for health resource prioritization. First, should benefits be restricted only to health benefits, or include as well other non health benefits such as economic benefits to employers from reducing the lost work time due to illness of their employees? I shall call this the Separate Spheres problem. Second, should only the direct benefits, such as extending life or reducing disability, and direct costs, such as costs of medical personnel and supplies, of health interventions be counted, or should other indirect benefits and costs be counted as well? I shall call this the Indirect Benefits problem. These two issues can have great importance for a ranking of different health interventions by either a cost/benefit or cost effectiveness analysis (CEA) standard. PMID:12773217

  7. Force distribution/transmission in amorphous and crystalline packings of spheres

    NASA Astrophysics Data System (ADS)

    An, Xizhong; Huang, Fei

    2013-06-01

    In this paper, the discrete element modeling (DEM) was used to study the force distributions/transmissions in the packings of amorphous and crystalline states generated by equal spheres subjected to an external load (of a large sphere) applied on the top of a packing. Crystalline packings such as {100}-and {111}-oriented face centered cubic (FCC), hexagonal close packed (HCP) and body centered cubic (BCC) were considered. The results show that the forces among the particles in these packings are quite different, with different force chains identified with different structures. For amorphous packings, the force chain supporting the external load gives a conical shape. The force chain in a crystalline packing is mainly of a pyramid shape and the forces therein are transmitted along the crystalline lattice. For {100}-FCC, {111}-FCC, and BCC other than HCP, the forces transmit along straight lines with different orientations. In crystalline packings, the forces in the chains are uniformly distributed in each layer and decrease linearly with the height. The force distributions in amorphous and crystalline granular packings are structure-dependent.

  8. Catalytic, hollow, refractory spheres, conversions with them

    NASA Technical Reports Server (NTRS)

    Wang, Taylor G. (Inventor); Elleman, Daniel D. (Inventor); Lee, Mark C. (Inventor); Kendall, Jr., James M. (Inventor)

    1989-01-01

    Improved, heterogeneous, refractory catalysts are in the form of gas-impervious, hollow, thin-walled spheres (10) suitable formed of a shell (12) of refractory such as alumina having a cavity (14) containing a gas at a pressure greater than atmospheric pressure. The wall material may be itself catalytic or a catalytically active material coated onto the sphere as a layer (16), suitably platinum or iron, which may be further coated with a layer (18) of activator or promoter. The density of the spheres (30) can be uniformly controlled to a preselected value within .+-.10 percent of the density of the fluid reactant such that the spheres either remain suspended or slowly fall or rise through the liquid reactant.

  9. Science off the Sphere: Knitting Needles

    NASA Video Gallery

    International Space Station Expedition 30 astronaut Don Pettit uses knitting needles and water droplets to demonstrate physics in space for 'Science off the Sphere.' Through a partnership between N...

  10. Science off the Sphere: Lenses and Vortices

    NASA Video Gallery

    International Space Station Expedition 30 astronaut Don Pettit demonstrates physics in space for 'Science off the Sphere.' Through a partnership between NASA and the American Physical Society you c...

  11. StenniSphere reopens after Hurricane Katrina

    NASA Technical Reports Server (NTRS)

    2006-01-01

    StenniSphere reopened Jan. 18, 2006, almost five months after Hurricane Katrina damaged the basement of the building that houses the visitor center. Thanks to the staff's careful preparations before the storm, no artifacts or exhibits were harmed.

  12. Acoustic levitation of a large solid sphere

    NASA Astrophysics Data System (ADS)

    Andrade, Marco A. B.; Bernassau, Anne L.; Adamowski, Julio C.

    2016-07-01

    We demonstrate that acoustic levitation can levitate spherical objects much larger than the acoustic wavelength in air. The acoustic levitation of an expanded polystyrene sphere of 50 mm in diameter, corresponding to 3.6 times the wavelength, is achieved by using three 25 kHz ultrasonic transducers arranged in a tripod fashion. In this configuration, a standing wave is created between the transducers and the sphere. The axial acoustic radiation force generated by each transducer on the sphere was modeled numerically as a function of the distance between the sphere and the transducer. The theoretical acoustic radiation force was verified experimentally in a setup consisting of an electronic scale and an ultrasonic transducer mounted on a motorized linear stage. The comparison between the numerical and experimental acoustic radiation forces presents a good agreement.

  13. Science off the Sphere: Thin Film Physics

    NASA Video Gallery

    International Space Station Expedition 30 astronaut Don Pettit demonstrates physics in space for 'Science off the Sphere.' Through a partnership between NASA and the American Physical Society you c...

  14. #4 Simulated Solar Sphere from Data - Interpolated

    NASA Video Gallery

    Rotating solar sphere made from a combination of imagery from the two STEREO spacecraft, together with simultaneous data from the Solar Dynamic Observatory.This movie is made from data taken on Jan...

  15. Elastic spheres can walk on water

    PubMed Central

    Belden, Jesse; Hurd, Randy C.; Jandron, Michael A.; Bower, Allan F.; Truscott, Tadd T.

    2016-01-01

    Incited by public fascination and engineering application, water-skipping of rigid stones and spheres has received considerable study. While these objects can be coaxed to ricochet, elastic spheres demonstrate superior water-skipping ability, but little is known about the effect of large material compliance on water impact physics. Here we show that upon water impact, very compliant spheres naturally assume a disk-like geometry and dynamic orientation that are favourable for water-skipping. Experiments and numerical modelling reveal that the initial spherical shape evolves as elastic waves propagate through the material. We find that the skipping dynamics are governed by the wave propagation speed and by the ratio of material shear modulus to hydrodynamic pressure. With these insights, we explain why softer spheres skip more easily than stiffer ones. Our results advance understanding of fluid-elastic body interaction during water impact, which could benefit inflatable craft modelling and, more playfully, design of elastic aquatic toys. PMID:26842860

  16. Laminar Flow past a Rotating Sphere

    NASA Astrophysics Data System (ADS)

    Kim, Dongjoo; Choi, Haecheon

    2000-11-01

    In this study, laminar flow past a rotating sphere is numerically investigated to understand the effect of the streamwise rotation on the flow characteristics behind a sphere. The present numerical method is based on a newly developed immersed boundary method in a cylindrical coordinate. Numerical simulations are performed at Re =100, 250 and 300 in the range of 0 <= ω^* <= 1.0, where ω^* is the maximum circumferential speed at the sphere surface normalized by the free-stream velocity. At ω^*=0 (without rotation), the flow past a sphere experiences steady axisymmetry, steady plane-symmetry, and unsteady plane-symmetry, respectively, at Re =100, 250 and 300. When the rotational speed increases, the drag increases for all the Reynolds numbers investigated, whereas the lift shows a non-monotonic behavior depending on the Reynolds number. At Re =100, the flow past a sphere shows steady axisymmetry for all the rotational speeds considered and thus the lift is zero. On the other hand, at Re =250 and 300, the flow becomes unsteady with rotation. With increasing rotational speed, the lift first decreases and then increases, showing a local minimum of lift at a specific rotational speed. The three-dimensional vortical structures behind a sphere are significantly modified by the streamwise rotation. For example, the vortical structures at Re =300 are completely changed and phase locked with rotation at ω^*=0.6.

  17. Inverse Magnus effect on a rotating sphere

    NASA Astrophysics Data System (ADS)

    Kim, Jooha; Park, Hyungmin; Choi, Haecheon; Yoo, Jung Yul

    2011-11-01

    In this study, we investigate the flow characteristics of rotating spheres in the subcritical Reynolds number (Re) regime by measuring the drag and lift forces on the sphere and the two-dimensional velocity in the wake. The experiment is conducted in a wind tunnel at Re = 0 . 6 ×105 - 2 . 6 ×105 and the spin ratio (ratio of surface velocity to the free-stream velocity) of 0 (no spin) - 0.5. The drag coefficient on a stationary sphere remains nearly constant at around 0.52. However, the magnitude of lift coefficient is nearly zero at Re < 2 . 0 ×105 , but rapidly increases to 0.3 and then remains constant with further increasing Reynolds number. On the other hand, with rotation, the lift coefficient shows negative values, called inverse Magnus effect, depending on the magnitudes of the Reynolds number and spin ratio. The velocity field measured from a particle image velocimetry (PIV) indicates that non-zero lift coefficient on a stationary sphere at Re > 2 . 0 ×105 results from the asymmetry of separation line, whereas the inverse Magnus effect for the rotating sphere results from the differences in the boundary-layer growth and separation along the upper and lower sphere surfaces. Supported by the WCU, Converging Research Center and Priority Research Centers Program, NRF, MEST, Korea.

  18. Atomistic aspects of ductile responses of cubic silicon carbide during nanometric cutting

    PubMed Central

    2011-01-01

    Cubic silicon carbide (SiC) is an extremely hard and brittle material having unique blend of material properties which makes it suitable candidate for microelectromechanical systems and nanoelectromechanical systems applications. Although, SiC can be machined in ductile regime at nanoscale through single-point diamond turning process, the root cause of the ductile response of SiC has not been understood yet which impedes significant exploitation of this ceramic material. In this paper, molecular dynamics simulation has been carried out to investigate the atomistic aspects of ductile response of SiC during nanometric cutting process. Simulation results show that cubic SiC undergoes sp3-sp2 order-disorder transition resulting in the formation of SiC-graphene-like substance with a growth rate dependent on the cutting conditions. The disorder transition of SiC causes the ductile response during its nanometric cutting operations. It was further found out that the continuous abrasive action between the diamond tool and SiC causes simultaneous sp3-sp2 order-disorder transition of diamond tool which results in graphitization of diamond and consequent tool wear. PMID:22078069

  19. Structural and optoelectronic properties of Eu2+-doped nanoscale barium titanates of pseudo-cubic form

    NASA Astrophysics Data System (ADS)

    Borah, Manjit; Mohanta, Dambarudhar

    2012-12-01

    The effect of europium (Eu)-doping on the optoelectronic carrier transition properties of pseudo-cubic barium titanate (BT) nanostructured system is being reported. Referring to x-ray diffractograms, apart from the diffraction peaks related to perovskite BT structure, non-existence of any additional peaks due to byproducts has revealed that Eu has undergone substitutional doping into BT host lattice. We speculate that adequate growth of a cubic overlayer over the tetragonal core has led to suppressed tetragonality (c/a ratio) features. We notice substantial decrease in the carrier transition exponent (n value), from its normal value, when doping level was varied within 0%-14%. While the overall photoluminescence response is improved with Eu-doping, the BT system was expected to experience concentration quenching. The emission peak at ˜455 nm was attributed to Eu2+ mediated 4f65d1→4f7 carrier transitions. Investigating optoelectronic properties of non-ferroelectric perovskite nanostructured system has a direct relevance in nanoscale optics and optoelectronic components.

  20. Formation and stability of cubic ice in water droplets.

    PubMed

    Murray, Benjamin J; Bertram, Allan K

    2006-01-07

    There is growing evidence that a metastable phase of ice, cubic ice, plays an important role in the Earth's troposphere and stratosphere. Cubic ice may also be important in diverse fields such as cryobiology and planetary sciences. Using X-ray diffraction, we studied the formation of cubic ice in pure water droplets suspended in an oil matrix as a function of droplet size. The results show that droplets of volume median diameter 5.6 microm froze dominantly to cubic ice with stacking faults. These results support previous suggestions that cubic ice is the crystalline phase that nucleates when pure water droplets freeze homogeneously at approximately 235 K. It is also shown that as the size of the water droplets increased from 5.6 to 17.0 microm, the formation of the stable phase of ice, hexagonal ice, was favoured. This size dependence can be rationalised with heat transfer calculations. We also investigated the stability of cubic ice that forms in water droplets suspended in an oil matrix. We observe cubic ice up to 243 K, much higher in temperature than observed in many previous studies. This result adds to the existing literature that shows bulk ice I(c) can persist up to approximately 240 K. The transformation of cubic ice to hexagonal ice also showed a complex time and temperature dependence, proceeding rapidly at first and then slowing down and coming to a halt. These combined results help explain why cubic ice forms in some experiments described in the literature and not others.

  1. The compressibility of cubic white and orthorhombic, rhombohedral, and simple cubic black phosphorus

    SciTech Connect

    Clark, Simon M; Zaug, Joseph

    2010-03-10

    The effect of pressure on the crystal structure of white phosphorus has been studied up to 22.4 GPa. The ?alpha phase was found to transform into the alpha' phase at 0.87 +- 0.04 GPa with a volume change of 0.1 +- 0.3 cc/mol. A fit of a second order Birch- Murnaghan equation to the data gave Vo = 16.94 ? 0.08 cc/mol and Ko = 6.7 +- 0.5 GPa for the alpha phase and Vo = 16.4 +- 0.1 cc/mol and Ko = 9.1 +- 0.3 GPa for the alpha' phase. The alpha' phase was found to transform to the A17 phase of black phosphorus at 2.68 +- 0.34 GPa and then with increasing pressure to the A7 and then simple cubic phase of black phosphorus. A fit of a second order Birch-Murnaghan equation to our data combined with previous measurements gave Vo = 11.43 +- 0.05 cc/mol and Ko = 34.7 +- 0.5 GPa for the A17 phase, Vo = 9.62 +- 0.01 cc/mol and Ko = 65.0 +- 0.6 GPa for the A7 phase and , Vo = 9.23 +- 0.01 cc/mol and Ko = 72.5 +- 0.3 GPa for the simple cubic phase.

  2. Pronounced negative thermal expansion from a simple structure : Cubic ScF{sub 3}.

    SciTech Connect

    Greve, B. K.; Martin, K. L.; Lee, P. L.; Chupas, P. J.; Chapman, K. W.; Wilkinson, A. P.; X-Ray Science Division; Georgia Inst. of Tech.

    2010-10-19

    Scandium trifluoride maintains a cubic ReO{sub 3} type structure down to at least 10 K, although the pressure at which its cubic to rhombohedral phase transition occurs drops from >0.5 GPa at {approx}300 K to 0.1-0.2 GPa at 50 K. At low temperatures it shows strong negative thermal expansion (NTE) (60-110 K, {alpha}{sub l} {approx} -14 ppm K{sup -1}). On heating, its coefficient of thermal expansion (CTE) smoothly increases, leading to a room temperature CTE that is similar to that of ZrW{sub 2}O{sub 8} and positive thermal expansion above {approx}1100 K. While the cubic ReO{sub 3} structure type is often used as a simple illustration of how negative thermal expansion can arise from the thermally induced rocking of rigid structural units, ScF{sub 3} is the first material with this structure to provide a clear experimental illustration of this mechanism for NTE.

  3. Structure and luminescence properties of eu3+-doped cubic mesoporous silica thin films.

    PubMed

    Lu, Qingshan; Wang, Zhongying; Wang, Peiyu; Li, Jiangong

    2010-02-11

    Eu3+ ions-doped cubic mesoporous silica thin films with a thickness of about 205 nm were prepared on silicon and glass substrates using triblock copolymer as a structure-directing agent using sol-gel spin-coating and calcination processes. X-ray diffraction and transmission electron microscopy analysis show that the mesoporous silica thin films have a highly ordered body-centered cubic mesoporous structure. High Eu3+ ion loading and high temperature calcination do not destroy the ordered cubic mesoporous structure of the mesoporous silica thin films. Photoluminescence spectra show two characteristic emission peaks corresponding to the transitions of5D0-7F1 and 5D0-7F2 of Eu3+ ions located in low symmetry sites in mesoporous silica thin films. With the Eu/Si molar ratio increasing to 3.41%, the luminescence intensity of the Eu3+ ions-doped mesoporous silica thin films increases linearly with increasing Eu3+ concentration.

  4. Structure and optical properties of cubic gallium oxynitride synthesized by solvothermal route

    SciTech Connect

    Oberländer, Andreas; Kinski, Isabel; Zhu, Wenliang; Pezzotti, Giuseppe; Michaelis, Alexander

    2013-04-15

    Cubic gallium oxynitride was synthesized using a solvothermal processing route. Crystal structure, chemical composition, optical properties and the influence of heat treatment in either reactive or inert atmospheres have been investigated. Despite a strongly distorted lattice revealed using X-ray diffraction, the Raman active modes of a cubic gallium oxynitride structure could be observed. With diffusive reflectance UV–Vis spectroscopy a band gap at around 4.8 eV has been observed. Additionally, cathodoluminescence spectroscopy exhibited observable luminescence caused by defect-related transitions within the optical gap. Cathodoluminescence and photoluminescence spectra collected after heat treatments showed significant changes in the defect structure. In particular, for annealing in ammonia the main spectral modifications were related to the substitution of oxygen by nitrogen on anion sites. - Graphical abstract: CL spectra of gallium oxynitride: As-prepared and heat-treated at temperatures of 500 °C in different atmospheres. Highlights: ► Raman spectrum of cubic gallium oxynitride. ► Experimental determination of optical band gap. ► Shift of band gap energy due to heat treatment. ► Nitrogen incorporation leads to deep level acceptor states. ► Red shifted luminescence spectrum.

  5. Cluster-assembled cubic zirconia films with tunable and stable nanoscale morphology against thermal annealing

    NASA Astrophysics Data System (ADS)

    Borghi, F.; Sogne, E.; Lenardi, C.; Podestà, A.; Merlini, M.; Ducati, C.; Milani, P.

    2016-08-01

    Nanostructured zirconium dioxide (zirconia) films are very promising for catalysis and biotechnological applications: a precise control of the interfacial properties of the material at different length scales and, in particular, at the nanoscale, is therefore necessary. Here, we present the characterization of cluster-assembled zirconia films produced by supersonic cluster beam deposition possessing cubic structure at room temperature and controlled nanoscale morphology. We characterized the effect of thermal annealing in reducing and oxidizing conditions on the crystalline structure, grain dimensions, and topography. We highlight the mechanisms of film growth and phase transitions, which determine the observed interfacial morphological properties and their resilience against thermal treatments.

  6. In Situ Synthesis of Uranium Carbide and its High Temperature Cubic Phase

    SciTech Connect

    Reiche, Helmut Matthias; Vogel, Sven C.

    2015-03-25

    New in situ data for the U-C system are presented, with the goal of improving knowledge of the phase diagram to enable production of new ceramic fuels. The none quenchable, cubic, δ-phase, which in turn is fundamental to computational methods, was identified. Rich datasets of the formation synthesis of uranium carbide yield kinetics data which allow the benchmarking of modeling, thermodynamic parameters etc. The order-disorder transition (carbon sublattice melting) was observed due to equal sensitivity of neutrons to both elements. This dynamic has not been accurately described in some recent simulation-based publications.

  7. Model energy landscapes of low-temperature fluids: Dipolar hard spheres.

    PubMed

    Matyushov, Dmitry V

    2007-07-01

    An analytical model of non-Gaussian energy landscape of low-temperature fluids is developed based on the thermodynamics of the fluid of dipolar hard spheres. The entire excitation profile of the liquid, from the high-temperature liquid to the point of ideal-glass transition, has been obtained from Monte Carlo simulations. The fluid of dipolar hard spheres loses stability close to the point of ideal-glass transition transforming via a first-order transition into a columnar liquid phase of dipolar chains locally arranged in a body-centered-tetragonal order. Significant non-Gaussianity of the energy landscape is responsible for narrowing of the distribution of potential energies and energies of inherent structures with decreasing temperature. We suggest that the proposed functionality of the enumeration function is widely applicable to both polar and nonpolar low-temperature liquids.

  8. Terminal energy distribution of blast waves from bursting spheres

    NASA Technical Reports Server (NTRS)

    Adamczyk, A. A.; Strehlow, R. A.

    1977-01-01

    The calculation results for the total energy delivered to the surroundings by the burst of an idealized massless sphere containing an ideal gas are presented. The logic development of various formulas for sphere energy is also presented. For all types of sphere bursts the fraction of the total initial energy available in the sphere that is delivered to the surroundings is shown to lie between that delivered for the constant pressure addition of energy to a source region and that delivered by isentropic expansion of the sphere. The relative value of E sub/Q increases at fixed sphere pressure/surrounding pressure as sphere temperature increases because the velocity of sound increases.

  9. The Separate Spheres Model of Gendered Inequality

    PubMed Central

    Miller, Andrea L.; Borgida, Eugene

    2016-01-01

    Research on role congruity theory and descriptive and prescriptive stereotypes has established that when men and women violate gender stereotypes by crossing spheres, with women pursuing career success and men contributing to domestic labor, they face backlash and economic penalties. Less is known, however, about the types of individuals who are most likely to engage in these forms of discrimination and the types of situations in which this is most likely to occur. We propose that psychological research will benefit from supplementing existing research approaches with an individual differences model of support for separate spheres for men and women. This model allows psychologists to examine individual differences in support for separate spheres as they interact with situational and contextual forces. The separate spheres ideology (SSI) has existed as a cultural idea for many years but has not been operationalized or modeled in social psychology. The Separate Spheres Model presents the SSI as a new psychological construct characterized by individual differences and a motivated system-justifying function, operationalizes the ideology with a new scale measure, and models the ideology as a predictor of some important gendered outcomes in society. As a first step toward developing the Separate Spheres Model, we develop a new measure of individuals’ endorsement of the SSI and demonstrate its reliability, convergent validity, and incremental predictive validity. We provide support for the novel hypotheses that the SSI predicts attitudes regarding workplace flexibility accommodations, income distribution within families between male and female partners, distribution of labor between work and family spheres, and discriminatory workplace behaviors. Finally, we provide experimental support for the hypothesis that the SSI is a motivated, system-justifying ideology. PMID:26800454

  10. The Separate Spheres Model of Gendered Inequality.

    PubMed

    Miller, Andrea L; Borgida, Eugene

    2016-01-01

    Research on role congruity theory and descriptive and prescriptive stereotypes has established that when men and women violate gender stereotypes by crossing spheres, with women pursuing career success and men contributing to domestic labor, they face backlash and economic penalties. Less is known, however, about the types of individuals who are most likely to engage in these forms of discrimination and the types of situations in which this is most likely to occur. We propose that psychological research will benefit from supplementing existing research approaches with an individual differences model of support for separate spheres for men and women. This model allows psychologists to examine individual differences in support for separate spheres as they interact with situational and contextual forces. The separate spheres ideology (SSI) has existed as a cultural idea for many years but has not been operationalized or modeled in social psychology. The Separate Spheres Model presents the SSI as a new psychological construct characterized by individual differences and a motivated system-justifying function, operationalizes the ideology with a new scale measure, and models the ideology as a predictor of some important gendered outcomes in society. As a first step toward developing the Separate Spheres Model, we develop a new measure of individuals' endorsement of the SSI and demonstrate its reliability, convergent validity, and incremental predictive validity. We provide support for the novel hypotheses that the SSI predicts attitudes regarding workplace flexibility accommodations, income distribution within families between male and female partners, distribution of labor between work and family spheres, and discriminatory workplace behaviors. Finally, we provide experimental support for the hypothesis that the SSI is a motivated, system-justifying ideology.

  11. March 20, 2012 Space Station Briefing: Cubic Satellite Deploy (Narrated)

    NASA Video Gallery

    This animation, presented by Expedition 32 Lead Flight Director Dina Contella during the March 20, 2012 ISS Program and Science Overview Briefing, shows the deploy of small cubic satellites (often ...

  12. The Coulombic Lattice Potential of Ionic Compounds: The Cubic Perovskites.

    ERIC Educational Resources Information Center

    Francisco, E.; And Others

    1988-01-01

    Presents coulombic models representing the particles of a system by point charges interacting through Coulomb's law to explain coulombic lattice potential. Uses rubidium manganese trifluoride as an example of cubic perovskite structure. Discusses the effects on cluster properties. (CW)

  13. March 20, 2012 Space Station Briefing: Cubic Satellite Deploy

    NASA Video Gallery

    This animation, presented by Expedition 32 Lead Flight Director Dina Contella during the March 20, 2012 ISS Program and Science Overview Briefing, shows the deploy of small cubic satellites (often ...

  14. Late-time attractor for the cubic nonlinear wave equation

    SciTech Connect

    Szpak, Nikodem

    2010-08-15

    We apply our recently developed scaling technique for obtaining late-time asymptotics to the cubic nonlinear wave equation and explain the appearance and approach to the two-parameter attractor found recently by Bizon and Zenginoglu.

  15. On the role of cubic structure in ice nucleation

    NASA Astrophysics Data System (ADS)

    Takahashi, Tōru

    1982-10-01

    To clarify the formation mechanism of snow polycrystals the possibility of formation of a cubic ice embryo is discussed on the basis of the homogeneous nucleation theory for supercooled water formed from ambient water molecules in the phase of supersaturated vapour. In this connection, attention is paid to a finding from a model of broken hydrogen bonds that the plane {111} of a cubic ice crystal has a smaller specific interfacial energy than each of the {0001} or {10ovbar|10} planes of a hexagonal ice crystal. Hence, it follows that a critical cubic embryo has a smaller activation energy than a critical hexagonal embryo below a critical temperature; namely, Ostwald's step rule (Stufenregel) holds for a change from cubic ice to hexagonal ice below a critical temperature. This discussion is reinforced by examining, from the viewpoint of this step rule, the observed misorientation of the c-axis of natural snow polycrystals and the results of experiments using frozen water droplets.

  16. 19. 1500 CUBIC FEET CAPACITY SCRAP STEEL CHARGING BOX ON ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    19. 1500 CUBIC FEET CAPACITY SCRAP STEEL CHARGING BOX ON THE CHARGING AISLE OF THE BOP SHOP LOOKING NORTHWEST. - U.S. Steel Duquesne Works, Basic Oxygen Steelmaking Plant, Along Monongahela River, Duquesne, Allegheny County, PA

  17. Effects of self-assembly process of latex spheres on the final topology of macroporous silica.

    PubMed

    Barros Filho, Djalma A; Hisano, Cíntia; Bertholdo, Roberto; Schiavetto, Matheus G; Santilli, Celso; Ribeiro, Sidney J L; Messaddeq, Younés

    2005-11-15

    This paper surveys the topology of macroporous silica prepared using latex templates covering the submicrometric range (0.1-0.7 mum). The behavior of latex spheres in aqueous dispersion has been analyzed by dynamic light scattering (DLS) measurement indicating the most appropriate conditions to form well-defined cubic arrays. The optical behavior of latex spheres has been analyzed by transmittance and reflectance measurements in order to determine their diameter and filling factor when they were assembled in bidimensional arrays. Macroscopic templates have been obtained by a centrifugation process and their crystalline ordering has been confirmed by porosimetry and scanning electron microscopy. These self-assembled structures have been used to produce macroporous silica, whose final topology depends on the pore size distribution of the original template. It has been seen that latex spheres are ordered in a predominant fcc arrangement with slipping of tetragonal pores due to the action of attractive electrostatic interactions. The main effect is to change the spherical shape of voids in macroporous silica into a hexagonal configuration with possible applications to fabricate photonic devices with novel optical properties.

  18. Recent researches on the air resistance of spheres

    NASA Technical Reports Server (NTRS)

    Flachsbart, O

    1928-01-01

    The following conclusions on air resistance of spheres are drawn: 1) disturbances in front of the sphere and even single fine wires affect the critical Reynolds Number; 2) disturbances around the sphere increased the drag of the sphere without martially affecting the value of the Reynolds Number(sub crith); 3) great disturbances of the boundary layer of the sphere likewise change R.N.(sub crith); 4) turbulence of the approaching air stream lowers critical R.N.

  19. The effect of size ratio on the sphere structure factor in colloidal sphere-plate mixtures

    NASA Astrophysics Data System (ADS)

    Cinacchi, G.; Doshi, N.; Prescott, S. W.; Cosgrove, T.; Grillo, I.; Lindner, P.; Phipps, J. S.; Gittins, D.; van Duijneveldt, J. S.

    2012-11-01

    Binary mixtures of colloidal particles of sufficiently different sizes or shapes tend to demix at high concentration. Already at low concentration, excluded volume interactions between the two species give rise to structuring effects. Here, a new theoretical description is proposed of the structure of colloidal sphere-plate mixtures, based on a density expansion of the work needed to insert a pair of spheres and a single sphere in a sea of them, in the presence or not of plates. The theory is first validated using computer simulations. The predictions are then compared to experimental observations using silica spheres and gibbsite platelets. Small-angle neutron scattering was used to determine the change of the structure factor of spheres on addition of platelets, under solvent contrast conditions where the platelets were invisible. Theory and experiment agreed very well for a platelet/sphere diameter ratio D/d = 2.2 and reasonably well for D/d = 5. The sphere structure factor increases at low scattering vector Q in the presence of platelets; a weak reduction of the sphere structure factor was predicted at larger Q, and for the system with D/d = 2.2 was indeed observed experimentally. At fixed particle volume fraction, an increase in diameter ratio leads to a large change in structure factor. Systems with a larger diameter ratio also phase separate at lower concentrations.

  20. Clustering and gelation of hard spheres induced by the Pickering effect

    NASA Astrophysics Data System (ADS)

    Fortini, Andrea

    2012-04-01

    A mixture of hard-sphere particles and model emulsion droplets is studied with a Brownian dynamics simulation. We find that the addition of nonwetting emulsion droplets to a suspension of pure hard spheres can lead to both gas-liquid and fluid-solid phase separations. Furthermore, we find a stable fluid of hard-sphere clusters. The stability is due to the saturation of the attraction that occurs when the surface of the droplets is completely covered with colloidal particles. At larger emulsion droplet densities a percolation transition is observed. The resulting networks of colloidal particles show dynamical and mechanical properties typical of a colloidal gel. The results of the model are in good qualitative agreement with recent experimental findings [E. Koos and N. Willenbacher, ScienceSCIEAS0036-807510.1126/science.1199243 331, 897 (2011)] in a mixture of colloidal particles and two immiscible fluids.

  1. Clustering and gelation of hard spheres induced by the Pickering effect.

    PubMed

    Fortini, Andrea

    2012-04-01

    A mixture of hard-sphere particles and model emulsion droplets is studied with a Brownian dynamics simulation. We find that the addition of nonwetting emulsion droplets to a suspension of pure hard spheres can lead to both gas-liquid and fluid-solid phase separations. Furthermore, we find a stable fluid of hard-sphere clusters. The stability is due to the saturation of the attraction that occurs when the surface of the droplets is completely covered with colloidal particles. At larger emulsion droplet densities a percolation transition is observed. The resulting networks of colloidal particles show dynamical and mechanical properties typical of a colloidal gel. The results of the model are in good qualitative agreement with recent experimental findings [E. Koos and N. Willenbacher, Science 331, 897 (2011)] in a mixture of colloidal particles and two immiscible fluids.

  2. Water exit dynamics of buoyant spheres

    NASA Astrophysics Data System (ADS)

    Truscott, Tadd T.; Epps, Brenden P.; Munns, Randy H.

    2016-11-01

    Buoyant spheres released below the free surface can rise well above the surface in a phenomenon known as pop-up. Contrary to intuition, increasing the release depth sometimes results in a lower pop-up height. We present the pop-up height of rising buoyant spheres over a range of release depths (1-12.5 diameters) and Reynolds numbers (4 ×104 to 6 ×105 ). While the dynamics of rising buoyant spheres and bubbles has been thoroughly investigated for Reynolds numbers below 104, pop-up in these larger-Reynolds-number regimes has not been studied. Yet the underwater motions of the sphere for the Reynolds numbers we study are the key to understanding the pop-up height. Two major regimes are apparent: vertical and oscillatory. The vertical regime exhibits a nearly vertical underwater trajectory and results in the largest pop-up heights. The oscillatory regime exhibits an underwater trajectory with periodic lateral motions and results in lower pop-up heights; this periodic lateral motion is modulated by unsteady vortex shedding in the wake of the sphere. Despite these complex fluid structure interactions, the experiments presented herein yield extremely repeatable results.

  3. Robotics Programming Competition Spheres, Russian Part

    NASA Astrophysics Data System (ADS)

    Sadovski, Andrei; Kukushkina, Natalia; Biryukova, Natalia

    2016-07-01

    Spheres" such name was done to Russian part of the Zero Robotics project which is a student competition devoted to programming of SPHERES (SPHERES - Synchronized Position Hold Engage and Reorient Experimental Satellites are the experimental robotics devices which are capable of rotation and translation in all directions, http://ssl.mit.edu/spheres/), which perform different operations on the board of International Space Station. Competition takes place online on http://zerorobotics.mit.edu. The main goal is to develop a program for SPHERES to solve an annual challenge. The end of the tournament is the real competition in microgravity on the board of ISS with a live broadcast. The Russian part of the tournament has only two years history but the problems, organization and specific are useful for the other educational projects especially for the international ones. We introduce the history of the competition, its scientific and educational goals in Russia and describe the participation of Russian teams in 2014 and 2015 tournaments. Also we discuss the organizational problems.

  4. The thermal conductivity of beds of spheres

    SciTech Connect

    McElroy, D.L.; Weaver, F.J.; Shapiro, M.; Longest, A.W.; Yarbrough, D.W.

    1987-01-01

    The thermal conductivities (k) of beds of solid and hollow microspheres were measured using two radial heat flow techniques. One technique provided k-data at 300 K for beds with the void spaces between particles filled with argon, nitrogen, or helium from 5 kPa to 30 MPa. The other technique provided k-data with air at atmospheric pressure from 300 to 1000 K. The 300 K technique was used to study bed systems with high k-values that can be varied by changing the gas type and gas pressure. Such systems can be used to control the operating temperature of an irradiation capsule. The systems studied included beds of 500 ..mu..m dia solid Al/sub 2/O/sub 3/, the same Al/sub 2/O/sub 3/ spheres mixed with spheres of silica--alumina or with SiC shards, carbon spheres, and nickel spheres. Both techniques were used to determine the k-value of beds of hollow spheres with solid shells of Al/sub 2/O/sub 3/, Al/sub 2/O/sub 3//center dot/7 w/o Cr/sub 2/O/sub 3/, and partially stabilized ZrO/sub 2/. The hollow microspheres had diameters from 2100 to 3500 ..mu..m and wall thicknesses from 80 to 160 ..mu..m. 12 refs., 7 figs., 4 tabs.

  5. Absorption and scattering by bispheres, quadspheres, and circular rings of spheres and their equivalent coated spheres.

    PubMed

    Heng, Ri-Liang; Sy, Ki Cheong; Pilon, Laurent

    2015-01-01

    This study demonstrates that the absorption and scattering cross sections and asymmetry factor of randomly oriented and optically soft bispheres, quadspheres, and circular rings of spheres, with either monodisperse or polydisperse monomers, can be approximated by an equivalent coated sphere with identical volume and average projected area. This approximation could also apply to the angle-dependent scattering matrix elements for monomer size parameter less than 0.1. However, it quickly deteriorated with increasing monomer number and/or size parameter. It was shown to be superior to previously proposed approximations considering a volume equivalent homogeneous sphere and a coated sphere with identical volume and surface area. These results provide a rapid and accurate way of predicting the radiation characteristics of bispheres, quadspheres, and rings of spheres representative of various unicellular and multicellular cyanobacteria considered for producing food supplements, biofuels, and fertilizers. They could also be used in inverse methods for retrieving the monomers' optical properties, morphology, and/or concentration.

  6. Thermodynamic properties of non-conformal soft-sphere fluids with effective hard-sphere diameters.

    PubMed

    Rodríguez-López, Tonalli; del Río, Fernando

    2012-01-28

    In this work we study a set of soft-sphere systems characterised by a well-defined variation of their softness. These systems represent an extension of the repulsive Lennard-Jones potential widely used in statistical mechanics of fluids. This type of soft spheres is of interest because they represent quite accurately the effective intermolecular repulsion in fluid substances and also because they exhibit interesting properties. The thermodynamics of the soft-sphere fluids is obtained via an effective hard-sphere diameter approach that leads to a compact and accurate equation of state. The virial coefficients of soft spheres are shown to follow quite simple relationships that are incorporated into the equation of state. The approach followed exhibits the rescaling of the density that produces a unique equation for all systems and temperatures. The scaling is carried through to the level of the structure of the fluids.

  7. Classical and quantum dynamics of the sphere

    NASA Astrophysics Data System (ADS)

    Lasukov, Vladimir; Moldovanova, Evgeniia; Abdrashitova, Maria; Malik, Hitendra; Gorbacheva, Ekaterina

    2016-07-01

    In Minkowski space, there has been developed the mathematic quantum model of the real particle located on the sphere evolving owing to the negative pressure inside the sphere. The developed model is analogous to the geometrodynamic model of the Lemaitre-Friedmann primordial atom in superspace-time, whose spatial coordinate is the scale factor functioning as a radial coordinate. There is a formulation of quantum geometrodynamics in which the spatial coordinate is an offset of the scale factor and wave function at the same time. With the help of the Dirac procedure for extracting the root from the Hamiltonian operator we have constructed a Dirac quantum dynamics of the sphere with fractional spin.

  8. Asymmetric capillary bridges between contacting spheres.

    PubMed

    Farmer, Timothy P; Bird, James C

    2015-09-15

    When a drop of liquid wets two identical solid spheres, the liquid forms a capillary bridge between the spheres to minimize surface energy. In the absence of external forces, these bridges are typically assumed to be axisymmetric, and the shape that minimizes surface energy can be calculated analytically. However under certain conditions, the bridge is axisymmetrically unstable, and migrates to a non-axisymmetric configuration. The goal of this paper is to characterize these non-axisymmetric capillary bridges. Specifically, we numerically calculate the shape of the capillary bridge between two contacting spheres that minimizes the total surface energy for a given volume and contact angle and compare to experiments. When the bridge is asymmetric, finite element calculations demonstrate that the shape of the bridge is spherical. In general, the bridge shape depends on both volume and contact angle, yet we find the degree of asymmetry is controlled by a single parameter.

  9. The flow past a freely rotating sphere

    NASA Astrophysics Data System (ADS)

    Fabre, David; Tchoufag, Joël; Citro, Vincenzo; Giannetti, Flavio; Luchini, Paolo

    2016-08-01

    We consider the flow past a sphere held at a fixed position in a uniform incoming flow but free to rotate around a transverse axis. A steady pitchfork bifurcation is reported to take place at a threshold Re^OS=206 leading to a state with zero torque but nonzero lift. Numerical simulations allow to characterize this state up to Re≈ 270 and confirm that it substantially differs from the steady-state solution which exists in the wake of a fixed, non-rotating sphere beyond the threshold Re^SS=212 . A weakly nonlinear analysis is carried out and is shown to successfully reproduce the results and to give substantial improvement over a previous analysis (Fabre et al. in J Fluid Mech 707:24-36, 2012). The connection between the present problem and that of a sphere in free fall following an oblique, steady (OS) path is also discussed.

  10. Phase diagrams of hard spheres with algebraic attractive interactions.

    PubMed

    Camp, Philip J

    2003-01-01

    The phase diagrams of systems made up of hard spheres interacting with attractive potentials of the form -1/r(3+sigma) are calculated using Monte Carlo simulations, second-order thermodynamic perturbation theory, and an augmented van der Waals theory. In simulations of the systems with sigma=0.1, 1, and 3, fluid-solid coexistence results are obtained using the Gibbs-Duhem integration technique; simulation data for the vapor-liquid coexistence envelopes and critical points are taken from previously published work [P. J. Camp and G. N. Patey, J. Chem. Phys. 114, 399 (2001)]. It is shown that the agreement between the theoretical and simulated phase diagrams improves as the range of the potential is increased, reflecting the decreasing role of short-range correlations in determining the bulk thermodynamics. In the extreme case of sigma=0.1 both theories are in excellent agreement with simulations. Phase diagrams for systems with sigma=4, 5, and 6 are computed using second-order thermodynamic perturbation theory. The results indicate that the vapor-liquid transition becomes metastable with respect to freezing when sigma > or approximately equal to 5, in broad agreement with results for the hard-sphere attractive Yukawa system which is commonly used to model colloidal particles, globular proteins, and nanoparticles.

  11. Effects of stacking disorder on thermal conductivity of cubic ice.

    PubMed

    Johari, G P; Andersson, Ove

    2015-08-07

    Cubic ice is said to have stacking disorder when the H2O sequences in its structure (space group Fd3̄m) are interlaced with hexagonal ice (space group P6(3)/mmc) sequences, known as stacking faults. Diffraction methods have shown that the extent of this disorder varies in samples made by different methods, thermal history, and the temperature T, but other physical properties of cubic and hexagonal ices barely differ. We had found that at 160 K, the thermal conductivity, κ, of cubic ice is ∼20% less than that of hexagonal ice, and this difference varies for cubic ice samples prepared by different methods and/or subjected to different thermal history. After reviewing the methods of forming cubic ice, we report an investigation of the effects of stacking disorder and other features by using new data, and by analyzing our previous data on the dependence of κ on T and on the pressure. We conclude that the lower κ of cubic ice and its weaker T-dependence is due mainly to stacking disorder and small crystal sizes. On in situ heating at 20-50 MPa pressure, κ increases and cubic ice irreversibly transforms more sharply to ice Ih, and at a higher T of ∼220 K, than it does in ex situ studies. Cooling and heating between 115 and 130 K at 0.1 K min(-1) rate yield the same κ value, indicating that the state of cubic ice in these conditions does not change with time and T. The increase in κ of cubic ice observed on heat-annealing before its conversion to hexagonal ice is attributed to the loss of stacking faults and other types of disorders, and to grain growth. After discussing the consequences of our findings on other properties, we suggest that detailed studies of variation of a given property of cubic ice with the fraction of stacking faults in its structure may reveal more about the effect of this disorder. A similar disorder may occur in the mono-layers of H2O adsorbed on a substrate, in bulk materials comprised of two dimensional layers, in diamond and in

  12. Effects of stacking disorder on thermal conductivity of cubic ice

    NASA Astrophysics Data System (ADS)

    Johari, G. P.; Andersson, Ove

    2015-08-01

    Cubic ice is said to have stacking disorder when the H2O sequences in its structure (space group F d 3 ¯ m ) are interlaced with hexagonal ice (space group P63/mmc) sequences, known as stacking faults. Diffraction methods have shown that the extent of this disorder varies in samples made by different methods, thermal history, and the temperature T, but other physical properties of cubic and hexagonal ices barely differ. We had found that at 160 K, the thermal conductivity, κ, of cubic ice is ˜20% less than that of hexagonal ice, and this difference varies for cubic ice samples prepared by different methods and/or subjected to different thermal history. After reviewing the methods of forming cubic ice, we report an investigation of the effects of stacking disorder and other features by using new data, and by analyzing our previous data on the dependence of κ on T and on the pressure. We conclude that the lower κ of cubic ice and its weaker T-dependence is due mainly to stacking disorder and small crystal sizes. On in situ heating at 20-50 MPa pressure, κ increases and cubic ice irreversibly transforms more sharply to ice Ih, and at a higher T of ˜220 K, than it does in ex situ studies. Cooling and heating between 115 and 130 K at 0.1 K min-1 rate yield the same κ value, indicating that the state of cubic ice in these conditions does not change with time and T. The increase in κ of cubic ice observed on heat-annealing before its conversion to hexagonal ice is attributed to the loss of stacking faults and other types of disorders, and to grain growth. After discussing the consequences of our findings on other properties, we suggest that detailed studies of variation of a given property of cubic ice with the fraction of stacking faults in its structure may reveal more about the effect of this disorder. A similar disorder may occur in the mono-layers of H2O adsorbed on a substrate, in bulk materials comprised of two dimensional layers, in diamond and in

  13. The dissolution or growth of a sphere

    NASA Technical Reports Server (NTRS)

    Shankar, N.; Wiltshire, Timothy J.; Subramanian, R. Shankar

    1984-01-01

    The problem of the dissolution or growth of an isolated stationary sphere in a large fluid body is analyzed. The motion of the boundary as well as the the resulting motion in the liquid are properly taken into account. The governing equations are solved using a recently developed technique (Subramanian and Weinberg, 1981) which employs an asymptotic expansion in time. Results for the radius of the sphere as a function of time are calculated. The range of utility of the present solution is established by comparison with a numerical solution of the governing equations obtained by the method of finite differences.

  14. Geometry of entanglement in the Bloch sphere

    NASA Astrophysics Data System (ADS)

    Boyer, Michel; Liss, Rotem; Mor, Tal

    2017-03-01

    Entanglement is an important concept in quantum information, quantum communication, and quantum computing. We provide a geometrical analysis of entanglement and separability for all the rank 2 quantum mixed states: complete analysis for the bipartite states and partial analysis for the multipartite states. For each rank 2 mixed state, we define its unique Bloch sphere, that is spanned by the eigenstates of its density matrix. We characterize those Bloch spheres into exactly five classes of entanglement and separability, give examples for each class, and prove that those are the only classes.

  15. On the cubic zero-order solution of electromagnetic waves. I. Periodic slabs with lossy plasmas

    SciTech Connect

    Lee, Hyoung-In; Mok, Jinsik

    2010-07-15

    Electromagnetic waves are considered for periodic structures consisting of lossy plasmonic components and dielectric host media. For the plasmonic components, not only low-loss metals but also high-loss gas plasmas are taken into consideration. For small filling fractions of the plasmonic components, the intercell interactions are kept to a minimum. In this way, the zero-order solution to the dispersion relation is solved by focusing on its cubic nonlinearity in frequency. Analysis shows that there are two types of solutions: propagating waves and stationary states, depending on the magnitudes of the temporal attenuation rates. Depending on the relative strengths of the material loss of the plasmonic component and its filling fraction, several key critical parameters for the transitions between these two solution types are thus identified. In the following companion paper of Paper II, the cubic nonlinearities in frequency of the dispersion relations stem from different origins. Notwithstanding, they lead to strikingly similar features such as the transitions in wave types and Hopf bifurcations.

  16. Study of deposition of YBa2Cu3O7-x on cubic zirconia

    NASA Technical Reports Server (NTRS)

    Warner, Joseph D.; Meola, Joseph E.; Jenkins, Kimberly A.

    1989-01-01

    Films of YBa2Cu3O7-x were grown on (100) cubic zirconia with 8 percent yttria by laser ablation from sintered targets of YBa2Cu3O7-x. The temperature of the zirconia substrate during growth was varied between 700 and 780 C. The atmosphere during growth was 170 mtorr of O2. The films were subsequently slowly cooled in-situ in 1 atm of O2. The best films were c-axis aligned and had a transition temperature of 87.7 K. The superconducting transition temperature and the X-ray diffraction analysis is reported as a function of the substrate temperature and of the angle between the laser beam and the target's normal.

  17. Synergetic effect in modifying with master alloys having an aluminide cubic structure

    NASA Astrophysics Data System (ADS)

    Popova, E. A.; Kotenkov, P. V.; Pastukhov, E. A.

    2016-02-01

    Experimental data on the preparation of test master alloys Al-Sc-(Zr, Ti, Y), Al-Zr-(Ti, Y), and Al-Ti-Y, which contain two transition metals and are characterized by the formation of aluminides with the L12 cubic lattice (which is identical to the crystal lattice of an aluminum-alloy matrix), are presented. The growth forms of aluminides in alloys of various compositions are demonstrated. Using Al-4% Cu model alloys (experiments were carried out with 15 and 200 g samples cooled at different cooling rates), the modifying ability of the test ternary master alloys and industrial binary master alloys (used for comparison) has been estimated. Synergetic effects of two transition metals, which consist in grain refining in Al-4% Cu alloys, and a substantial difference in the modifying effects of the binary and ternary master alloys have been shown.

  18. Stabilization of cubic structure in TlI with Ag +, Br -, NO 3-

    NASA Astrophysics Data System (ADS)

    Secco, E. A.

    1997-11-01

    The solid state phase transitions of Tl (1- x) Ag xI, TlI (1- x) Br x and TlI (1- x) (NO 3) x where x = 0.10 are reported. The differential scanning calorimetry (DSC) traces for all three systems show two common endotherms at 172°C and 222°C on first heating but only the 222°C endotherm survived on second heating. The reversible 222°C endotherm suggests a common solid-solid phase transition of the order-disorder type involving a common structure in the host TlI, viz, the Pm3m CsCl-type cubic structure, confirmed by its X-ray diffraction pattern.

  19. Leidenfrost vapour layer moderation of the drag crisis and trajectories of superhydrophobic and hydrophilic spheres falling in water.

    PubMed

    Vakarelski, Ivan U; Chan, Derek Y C; Thoroddsen, Sigurdur T

    2014-08-21

    We investigate the dynamic effects of a Leidenfrost vapour layer sustained on the surface of heated steel spheres during free fall in water. We find that a stable vapour layer sustained on the textured superhydrophobic surface of spheres falling through 95 °C water can reduce the hydrodynamic drag by up to 75% and stabilize the sphere trajectory for the Reynolds number between 10(4) and 10(6), spanning the drag crisis in the absence of the vapour layer. For hydrophilic spheres under the same conditions, the transition to drag reduction and trajectory stability occurs abruptly at a temperature different from the static Leidenfrost point. The observed drag reduction effects are attributed to the disruption of the viscous boundary layer by the vapour layer whose thickness depends on the water temperature. Both the drag reduction and the trajectory stabilization effects are expected to have significant implications for development of sustainable vapour layer based technologies.

  20. Negative Magnus lift on a rotating sphere at around the critical Reynolds number

    NASA Astrophysics Data System (ADS)

    Muto, Masaya; Tsubokura, Makoto; Oshima, Nobuyuki

    2012-01-01

    Negative Magnus lift acting on a sphere rotating about the axis perpendicular to an incoming flow was investigated using large-eddy simulation at three Reynolds numbers of 1.0 × 104, 2.0 × 105, and 1.14 × 106. The numerical methods used were first validated on a non-rotating sphere, and the spatial resolution around the sphere was determined so as to reproduce the laminar separation, reattachment, and turbulent transition of the boundary layer observed in the vicinity of the critical Reynolds number. The rotating sphere exhibited a positive or negative Magnus effect depending on the Reynolds number and the imposed rotating speed. At Reynolds numbers in the subcritical or supercritical regimes, the direction of the Magnus lift force was independent of the rotational speed. In contrast, the lift force was negative in the critical regime when particular rotating speeds were imposed. This negative Magnus effect was investigated in the context of suppression or promotion of boundary layer transition around the separation point.

  1. Negative Magnus Effect on a Rotating Sphere at around the Critical Reynolds Number

    NASA Astrophysics Data System (ADS)

    Muto, Masaya; Watanabe, Hiroaki; Tsubokura, Makoto; Oshima, Nobuyuki

    2011-12-01

    Negative Magnus lift acting on a sphere rotating about the axis perpendicular to an incoming flow is investigated using large-eddy simulation at three Reynolds numbers of 1.0× 104, 2.0 × 105, and 1.14 × 106. The numerical methods adopted are first validated on a non-rotating sphere and the spatial resolution around the sphere is determined so as to reproduce the laminar separation, reattachment, and turbulent transition of the boundary layer observed at around the critical Reynolds number. In the rotating sphere, positive or negative Magnus effect is observed depending on the Reynolds number and the rotating speed imposed. At the Reynolds number in the subcritical or supercritical region, the direction of the lift force follows the Magnus effect to be independent of the rotational speed tested here. In contrast, negative lift is observed at the Reynolds number at the critical region when particular rotating speeds are imposed. The negative Magnus effect is discussed in the context of the suppression or promotion of boundary layer transition around the separation point.

  2. Ground-state ordering of the J1-J2 model on the simple cubic and body-centered cubic lattices

    NASA Astrophysics Data System (ADS)

    Farnell, D. J. J.; Götze, O.; Richter, J.

    2016-06-01

    The J1-J2 Heisenberg model is a "canonical" model in the field of quantum magnetism in order to study the interplay between frustration and quantum fluctuations as well as quantum phase transitions driven by frustration. Here we apply the coupled cluster method (CCM) to study the spin-half J1-J2 model with antiferromagnetic nearest-neighbor bonds J1>0 and next-nearest-neighbor bonds J2>0 for the simple cubic (sc) and body-centered cubic (bcc) lattices. In particular, we wish to study the ground-state ordering of these systems as a function of the frustration parameter p =z2J2/z1J1 , where z1 (z2) is the number of nearest (next-nearest) neighbors. We wish to determine the positions of the phase transitions using the CCM and we aim to resolve the nature of the phase transition points. We consider the ground-state energy, order parameters, spin-spin correlation functions, as well as the spin stiffness in order to determine the ground-state phase diagrams of these models. We find a direct first-order phase transition at a value of p =0.528 from a state of nearest-neighbor Néel order to next-nearest-neighbor Néel order for the bcc lattice. For the sc lattice the situation is more subtle. CCM results for the energy, the order parameter, the spin-spin correlation functions, and the spin stiffness indicate that there is no direct first-order transition between ground-state phases with magnetic long-range order, rather it is more likely that two phases with antiferromagnetic long range are separated by a narrow region of a spin-liquid-like quantum phase around p =0.55 . Thus the strong frustration present in the J1-J2 Heisenberg model on the sc lattice may open a window for an unconventional quantum ground state in this three-dimensional spin model.

  3. Dependence on sphere size of the phase behavior of mixtures of rods and spheres

    NASA Astrophysics Data System (ADS)

    Urakami, Naohito; Imai, Masayuki

    2003-07-01

    By the addition of chondroitin sulfate (Chs) to the aqueous suspension of tobacco mosaic virus (TMV), the aggregation of TMV occurs at very dilute TMV concentration compared with the addition of polyethylene oxide (PEO). The difference of physical behavior between Chs and PEO is the chain conformation in solution. The Chs chain has a semirigid nature, whereas the PEO chain has a flexible nature. In this study, the Chs and PEO chains are simplified to spherical particles having different size, and we use the spherocylinder model for TMV particle. The effect of the sphere size on the phase behaviors in the mixtures of rods and spheres is investigated by Monte Carlo simulations. By the addition of small spheres, the system transforms from the miscible isotropic phase to the miscible nematic phase. On the other hand, by the addition of large spheres, the system changes from the miscible isotropic phase to the immiscible nematic phase through the immiscible isotropic phase. The different phase behaviors between the small and the large spheres originate from the difference of overlapping volume of the depletion zone. In addition, we perform the Monte Carlo simulations in the case that semirigid chains are used as the Chs chain models. The same phase behaviors are observed as the mixtures of rods and large spheres. Thus the sphere model captures the phase behaviors of rod and polymer mixture systems.

  4. Mechanism for direct graphite-to-diamond phase transition

    PubMed Central

    Xie, Hongxian; Yin, Fuxing; Yu, Tao; Wang, Jian-Tao; Liang, Chunyong

    2014-01-01

    Using classical molecular dynamics with a more reliable reactive LCBOPII potential, we have performed a detailed study on the direct graphite-to-diamond phase transition. Our results reveal a new so-called “wave-like buckling and slipping” mechanism, which controls the transformation from hexagonal graphite to cubic diamond. Based on this mechanism, we have explained how polycrystalline cubic diamond is converted from hexagonal graphite, and demonstrated that the initial interlayer distance of compressed hexagonal graphite play a key role to determine the grain size of cubic diamond. These results can broaden our understanding of the high pressure graphite-to-diamond phase transition. PMID:25088720

  5. Replica exchange Monte Carlo applied to hard spheres.

    PubMed

    Odriozola, Gerardo

    2009-10-14

    In this work a replica exchange Monte Carlo scheme which considers an extended isobaric-isothermal ensemble with respect to pressure is applied to study hard spheres (HSs). The idea behind the proposal is expanding volume instead of increasing temperature to let crowded systems characterized by dominant repulsive interactions to unblock, and so, to produce sampling from disjoint configurations. The method produces, in a single parallel run, the complete HS equation of state. Thus, the first order fluid-solid transition is captured. The obtained results well agree with previous calculations. This approach seems particularly useful to treat purely entropy-driven systems such as hard body and nonadditive hard mixtures, where temperature plays a trivial role.

  6. The "Reverse Commute": Adult Students and the Transition from Professional to Academic Literacy

    ERIC Educational Resources Information Center

    Michaud, Michael J.

    2011-01-01

    The notion of "transporting literacy" across spheres or cultures is a useful way to imagine the transition many of today's adult students make as writers from the literate sphere of the workplace to that of the school--a transition the author refers to in this article as the "reverse commute." By the time such students reach (or rereach) the…

  7. Anelastic attenuation in cubic and hexagonal iron alloys: implications for the core

    NASA Astrophysics Data System (ADS)

    Redfern, S. A.; Peng, Z.

    2013-12-01

    Grain boundary processes, phase transitions, line defects and point defects may all play a part in controlling the anelastic properties of iron in Earth's core. We have explored the high temperature behaviour of Fe-Ni alloys to investigate the possible role of phase interfaces at phase transitions between cubic phases of iron. The role of point defects has been considered by analogy with previous measurements on hexagonal metals. The mechanical properties of Fe-Ni alloys were studied by torsion pendulum at seismic frequencies from 0.01 to 1 Hz over temperatures from 30 C to 1000 C and atmospheric pressure. The cubic Fe-Ni system undergoes an equilibrium fcc-bcc phase transition for Ni concentration < 5 at.%, but shows a metastable martensitic phase transition from austenite to a distorted bcc martensite when there is more than 5 at.% Ni in the alloy. Mechanical properties show significant variation at the phase transition temperature: significant softening in shear modulus, abrupt change in elastic strain, and massive energy dissipation. Variation in elastic constant as a function of temperature defines the shear modulus, while the volumetric difference between the fcc and bcc structure contributes to a sudden variation in strain at the transition. The movement of interfaces (phase interfaces and martensite variant interfaces) is the key mechanism for anelastic damping at the transition. An intermediate mixture of phases (bcc + fcc or martenste + fcc) was identified over a wide range of temperatures, indicating the importance of phase nucleation process at the transition. For a pure hexagonal iron core there remains the possibility of energy dissipation by an intrinsic atomistic process. While no measurements of anelastic relaxation have been made in hexagonal iron, earlier studies of zirconium and titanium (hexagonal metals).Reorientation of pairs of interstitial atoms or even interstitial-substitutional pairs of atoms provides a mechanism for anelastic relaxation

  8. Orientation-dependent x-ray Raman scattering from cubic crystals: Natural linear dichroism in MnO and CeO2

    NASA Astrophysics Data System (ADS)

    Gordon, R. A.; Haverkort, M. W.; Gupta, Subhra Sen; Sawatzky, G. A.

    2009-11-01

    Information on valence orbitals and electronic interactions in single crystal systems can be obtained through orientation-dependent x-ray measurements, but this can be problematic for a cubic system. Polarisation-dependent x-ray absorption measurements are common, but are dominated by dipole transitions which, for a cubic system, are isotropic even though a cubic system is not. Many edges, particularly for transition metals, do have electric quadrupole features that could lead to dichroism but proximity to the dipole transition can make interpretation challenging. X-ray Raman Spectroscopy (XRS) can also be used to perform orientation-dependent near-edge measurements - not only dependent on the direction of the momentum transfer but also its magnitude, q. Previous XRS measurements on polycrystalline materials revealed that multipole (higher order than dipole) transitions are readily observable in the pre-threshold region of rare earth N4,5 edges, actually replacing the dipole at high-q. We have extended these studies to examine orientation-dependent XRS for CeO2 and MnO single crystals, as prototype systems for theoretical treatment. Dichroism is observed at both the Ce N4,5 and Mn M2,3 edges in these cubic materials.

  9. Life in the E-Sphere.

    ERIC Educational Resources Information Center

    Pelton, Joseph N.

    2002-01-01

    Discusses the survival of the human race in the Third Millennium. Considers environmental issues; shifting from a focus on economic growth to human development; the rate of technological change; the e-sphere, which goes beyond a global village to a global brain; technology in education and in health care; and educational reform. (LRW)

  10. Experimentation on recurrent sphere collision with Audacity

    NASA Astrophysics Data System (ADS)

    Muradoglu, Murat; Ng, Enoch Ming Wei; Ng, Tuck Wah

    2014-11-01

    Under the theme of collisions that occur repeatedly, we conducted easy and inexpensive experiments of rebounding spheres and Newton’s cradle with two spheres to determine the coefficients of restitution using the sound record feature in modern laptops and a free and open source software called Audacity. In the rebounding sphere experiment, the coefficients of restitution of the golf and ping pong balls used were found to be 0.727 ± 0.025 and 0.816 ± 0.041 respectively. With the Netwon’s cradle experiment, the coefficient of restitution of two steel sphere balls was found to be 0.987 ± 0.003. The contrasts in the results obtained from both experiments permit the operational principles of a pendulum to be emphasized, and engagements to be made to consider the transfer of kinetic energy in the form of vibrational energy of the bodies’ constituents. Using a one-dimensional two-mass model with spring and damper linkages to account for harmonic motions that occur during impact, we found it possible to perform a simple analysis to account for this, and how it can be linked to high energy transfer modes such as the phenomenon of resonance and impedance matching.

  11. Hollow silica spheres: synthesis and mechanical properties.

    PubMed

    Zhang, Lijuan; D'Acunzi, Maria; Kappl, Michael; Auernhammer, Günter K; Vollmer, Doris; van Kats, Carlos M; van Blaaderen, Alfons

    2009-03-03

    Core-shell polystyrene-silica spheres with diameters of 800 nm and 1.9 microm were synthesized by soap-free emulsion and dispersion polymerization of the polystyrene core, respectively. The polystyrene spheres were used as templates for the synthesis of silica shells of tunable thickness employing the Stöber method [Graf et al. Langmuir 2003, 19, 6693]. The polystyrene template was removed by thermal decomposition at 500 degrees C, resulting in smooth silica shells of well-defined thickness (15-70 nm). The elastic response of these hollow spheres was probed by atomic force microscopy (AFM). A point load was applied to the particle surface through a sharp AFM tip, and successively increased until the shell broke. In agreement with the predictions of shell theory, for small deformations the deformation increased linearly with applied force. The Young's modulus (18 +/- 6 GPa) was about 4 times smaller than that of fused silica [Adachi and Sakka J. Mater. Sci. 1990, 25, 4732] but identical to that of bulk silica spheres (800 nm) synthesized by the Stöber method, indicating that it yields silica of lower density. The minimum force needed to irreversibly deform (buckle) the shell increased quadratically with shell thickness.

  12. Metal-Matrix/Hollow-Ceramic-Sphere Composites

    NASA Technical Reports Server (NTRS)

    Baker, Dean M.

    2011-01-01

    A family of metal/ceramic composite materials has been developed that are relatively inexpensive, lightweight alternatives to structural materials that are typified by beryllium, aluminum, and graphite/epoxy composites. These metal/ceramic composites were originally intended to replace beryllium (which is toxic and expensive) as a structural material for lightweight mirrors for aerospace applications. These materials also have potential utility in automotive and many other terrestrial applications in which there are requirements for lightweight materials that have high strengths and other tailorable properties as described below. The ceramic component of a material in this family consists of hollow ceramic spheres that have been formulated to be lightweight (0.5 g/cm3) and have high crush strength [40.80 ksi (.276.552 MPa)]. The hollow spheres are coated with a metal to enhance a specific performance . such as shielding against radiation (cosmic rays or x rays) or against electromagnetic interference at radio and lower frequencies, or a material to reduce the coefficient of thermal expansion (CTE) of the final composite material, and/or materials to mitigate any mismatch between the spheres and the matrix metal. Because of the high crush strength of the spheres, the initial composite workpiece can be forged or extruded into a high-strength part. The total time taken in processing from the raw ingredients to a finished part is typically 10 to 14 days depending on machining required.

  13. Propulsion of a two-sphere swimmer

    NASA Astrophysics Data System (ADS)

    Klotsa, Daphne; Baldwin, Kyle; Hill, Richard; Bowley, Roger; Swift, Michael

    We describe experiments and simulations demonstrating the propulsion of a neutrally-buoyant macroscopic swimming robot that consists of a pair of spheres attached by a spring, immersed in a vibrating fluid. The vibration of the fluid induces relative motion of the spheres which, for sufficiently large amplitudes, can lead to motion of the center of mass of the two spheres. We find that the swimming speed obtained from both experiment and simulation agree and collapse onto a single curve if plotted as a function of the streaming Reynolds number, suggesting that the propulsion is related to streaming flows. There appears to be a critical onset value of the streaming Reynolds number for swimming to occur. We observe a change in the streaming flows as the Reynolds number increases, from that generated by two independent oscillating spheres to a collective flow pattern around the swimmer as a whole. The mechanism for swimming is traced to a strengthening of a jet of fluid in the wake of the swimmer.

  14. Steel Spheres and Skydiver--Terminal Velocity

    ERIC Educational Resources Information Center

    Costa Leme, J.; Moura, C.; Costa, Cintia

    2009-01-01

    This paper describes the use of open source video analysis software in the study of the relationship between the velocity of falling objects and time. We discuss an experiment in which a steel sphere falls in a container filled with two immiscible liquids. The motion is similar to that of a skydiver falling through air.

  15. The Public Sphere and Online, Independent Journalism

    ERIC Educational Resources Information Center

    Beers, David

    2006-01-01

    The rapid evolution of online, independent journalism affords educators an opportunity to increase students' understanding of the nature and power of the news media. Drawing from Habermas's theories of the role of the public sphere in democratic discourse, the author, as founder of an online news publication, traces trends in concentrated…

  16. The Sphere of Women in Colonial America.

    ERIC Educational Resources Information Center

    Cook, Robert

    This project is a unit of six lessons designed to study and understand the roles and expectations of women in the colonial period. The unit provides an historical perspective on those expectations, examines how both men and women viewed the sphere of women, and how enlightened thought on this topic began to emerge during this revolutionary time.…

  17. Spheres: from Ground Development to ISS Operations

    NASA Technical Reports Server (NTRS)

    Katterhagen, A.

    2016-01-01

    SPHERES (Synchronized Position Hold Engage and Reorient Experimental Satellites) is an internal International Space Station (ISS) Facility that supports multiple investigations for the development of multi-spacecraft and robotic control algorithms. The SPHERES National Lab Facility aboard ISS is managed and operated by NASA Ames Research Center (ARC) at Moffett Field California. The SPHERES Facility on ISS consists of three self-contained eight-inch diameter free-floating satellites which perform the various flight algorithms and serve as a platform to support the integration of experimental hardware. SPHERES has served to mature the adaptability of control algorithms of future formation flight missions in microgravity (6 DOF (Degrees of Freedom) / long duration microgravity), demonstrate key close-proximity formation flight and rendezvous and docking maneuvers, understand fault diagnosis and recovery, improve the field of human telerobotic operation and control, and lessons learned on ISS have significant impact on ground robotics, mapping, localization, and sensing in three-dimensions - among several other areas of study.

  18. Some analytical models of radiating collapsing spheres

    SciTech Connect

    Herrera, L.; Di Prisco, A; Ospino, J.

    2006-08-15

    We present some analytical solutions to the Einstein equations, describing radiating collapsing spheres in the diffusion approximation. Solutions allow for modeling physical reasonable situations. The temperature is calculated for each solution, using a hyperbolic transport equation, which permits to exhibit the influence of relaxational effects on the dynamics of the system.

  19. Uniform hollow Lu2O3:Ln (Ln = Eu3+, Tb3+) spheres: facile synthesis and luminescent properties.

    PubMed

    Yang, Piaoping; Gai, Shili; Liu, Yanchao; Wang, Wenxin; Li, Chunxia; Lin, Jun

    2011-03-21

    Uniform hollow Lu(2)O(3):Ln (Ln = Eu(3+), Tb(3+)) phosphors have been successfully prepared via a urea-assisted homogeneous precipitation method using carbon spheres as templates, followed by a subsequent calcination process. X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), Fourier transformed infrared (FT-IR), thermogravimetric and differential thermal analysis (TG-DTA), photoluminescence (PL) spectra, cathodoluminescence (CL) spectra, kinetic decays, quantum yields (QY), and UV-visible diffuse reflectance spectra were employed to characterize the samples. The results show that hollow Lu(2)O(3):Ln spheres can be indexed to cubic Gd(2)O(3) phase with high purity. The as-prepared hollow Lu(2)O(3):Ln phosphors are confirmed to be uniform in shape and size with diameter of about 300 nm and shell thickness of approximate 20 nm. The possible formation mechanism of evolution from the carbon spheres to the amorphous precursor and to the final hollow Lu(2)O(3):Ln microspheres has been proposed. Upon ultraviolet (UV) and low-voltage electron beams excitation, the hollow Lu(2)O(3):Ln (Ln = Eu(3+), Tb(3+)) spheres exhibit bright red (Eu(3+), (5)D(0)-(7)F(2)) and green (Tb(3+), (5)D(4)-(7)F(5)) luminescence, which may find potential applications in the fields of color display and biomedicine.

  20. Triblock polyphiles through click chemistry: self-assembled thermotropic cubic phases formed by micellar and monolayer vesicular aggregates.

    PubMed

    Tan, Xiaoping; Kong, Leiyang; Dai, Heng; Cheng, Xiaohong; Liu, Feng; Tschierske, Carsten

    2013-11-25

    Three series of triblock polyphiles consisting of a rigid 4-phenyl-1,2,3-triazole or 1,4-diphenyl-1,2,3-triazole core with three lipophilic and flexible alkoxyl chains at one end and a polar glycerol group at the opposite end were synthesized by copper-catalyzed azide-alkyne click reactions. Their mesophase behavior was studied by polarizing optical microscopy, differential scanning calorimetry, and XRD. Depending on alkyl chain length and core length, a transition from hexagonal columnar to Pm3n-type cubic phases was observed. In the cubic phases, the molecules are organized as spherical objects. Remarkably, compounds with a longer core unit have a higher tendency to form these cubic phases, and their stability is strongly enhanced over those of the compounds with a shorter core, despite longer cores having a smaller cone angle and therefore being expected to disfavor the formation of spherical objects. There is a large difference in the number of molecules involved in the spherical aggregates formed by compounds with long and short cores. Whereas the aggregates in the cubic phases of the compounds with short rod units are small and could be regarded as micellar, the long-core compounds form much larger aggregates which are regarded as a kind of monolayer vesicular aggregate.

  1. Elastic, superconducting, and thermodynamic properties of the cubic metallic phase of AlH3 via first-principles calculations

    NASA Astrophysics Data System (ADS)

    Wei, Yong-Kai; Ge, Ni-Na; Ji, Guang-Fu; Chen, Xiang-Rong; Cai, Ling-Cang; Zhou, Su-Qin; Wei, Dong-Qing

    2013-09-01

    The lattice dynamic, elastic, superconducting, and thermodynamic properties of the high-pressure cubic metallic phase AlH3 are studied within density function theory. The calculated elastic modulus and phonon dispersion curves at various pressures indicate that the cubic phase is both mechanically and dynamically stable above 73 GPa. The superconducting transition temperature was calculated using Allen-Dynes modification of the McMillan formula based on the Bardeen-Cooper-Schrieffer theory. It is found that Tc approaches a linear decrease in the low pressure range at the rate dTC/dP ≈-0.22 K/GPa but gradually decreases exponentially at higher pressure, and then it becomes 0 K upon further compression. The calculations indicate that Tc is about 2.042 K at 110 GPa, in agreement with experimental results. The soft phonon modes, especially the lowest acoustic mode, contribute almost 79% to the total electron-phonon coupling parameter sλ for cubic AlH3 at 73 GPa. However, they disappear gradually with increasing pressure, showing a responsibility for the variation of Tc. The thermodynamic properties of cubic AlH3, such as the dependence of thermal expansion coefficient αV on pressure and temperature, the specific heat capacity CP, as well as the electronic specific heat coefficient Cel, were also investigated by the quasi-harmonic approximation theory.

  2. An Automatic Phase-Change Detection Technique for Colloidal Hard Sphere Suspensions

    NASA Technical Reports Server (NTRS)

    McDowell, Mark; Gray, Elizabeth; Rogers, Richard B.

    2005-01-01

    Colloidal suspensions of monodisperse spheres are used as physical models of thermodynamic phase transitions and as precursors to photonic band gap materials. However, current image analysis techniques are not able to distinguish between densely packed phases within conventional microscope images, which are mainly characterized by degrees of randomness or order with similar grayscale value properties. Current techniques for identifying the phase boundaries involve manually identifying the phase transitions, which is very tedious and time consuming. We have developed an intelligent machine vision technique that automatically identifies colloidal phase boundaries. The algorithm utilizes intelligent image processing techniques that accurately identify and track phase changes vertically or horizontally for a sequence of colloidal hard sphere suspension images. This technique is readily adaptable to any imaging application where regions of interest are distinguished from the background by differing patterns of motion over time.

  3. Estimation of critical exponents from cluster coefficients and the application of this estimation to hard spheres

    PubMed Central

    Eisenberg, E.; Baram, A.

    2007-01-01

    For a large class of repulsive interaction models, the Mayer cluster integrals can be transformed into a tridiagonal real symmetric matrix Rmn, whose elements converge to two constants with 1/n2 correction. We find exact expressions in terms of these correction terms for the two critical exponents describing the density near the two singular termination points of the fluid phase. We apply the method to the hard-spheres model and find that the metastable fluid phase terminates at ρt = 0.751[5]. The density near the transition is given by ρt-ρ ∼ (zt − z)σ′, where the critical exponent is predicted to be σ′ = 0.0877[25]. Interestingly, the termination density is close to the observed glass transition; thus, the above critical behavior is expected to be associated with the onset of glassy behavior in hard spheres. PMID:17389362

  4. Reactivity of transition metal solvates

    NASA Astrophysics Data System (ADS)

    Berezin, Boris D.

    1991-09-01

    Reactivity data are generalised for one of the most important classes of complexes, solvates, which are quantitatively nearly unstudied. Various approaches to studying and describing the reactivity are compared with respect to solvation of the reagents and the transition state. The specifics and mechanism of ligand substitution in pure and mixed organic solvents are found. The reactivity of simple (homoleptic) and mixed solvates toward macrocycles is examined in detail using porphyrins as an example. The kinetic method of indicator reactions is applied to porphyrins in order to study the state of transition metal salts in organic solvents and the stability of the coordination spheres of acidosalts (MXnn-2), acidosolvates (MX2Sn-2) and their transition states. The concentration dependence of the rate constant of an indicator reaction is demonstrated to be due to a change in the inner coordination sphere and a shift of equilibria between the various coordination complexes. The bibliography includes 38 references.

  5. Ferromagnetic Ground States in Face-Centered Cubic Hubbard Clusters

    PubMed Central

    Souza, T. X. R.; Macedo, C. A.

    2016-01-01

    In this study, the ground state energies of face-centered cubic Hubbard clusters are analyzed using the Lanczos method. Examination of the ground state energy as a function of the number of particle per site n showed an energy minimum for face-centered cubic structures. This energy minimum decreased in n with increasing coulombic interaction parameter U. We found that the ground state energy had a minimum at n = 0.6, when U = 3W, where W denotes the non-interacting energy bandwidth and the face-centered cubic structure was ferromagnetic. These results, when compared with the properties of nickel, shows strong similarity with other finite temperature analyses in the literature and supports the Hirsh’s conjecture that the interatomic direct exchange interaction dominates in driving the system into a ferromagnetic phase. PMID:27583653

  6. Compensation in epitaxial cubic SiC films

    NASA Technical Reports Server (NTRS)

    Segall, B.; Alterovitz, S. A.; Haugland, E. J.; Matus, L. G.

    1986-01-01

    Hall measurements on four n-type cubic SiC films epitaxially grown by chemical vapor deposition on SiC substrates are reported. The temperature dependent carrier concentrations indicate that the samples are highly compensated. Donor ionization energies, E sub D, are less than one half the values previously reported. The values for E sub D and the donor concentration N sub D, combined with results for small bulk platelets with nitrogen donors, suggest the relation E sub D (N sub D) = E sub D(O) - alpha N sub N sup 1/3 for cubic SiC. A curve fit gives alpha is approx 2.6x10/5 meV cm and E sub D (O) approx 48 meV, which is the generally accepted value of E sub D(O) for nitrogen donors in cubic SiC.

  7. Body-centered-cubic Ni and its magnetic properties.

    PubMed

    Tian, C S; Qian, D; Wu, D; He, R H; Wu, Y Z; Tang, W X; Yin, L F; Shi, Y S; Dong, G S; Jin, X F; Jiang, X M; Liu, F Q; Qian, H J; Sun, K; Wang, L M; Rossi, G; Qiu, Z Q; Shi, J

    2005-04-08

    The body-centered-cubic (bcc) phase of Ni, which does not exist in nature, has been achieved as a thin film on GaAs(001) at 170 K via molecular beam epitaxy. The bcc Ni is ferromagnetic with a Curie temperature of 456 K and possesses a magnetic moment of 0.52+/-0.08 micro(B)/atom. The cubic magnetocrystalline anisotropy of bcc Ni is determined to be +4.0x10(5) ergs x cm(-3), as opposed to -5.7x10(4) ergs x cm(-3) for the naturally occurring face-centered-cubic (fcc) Ni. This sharp contrast in the magnetic anisotropy is attributed to the different electronic band structures between bcc Ni and fcc Ni, which are determined using angle-resolved photoemission with synchrotron radiation.

  8. Superhard cubic BC2N compared to diamond.

    PubMed

    Zhang, Yi; Sun, Hong; Chen, Changfeng

    2004-11-05

    Recent experiments claimed successful synthesis of cubic boron-carbonitride compounds BC2N with an extreme hardness second only to diamond. In the present Letter, we examine the ideal strength of cubic BC2N using first-principles calculations. Our results reveal that, despite the large elastic parameters, compositional anisotropy and strain dependent bonding character impose limitation on their strength. Consequently, the hardness of the optimal BC2N structure is predicted to be lower than that of cubic BN, the second hardest material known. The measured extreme hardness of BC2N nanocomposites is most likely due to the nanocrystalline size effect and the bonding to the surrounding amorphous carbon matrix. This may prove to be a general rule useful in the quest for new superhard covalent materials.

  9. Tetragonal and cubic zirconia multilayered ceramic constructs created by EPD.

    PubMed

    Mochales, Carolina; Frank, Stefan; Zehbe, Rolf; Traykova, Tania; Fleckenstein, Christine; Maerten, Anke; Fleck, Claudia; Mueller, Wolf-Dieter

    2013-02-14

    The interest in electrophoretic deposition (EPD) for nanomaterials and ceramics production has widely increased due to the versatility of this technique to effectively combine different materials in unique shapes and structures. We successfully established an EPD layering process with submicrometer sized powders of Y-TZP with different mol percentages of yttrium oxide (3 and 8%) and produced multilayers of alternating tetragonal and cubic phases with a clearly defined interface. The rationale behind the design of these multilayer constructs was to optimize the properties of the final ceramic by combining the high mechanical toughness of the tetragonal phase of zirconia together with the high ionic conductivity of its cubic phase. In this work, a preliminary study of the mechanical properties of these constructs proved the good mechanical integrity of the multilayered constructs obtained as well as crack deflection in the interface between tetragonal and cubic zirconia layers.

  10. Simple adaptive cubic spline interpolation of fluorescence decay functions

    NASA Astrophysics Data System (ADS)

    Kuśba, J.; Czuper, A.

    2007-05-01

    Simple method allowing for adaptive cubic spline interpolation of fluorescence decay functions is proposed. In the first step of the method, the interpolated function is integrated using the known adaptive algorithm based on Newton-Cotes quadratures. It is shown that, in this step, application of the Simpson's rule provides the smallest number of calls of the interpolated function. In the second step of the method, a typical cubic spline approximation is used to find values of the interpolated function between the points evaluated in the first step.

  11. Surface enhanced Raman study of cubic boron nitride

    NASA Astrophysics Data System (ADS)

    Zhang, Xu

    2003-05-01

    Surface enhancement for Raman scattering of single crystal cubic boron nitride (c-BN) (1 1 1) and polycrystalline cubic BN was observed by depositing silver nanoparticles on the substrate surface. The c-BN samples were subjected to hydrogen plasma, as well as deuterium plasma treatment to observe the isotopic shift of surface binding species. Characteristic Raman peaks corresponding to the molecular vibrational modes of surface chemisorbed hydrogen and deuterium could be observed for the first time and were assigned according to ab initio molecular orbital calculations.

  12. Process for producing wurtzitic or cubic boron nitride

    DOEpatents

    Holt, J. Birch; Kingman, deceased, Donald D.; Bianchini, Gregory M.

    1992-01-01

    Disclosed is a process for producing wurtzitic or cubic boron nitride comprising the steps of: [A] preparing an intimate mixture of powdered boron oxide, a powdered metal selected from the group consisting of magnesium or aluminum, and a powdered metal azide; [B] igniting the mixture and bringing it to a temperature at which self-sustaining combustion occurs; [C] shocking the mixture at the end of the combustion thereof with a high pressure wave, thereby forming as a reaction product, wurtzitic or cubic boron nitride and occluded metal oxide; and, optionally [D] removing the occluded metal oxide from the reaction product. Also disclosed are reaction products made by the process described.

  13. Process for producing wurtzitic or cubic boron nitride

    DOEpatents

    Holt, J.B.; Kingman, D.D.; Bianchini, G.M.

    1992-04-28

    Disclosed is a process for producing wurtzitic or cubic boron nitride comprising the steps of: [A] preparing an intimate mixture of powdered boron oxide, a powdered metal selected from the group consisting of magnesium or aluminum, and a powdered metal azide; [B] igniting the mixture and bringing it to a temperature at which self-sustaining combustion occurs; [C] shocking the mixture at the end of the combustion thereof with a high pressure wave, thereby forming as a reaction product, wurtzitic or cubic boron nitride and occluded metal oxide; and, optionally [D] removing the occluded metal oxide from the reaction product. Also disclosed are reaction products made by the process described.

  14. Stationary phase analysis of generalized cubic phase mask wavefront coding

    NASA Astrophysics Data System (ADS)

    Liu, Ming; Dong, Liquan; Zhao, Yuejin; Hui, Mei; Jia, Wei

    2013-07-01

    The modified generalized cubic phase mask (GCPM) has recently been applied in wavefront coding systems including infrared imaging and microscopy. In this paper, the stationary phase method is employed to analyze the GCPM characteristics. The SPA of the modulation transfer function (MTF) under misfocus aberration is derived for a wavefront coding system with a GCPM. The approximation corresponds with the Fast Fourier Transform (FFT) approach. On the basis of this approximation, we compare the characteristics of GCPM and cubic phase masks (CPM). A GCPM design approach based on stationary phase approximation is presented which helps to determine the initial parameter of phase mask, significantly decreasing the computational time required for numerical simulation.

  15. Optical spectroscopy of cubic GaN in nanowires

    NASA Astrophysics Data System (ADS)

    Renard, J.; Tourbot, G.; Sam-Giao, D.; Bougerol, C.; Daudin, B.; Gayral, B.

    2010-08-01

    We show that highly homogeneous cubic GaN can be grown by plasma-assisted molecular beam epitaxy on wurtzite GaN nanowires. The line width of the donor bound exciton is below 3 meV and can reach 1.6 meV in the best parts of the studied sample. This allows to perform a detailed spectroscopy of cubic GaN, and, in particular, to determine the precise spectral positions of the donor bound exciton, the fundamental free exciton and the split-off exciton in a photoluminescence experiment.

  16. The singular cubical set of a topological space

    NASA Astrophysics Data System (ADS)

    Antolini, Rosa; Wiest, Bert

    1999-01-01

    For any topological space X let C(X) be the realization of the singular cubical set of X; let * be the topological space consisting of one point. In [1] Antolini proves, as a corollary to a general theorem about cubical sets, that C(X) and X×C(*) are homotopy equivalent, provided X is a CW-complex. In this note we give a short geometric proof that for any topological space X there is a natural weak homotopy equivalence between C(X) and X×C(*).

  17. Dynamical stabilization of solitons in cubic-quintic nonlinear Schroedinger model

    SciTech Connect

    Abdullaev, Fatkhulla Kh.; Garnier, Josselin

    2005-09-01

    We consider the existence of a dynamically stable soliton in the one-dimensional cubic-quintic nonlinear Schroedinger model with strong cubic nonlinearity management for periodic and random modulations. We show that the predictions of the averaged cubic-quintic nonlinear Schroedinger (NLS) equation and modified variational approach for the arrest of collapse coincide. The analytical results are confirmed by numerical simulations of a one-dimensional cubic-quintic NLS equation with a rapidly and strongly varying cubic nonlinearity coefficient.

  18. Hypersonic vibrations of Ag@SiO2 (cubic core)-shell nanospheres.

    PubMed

    Sun, Jing Ya; Wang, Zhi Kui; Lim, Hock Siah; Ng, Ser Choon; Kuok, Meng Hau; Tran, Toan Trong; Lu, Xianmao

    2010-12-28

    The intriguing optical and catalytic properties of metal-silica core-shell nanoparticles, inherited from their plasmonic metallic cores together with the rich surface chemistry and increased stability offered by their silica shells, have enabled a wide variety of applications. In this work, we investigate the confined vibrational modes of a series of monodisperse Ag@SiO(2) (cubic core)-shell nanospheres synthesized using a modified Stöber sol-gel method. The particle-size dependence of their mode frequencies has been mapped by Brillouin light scattering, a powerful tool for probing hypersonic vibrations. Unlike the larger particles, the observed spheroidal-like mode frequencies of the smaller ones do not scale with inverse diameter. Interestingly, the onset of the deviation from this linearity occurs at a smaller particle size for higher-energy modes than for lower-energy ones. Finite element simulations show that the mode displacement profiles of the Ag@SiO(2) core-shells closely resemble those of a homogeneous SiO(2) sphere. Simulations have also been performed to ascertain the effects that the core shape and the relative hardness of the core and shell materials have on the vibrations of the core-shell as a whole. As the vibrational modes of a particle have a bearing on its thermal and mechanical properties, the findings would be of value in designing core-shell nanostructures with customized thermal and mechanical characteristics.

  19. Practical box splines for reconstruction on the body centered cubic lattice.

    PubMed

    Entezari, Alireza; Van De Ville, Dimitri; Möeller, Torsten

    2008-01-01

    We introduce a family of box splines for efficient, accurate and smooth reconstruction of volumetric data sampled on the Body Centered Cubic (BCC) lattice, which is the favorable volumetric sampling pattern due to its optimal spectral sphere packing property. First, we construct a box spline based on the four principal directions of the BCC lattice that allows for a linear C(0) reconstruction. Then, the design is extended for higher degrees of continuity. We derive the explicit piecewise polynomial representation of the C(0) and C(2) box splines that are useful for practical reconstruction applications. We further demonstrate that approximation in the shift-invariant space---generated by BCC-lattice shifts of these box splines---is {twice} as efficient as using the tensor-product B-spline solutions on the Cartesian lattice (with comparable smoothness and approximation order, and with the same sampling density). Practical evidence is provided demonstrating that not only the BCC lattice is generally a more accurate sampling pattern, but also allows for extremely efficient reconstructions that outperform tensor-product Cartesian reconstructions.

  20. Image based measurement for the center position error of micro-sphere in micro-target

    NASA Astrophysics Data System (ADS)

    Wang, Ting; Qiu, Zurong; Wang, Jinjiang; Wang, Bingzhen

    2008-03-01

    Micro-sphere is the key element in ICF (Inertial Confinement Fusion).The relative position between micro-sphere and cylindrical gold hohlraum is required to be critically accurate so that the motivation energy and transition efficiency of the ICF can be significantly improved. Accurate detection of micro-target assembly (especially the center position error) is necessary and indispensable to ascertain the qualities of ignitions. The micro-sphere and cylindrical gold hohlraum have tiny dimensions and are flimsy and easy to deform. To resolve such problems, a non-contact method based on digital image progressing is proposed to detect the center position error of micro-sphere in this paper. Canny operator is employed to detect the gray-level gradient image. After removing the fake edge points, the images are transformed into binary images by a dual-threshold. To increase the operation speed, a region of interest (ROI) containing only parts of the detected target is selected by alternating manual work. A Hough transform is then selectively applied to the chosen sub-area. The equations of the target circles and the lines can be gotten by fitting these edge points. The center position error of micro-sphere can be obtained based on axial and radial position errors of micro-sphere. Experimental results show that the proposed method is independent of binary thresholds and robust to additional noises. The standard deviation of the center position error is about 2μm, and the maximum error (3σ) is less than 6μm.

  1. Growth of defect-free colloidal hard-sphere crystals using colloidal epitaxy

    NASA Astrophysics Data System (ADS)

    Dasgupta, Tonnishtha; Edison, John R.; Dijkstra, Marjolein

    2017-02-01

    Using event-driven Brownian dynamics simulations, we investigate the epitaxial growth of hard-sphere crystals with a face-centered-cubic (fcc) structure on the three densest cross-sectional planes of the fcc: (i) fcc (100), (ii) fcc (111), and (iii) fcc (110). We observe that for high settling velocities, large fcc crystals with very few extended defects grow on the fcc (100) template. Our results show good agreement with the experiments of Jensen et al. [Soft Matter 9, 320 (2013)], who observed such large fcc crystals upon centrifugation on an fcc (100) template. We also compare the quality of the fcc crystal formed on the fcc (111) and fcc (110) templates with that of the fcc (100) template and conclude that the latter yields the best crystal. We also briefly discuss the dynamical behavior of stacking faults that occur in the sediments.

  2. Fully-resolved slumping of a pile of spheres in a fluid

    NASA Astrophysics Data System (ADS)

    Wang, Yayun; Sierakowski, Adam; Prosperetti, Andrea

    2015-11-01

    Turbidity currents form when a particle-laden fluid propagates into the lighter clear fluid in a predominantly horizontal direction. This work studies some microscopic aspects of the phenomenon by simulating numerically the evolution of a block of several hundred spheres released from an initial roughly cubic pile resting on the bottom of a liquid pool. The motion of the particles as well as the liquid flow are fully resolved by the Physalis method. The process undergoes several stages starting with an initial inertia-dominated one and ending with viscosity-dominated flow. The effects of the particle mass on the evolution of the kinetic energy of the particles and of the fluid, on the viscous energy dissipation and on the velocity of the front of the turbidity current will be analyzed. The study of the pair distribution function and of particle triads and tetrads sheds light on the evolution of the mutual particle arrangement. Supported by NSF award No CBET 1335965.

  3. Growth of defect-free colloidal hard-sphere crystals using colloidal epitaxy.

    PubMed

    Dasgupta, Tonnishtha; Edison, John R; Dijkstra, Marjolein

    2017-02-21

    Using event-driven Brownian dynamics simulations, we investigate the epitaxial growth of hard-sphere crystals with a face-centered-cubic (fcc) structure on the three densest cross-sectional planes of the fcc: (i) fcc (100), (ii) fcc (111), and (iii) fcc (110). We observe that for high settling velocities, large fcc crystals with very few extended defects grow on the fcc (100) template. Our results show good agreement with the experiments of Jensen et al. [Soft Matter 9, 320 (2013)], who observed such large fcc crystals upon centrifugation on an fcc (100) template. We also compare the quality of the fcc crystal formed on the fcc (111) and fcc (110) templates with that of the fcc (100) template and conclude that the latter yields the best crystal. We also briefly discuss the dynamical behavior of stacking faults that occur in the sediments.

  4. Viscosity of concentrated suspensions of sphere/rod mixtures

    SciTech Connect

    Mor, R.; Gottlieb, M.; Graham, A.L.; Mondy, L.A.

    1996-05-01

    This paper discusses the viscosity of concentrated suspensions of sphere/rod mixtures by adopting the Thomas relations for spheres and Milliken`s for randomly oriented rods with aspect ratio of 20. The relative viscosity of a mixed suspension may now be calculated for any combination of rods (of aspect ratio 20) and spheres.

  5. Pressure-driven orbital reorientations and coordination-sphere reconstructions in [CuF2(H2O)2(pyz)

    SciTech Connect

    Prescimone, A.; Morien, C.; Allan, D.; Schlueter, J.; Tozer, S.; Manson, J. L.; Parsons, S.; Brechin, E. K.; Hill, S.

    2012-07-23

    Successive reorientations of the Jahn-Teller axes associated with the Cu{sup II} ions accompany a series of pronounced structural transitions in the title compound, as is shown by X-ray crystallography and high-frequency EPR measurements. The second transition forces a dimerization involving two thirds of the Cu{sup II} sites due to ejection of one of the water molecules from the coordination sphere

  6. Barrel-Clamshell analog in the capillary bridges between two solid spheres

    NASA Astrophysics Data System (ADS)

    Bird, James; Farmer, Timothy

    2014-11-01

    Sessile drops on a wire are known to adopt one of two topological configurations, referred to as a barrel or a clamshell, depending on the volume and contact angle. Here we report on an analogous topological transition for the capillary bridge between two contacting solid spheres. We characterize the transition by numerically computing the bridge shapes that minimize surface energy for a variety of contact angles and volumes. Finally, we are able to develop an exact solution to the non-axisymmetric bridge shapes by relying on symmetries of the geometry.

  7. Fibonacci numerical integration on a sphere

    NASA Astrophysics Data System (ADS)

    Hannay, J. H.; Nye, J. F.

    2004-12-01

    For elementary numerical integration on a sphere, there is a distinct advantage in using an oblique array of integration sampling points based on a chosen pair of successive Fibonacci numbers. The pattern has a familiar appearance of intersecting spirals, avoiding the local anisotropy of a conventional latitude longitude array. Besides the oblique Fibonacci array, the prescription we give is also based on a non-uniform scaling used for one-dimensional numerical integration, and indeed achieves the same order of accuracy as for one dimension: error ~N-6 for N points. This benefit of Fibonacci is not shared by domains of integration with boundaries (e.g., a square, for which it was originally proposed); with non-uniform scaling the error goes as N-3, with or without Fibonacci. For experimental measurements over a sphere our prescription is realized by a non-uniform Fibonacci array of weighted sampling points.

  8. Criticality of a {sup 237}Np Sphere

    SciTech Connect

    Sanchez, Rene G.; Hayes, David K.; Cappiello, Charlene C.; Myers, William L.; Jaegers, Peter J.; Clement, Steven D.; Butterfield, Kenneth B.

    2003-07-22

    A critical mass experiment using a 6-kg {sup 237}Np sphere has been performed. The purpose of the experiment is to get a better estimate of the critical mass of {sup 237}Np. To attain criticality, the {sup 237}Np sphere was surrounded with 93 wt % {sup 235}U shells. A 1/M as a function of uranium mass was performed. An MCNP neutron transport code was used to model the experiment. The MCNP code yielded a k{sub eff} of 0.99089 {+-} 0.0003 compared with a k{sub eff} 1.0026 for the experiment. Based on these results, it is estimated that the critical mass of {sup 237}Np ranges from kilogram weights in the high fifties to low sixties.

  9. Rheology of cubic particles suspended in a Newtonian fluid.

    PubMed

    Cwalina, Colin D; Harrison, Kelsey J; Wagner, Norman J

    2016-05-18

    Many real-world industrial processes involve non-spherical particles suspended in a fluid medium. Knowledge of the flow behavior of these suspensions is essential for optimizing their transport properties and designing processing equipment. In the present work, we explore and report on the rheology of concentrated suspensions of cubic-shaped colloidal particles under steady and dynamic shear flow. These suspensions exhibit a rich non-Newtonian rheology that includes shear thickening and normal stress differences at high shear stresses. Scalings are proposed to connect the material properties of these suspensions of cubic particle to those measured for suspensions of spherical particles. Negative first normal stress differences indicate that lubrication hydrodynamic forces dominate the stress in the shear-thickened state. Accounting for the increased lubrication hydrodynamic interactions between the flat surfaces of the cubic particles allows for a quantitative comparison of the deviatoric stress in the shear-thickened state to that of spherical particles. New semi-empirical models for the viscosity and normal stress difference coefficients are presented for the shear-thickened state. The results of this study indicate that cubic particles offer new and unique opportunities to formulate colloidal dispersions for field-responsive materials.

  10. Tangent Lines without Derivatives for Quadratic and Cubic Equations

    ERIC Educational Resources Information Center

    Carroll, William J.

    2009-01-01

    In the quadratic equation, y = ax[superscript 2] + bx + c, the equation y = bx + c is identified as the equation of the line tangent to the parabola at its y-intercept. This is extended to give a convenient method of graphing tangent lines at any point on the graph of a quadratic or a cubic equation. (Contains 5 figures.)

  11. An effective packing density of binary cubic crystals

    NASA Astrophysics Data System (ADS)

    Eremin, I. E.; Eremina, V. V.; Sychev, M. S.; Moiseenko, V. G.

    2015-04-01

    The methodology of effective macroscopic calculation of numerical values of internuclear distances in binary crystals of a cubic crystal system is based on the use of coefficients of the structural packing density of the crystal lattice. The possibility of combining the reference data on the main physicochemical parameters of the substance is implemented by synthesis of the corresponding mathematical models.

  12. Connecting the Dots Parametrically: An Alternative to Cubic Splines.

    ERIC Educational Resources Information Center

    Hildebrand, Wilbur J.

    1990-01-01

    Discusses a method of cubic splines to determine a curve through a series of points and a second method for obtaining parametric equations for a smooth curve that passes through a sequence of points. Procedures for determining the curves and results of each of the methods are compared. (YP)

  13. Cubic surfaces and their invariants: Some memories of Raymond Stora

    NASA Astrophysics Data System (ADS)

    Bauer, Michel

    2016-11-01

    Cubic surfaces embedded in complex projective 3-space are a classical illustration of the use of old and new methods in algebraic geometry. Recently, they made their appearance in physics, and in particular aroused the interest of Raymond Stora, to the memory of whom these notes are dedicated, and to whom I'm very much indebted.

  14. Assessing Inquiry Learning: How Much Is a Cubic Metre?

    ERIC Educational Resources Information Center

    Fry, Kym

    2014-01-01

    In this article, Kym Fry uses the "Programme for International Student Assessment" (PISA) assessment framework to break down what her Year 6 students learned as they explored the inquiry question, "How much is a cubic metre?" First, an overview of the lessons in the unit is provided. Quality assessment opportunities are…

  15. Lattice Green's Function for the Body-Centered Cubic Lattice

    NASA Astrophysics Data System (ADS)

    Sakaji, A. J.

    2002-05-01

    An expression for the Green's function (GF) of Body-Centered Cubic (BCC) lat tice is evaluated analytically and numerically for a single impurity lattice. Th e density of states (DOS), phase shift, and scattering cross section are express ed in terms of complete elliptic integrals of the first kind.

  16. Weighted energy problem on the unit sphere

    NASA Astrophysics Data System (ADS)

    Bilogliadov, Mykhailo

    2016-12-01

    We consider the minimal energy problem on the unit sphere S^2 in the Euclidean space R^3 immersed in an external field Q, where the charges are assumed to interact via Newtonian potential 1/ r, r being the Euclidean distance. The problem is solved by finding the support of the extremal measure, and obtaining an explicit expression for the equilibrium density. We then apply our results to an external field generated by a point charge, and to a quadratic external field.

  17. Diffusion processes in general relativistic radiating spheres

    SciTech Connect

    Barreto, W.; Herrera, L.; Santos, N.O.; Universidad Central de Venezuela, Caracas; Observatorio Nacional do Brasil, Rio de Janeiro )

    1989-09-01

    The influence of diffusion processes on the dynamics of general relativistic radiating spheres is systematically studied by means of two examples. Differences between the streaming-out limit and the diffusion limit are exhibited, for both models, through the evolution curves of dynamical variables. In particular it is shown the Bondi mass decreases, for both models, in the diffusion limit as compared with its value at the streaming-out regime. 15 refs.

  18. Improved method for producing small hollow spheres

    DOEpatents

    Rosencwaig, A.; Koo, J.C.; Dressler, J.L.

    An improved method and apparatus for producing small hollow spheres of glass having an outer diameter ranging from about 100..mu.. to about 500..mu.. with a substantially uniform wall thickness in the range of about 0.5 to 20..mu.. are described. The method involves introducing aqueous droplets of a glass-forming solution into a long vertical drop oven or furnace having varying temperature regions.

  19. Modeling of long-range memory processes with inverse cubic distributions by the nonlinear stochastic differential equations

    NASA Astrophysics Data System (ADS)

    Kaulakys, B.; Alaburda, M.; Ruseckas, J.

    2016-05-01

    A well-known fact in the financial markets is the so-called ‘inverse cubic law’ of the cumulative distributions of the long-range memory fluctuations of market indicators such as a number of events of trades, trading volume and the logarithmic price change. We propose the nonlinear stochastic differential equation (SDE) giving both the power-law behavior of the power spectral density and the long-range dependent inverse cubic law of the cumulative distribution. This is achieved using the suggestion that when the market evolves from calm to violent behavior there is a decrease of the delay time of multiplicative feedback of the system in comparison to the driving noise correlation time. This results in a transition from the Itô to the Stratonovich sense of the SDE and yields a long-range memory process.

  20. Equatorial symmetry of Boussinesq convective solutions in a rotating spherical shell allowing rotation of the inner and outer spheres

    SciTech Connect

    Kimura, Keiji; Takehiro, Shin-ichi; Yamada, Michio

    2014-08-15

    We investigate properties of convective solutions of the Boussinesq thermal convection in a moderately rotating spherical shell allowing the respective rotation of the inner and outer spheres due to the viscous torque of the fluid. The ratio of the inner and outer radii of the spheres, the Prandtl number, and the Taylor number are fixed to 0.4, 1, and 500{sup 2}, respectively. The Rayleigh number is varied from 2.6 × 10{sup 4} to 3.4 × 10{sup 4}. In this parameter range, the behaviours of obtained asymptotic convective solutions are almost similar to those in the system whose inner and outer spheres are restricted to rotate with the same constant angular velocity, although the difference is found in the transition process to chaotic solutions. The convective solution changes from an equatorially symmetric quasi-periodic one to an equatorially symmetric chaotic one, and further to an equatorially asymmetric chaotic one, as the Rayleigh number is increased. This is in contrast to the transition in the system whose inner and outer spheres are assumed to rotate with the same constant angular velocity, where the convective solution changes from an equatorially symmetric quasi-periodic one, to an equatorially asymmetric quasi-periodic one, and to equatorially asymmetric chaotic one. The inner sphere rotates in the retrograde direction on average in the parameter range; however, it sometimes undergoes the prograde rotation when the convective solution becomes chaotic.

  1. Topological lifetimes of polydisperse colloidal hard spheres at a wall

    NASA Astrophysics Data System (ADS)

    Dullens, Roel P. A.; Kegel, Willem K.

    2005-01-01

    Confocal scanning laser microscopy was used to study the behavior of dense suspensions of model colloidal hard spheres at a single wall. Due to the slight polydispersity, our system shows a reentrant melting transition at high densities involving a hexatic structure [R. P. A. Dullens and W. K. Kegel, Phys. Rev. Lett 92, 195702 (2004)]. The reentrant melting transition is accompanied by an increase in the mean-squared displacement. The correlation between structure and dynamics was quantitatively analyzed on a single-particle level. In particular, the topological lifetime, being the average time that a particle spends having the same coordination number, is determined for all coordination numbers and as a function of volume fraction. The defective (non-sixfold-coordinated) particles exhibit shorter lifetimes than sixfold-coordinated particles, indicating that the mobility of the system is larger at or close to defective particles. The lifetime itself is a strong function of volume fraction. In particular, the global behavior of the mean-squared displacement is proportional to the hopping frequency (the inverse of the lifetime), showing that particles changing their coordination number contribute most to the local mobility.

  2. Study of the Unequal Spheres Packing Problem:

    NASA Astrophysics Data System (ADS)

    Li, S. P.; Ng, Ka-Lok

    We employ the Monte Carlo method to study a constrained optimization problem — packing hard spheres with unequal radii (r2 > r1) into a 3D bounded region and discuss its connection with the Gamma Knife radiosurgery treatment planning. Selection of the best fit solution is based on the Boltzmann factor, e-ΔE/T, which allows us to search for the global optimal solution. As an illustration we determined the least number (≤15) of packed spheres that will occupy the largest volume for three different hypothetical tumor sizes (4115, 10 000 and 36 000 voxels). For the bounded regions and the sizes of the packed spheres that we studied here, the optimal volume packing ratio ranges from 41.3 to 48.7%. From our study, using a lower r2/r1 ratio is more desirable due to the ≤15 radiation shots constraint. The optimal volume packing ratio can be obtained within a relative short CPU computing time and could provide a good starting point for the radiosurgery treatment planning.

  3. Method for producing small hollow spheres

    DOEpatents

    Rosencwaig, Allen; Koo, Jackson C.; Dressler, John L.

    1981-01-01

    A method for producing small hollow spheres of glass having an outer diameter ranging from about 100.mu. to about 500.mu. with a substantially uniform wall thickness in the range of about 0.5-20.mu.. The method involves introducing aqueous droplets of a glass-forming solution into a long vertical drop oven or furnace having varying temperature regions. In one embodiment, one of the temperature regions is lower than both the preceeding region and the subsequent region. One region utilizes a temperature of at least 200.degree. C. higher than the melting point of the glass-forming material in the solution and, for example, may be at least 3 times higher than the temperature of the preceeding region. In addition, there is a sharp temperature gradient between these regions. As each droplet of solution passes through a first region it forms into a gel membrane having a spherical shape and encapsulates the rest of the drop retained in the elastic outer surface and the water entrapped within diffuses rapidly through the thin gel membrane which causes more of the glass-forming material to go out of solution and is incorporated into the gel membrane causing it to grow in size and become hollow. thus produced hollow glass sphere has a sphericity, concentricity, and wall uniformity of better than 5%. The sphere is capable of retaining material of up to at least 100 atmospheres therein over long periods of time. In one embodiment.

  4. ODERACS 2 White Spheres Optical Calibration Report

    NASA Technical Reports Server (NTRS)

    Culp, Robert D.; Gravseth, Ian; Gloor, Jason; Wantuch, Todd

    1995-01-01

    This report documents the status of the Orbital Debris Radar Calibration Spheres (ODERACS) 2 white spheres optical calibration study. The purpose of this study is to determine the spectral reflectivity and scattering characteristics in the visible wavelength region for the white spheres that were added to the project in the fall, 1994. Laboratory measurements were performed upon these objects and an analysis of the resulting data was conducted. These measurements are performed by illuminating the objects with a collimated beam of light and measuring the reflected light versus the phase angle. The phase angle is defined as the angle between the light source and the sensor, as viewed from the object. By measuring the reflected signal at the various phase angles, one is able to estimate the reflectance properties of the object. The methodology used in taking the measurements and reducing the data are presented. The results of this study will be used to support the calibration of ground-based optical instruments used in support of space debris research. Visible measurements will be made by the GEODDS, NASA and ILADOT telescopes.

  5. Effects of confinement on a rotating sphere

    NASA Astrophysics Data System (ADS)

    Liu, Qianlong; Prosperetti, Andrea

    2009-11-01

    The hydrodynamic force and couple acting on a rotating sphere in a quiescent fluid are modified by nearby boundaries with possible consequences on spin-up and spin-down times of particles uspended in a fluid, their wall deposition, entraiment and others. Up to now, the vast majority of papers dealing with these problems have considered the low-Reynolds-number regime. This paper focuses on the effect of inertia on the hydrodynamic interaction of a spinning sphere with nearby boundaries. Rotation axes parallel and perpendicular to a plane boundary as well as other situations are studied. Several steady and transient numerical results are presented and interptreted in terms of physical scaling arguments. The Navier-Stokes equations for an incompressible, constant-property Newtonian fluid are solved by the finite-difference PHYSALIS method. Among the noteworthy features of this method are the fact that the no-slip condition at the particle surface is satisfied exactly and that the force and torque on the sphere are obtained directly as a by-product of the computation. This feature avoids the need to integrate the stress over the particle surface, which with other methods is a step prone to numerical inaccuracies. A locally refined mesh surrounding the particle is used to enhance the resolution of boundary layers maintaining a manageable overall computational cost.

  6. Integrating spheres for improved skin photodynamic therapy.

    PubMed

    Glennie, Diana L; Farrell, Thomas J; Hayward, Joseph E; Patterson, Michael S

    2010-01-01

    The prescribed radiant exposures for photodynamic therapy (PDT) of superficial skin cancers are chosen empirically to maximize the success of the treatment while minimizing adverse reactions for the majority of patients. They do not take into account the wide range of tissue optical properties for human skin, contributing to relatively low treatment success rates. Additionally, treatment times can be unnecessarily long for large treatment areas if the laser power is not sufficient. Both of these concerns can be addressed by the incorporation of an integrating sphere into the irradiation apparatus. The light fluence rate can be increased by as much as 100%, depending on the tissue optical properties. This improvement can be determined in advance of treatment by measuring the reflectance from the tissue through a side port on the integrating sphere, allowing for patient-specific treatment times. The sphere is also effective at improving beam flatness, and reducing the penumbra, creating a more uniform light field. The side port reflectance measurements are also related to the tissue transport albedo, enabling an approximation of the penetration depth, which is useful for real-time light dosimetry.

  7. Porcine sperm vitrification II: Spheres method.

    PubMed

    Arraztoa, C C; Miragaya, M H; Chaves, M G; Trasorras, V L; Gambarotta, M C; Neild, D M

    2016-11-10

    Owing to current problems in boar sperm cryopreservation, this study proposes to evaluate vitrification in spheres as an alternative cryopreservation procedure, comparing the use or not of permeable cryoprotectants and two warming methods. Extended (n = 3; r = 4) and raw (n = 5; r = 2) porcine spermatozoa were diluted in media, in the absence or presence of either 4% dimethylformamide or 4% glycerol, to a final concentration of 5 × 10(6)  spermatozoa/ml and vitrified using the spheres method. Two warming procedures were evaluated: a rapid method (30 s at 37°C) and an ultrarapid method (7 s at 75°C, followed by 30 s at 37°C). Percentages of total motility (phase contrast), membrane function (hypo-osmotic swelling test), acrosome integrity (phase contrast), sperm viability (6-carboxyfluorescein diacetate and propidium iodide stain), chromatin condensation (toluidine blue stain) and chromatin susceptibility to acid denaturation (acridine orange stain) were evaluated in the samples before and after vitrification. Results, analysed using Friedman's test, suggest that rapid warming of raw porcine spermatozoa vitrified without permeable cryoprotectants may preserve DNA condensation and integrity better than the other processing methods studied in this work. Hence, porcine sperm vitrification using spheres could be used to produce embryos with ICSI to further validate this method.

  8. On the separation mechanics of accelerating spheres

    NASA Astrophysics Data System (ADS)

    Fernando, John N.; Marzanek, Mathew; Bond, Clinton; Rival, David E.

    2017-03-01

    The instantaneous drag forces and wake mechanics of an accelerating sphere have been investigated experimentally. Drag forces are first compared to the circular flat plate, which is characterized by stable and Reynolds-number independent vortex-ring formation during accelerations from rest. For the sphere, vortex-ring formation is shown to be greatly suppressed by the time-dependent movement of the separation line during start-up towards the steady-state position, which induces strong vortex-body interactions. Next, inviscid theory is used to predict the state of the pressure-gradient field around a sphere during accelerations from a non-zero initial velocity. The azimuthal point of separation extracted from experimental data for the subcritical cases is found to be strongly correlated with the start of the adverse pressure gradient predicted by theory. For the supercritical cases, the point of separation is unaffected by the imposed accelerations and remains at the steady-state position. The results suggest that accelerations can only be exploited to delay flow separation at Reynolds numbers with steady separation points near the apex, where the tangential accelerations are the largest.

  9. Planetary Education and Outreach Using the NOAA Science on a Sphere

    NASA Technical Reports Server (NTRS)

    Simon-Miller, A. A.; Williams, D. R.; Smith, S. M.; Friedlander, J. S.; Mayo, L. A.; Clark, P. E.; Henderson, M. A.

    2011-01-01

    animated at frame rates up to 30 frames per second. Transitions, special effects, and other computer graphics techniques can be added to a sequence through the use of off-the-shelf software, like Final Cut Pro. However, one drawback is that the Sphere cannot be used in the same manner as a flat movie screen; images cannot be pushed to a "side", a highlighted area must be viewable to all sides of the room simultaneously, and some transitions do not work as well as others. We discuss these issues and workarounds in our poster.

  10. Topological Expansion in the Complex Cubic Log-Gas Model: One-Cut Case

    NASA Astrophysics Data System (ADS)

    Bleher, Pavel; Deaño, Alfredo; Yattselev, Maxim

    2017-02-01

    We prove the topological expansion for the cubic log-gas partition function Z_N(t)= int _Γ \\cdots int _Γ prod _{1≤jcubic log-gas model exhibits two phase regions on the complex t-plane, with one cut and two cuts, separated by analytic critical arcs of the two types of phase transition: split of a cut and birth of a cut. The common point of the critical arcs is a tricritical point of the Painlevé I type. In the present paper we prove the topological expansion for log Z_N(t) in the one-cut phase region. The proof is based on the Riemann-Hilbert approach to semiclassical asymptotic expansions for the associated orthogonal polynomials and the theory of S-curves and quadratic differentials.

  11. The Role of Ligand Packing Frustration in Body-Centered Cubic (bcc) Superlattices of Colloidal Nanocrystals.

    PubMed

    Goodfellow, Brian W; Yu, Yixuan; Bosoy, Christian A; Smilgies, Detlef-M; Korgel, Brian A

    2015-07-02

    This paper addresses the assembly of body centered-cubic (bcc) superlattices of organic ligand-coated nanocrystals. First, examples of bcc superlattices of dodecanethiol-capped Au nanocrystals and oleic acid-capped PbS and PbSe nanocrystals are presented and examined by transmission electron microscopy (TEM) and grazing incidence small-angle X-ray scattering (GISAXS). These superlattices tend to orient on their densest (110) superlattice planes and exhibit a significant amount of {112} twinning. The same nanocrystals deposit as monolayers with hexagonal packing, and these thin films can coexist with thicker bcc superlattice layers, even though there is no hexagonal plane in a bcc lattice. Both the preference of bcc in bulk films over the denser face-centered cubic (fcc) superlattice structure and the transition to hexagonal monolayers can be rationalized in terms of packing frustration of the ligands. A model is presented to calculate the difference in entropy associated with capping ligand packing frustration in bcc and fcc superlattices.

  12. The role of bond tangency and bond gap in hard sphere crystallization of chains.

    PubMed

    Karayiannis, Nikos Ch; Foteinopoulou, Katerina; Laso, Manuel

    2015-03-07

    We report results from Monte Carlo simulations on dense packings of linear, freely-jointed chains of hard spheres of uniform size. In contrast to our past studies where bonded spheres along the chain backbone were tangent, in the present work a finite tolerance in the bond is allowed. Bond lengths are allowed to fluctuate in the interval [σ, σ + dl], where σ is the sphere diameter. We find that bond tolerance affects the phase behaviour of hard-sphere chains, especially in the close vicinity of the melting transition. First, a critical dl(crit) exists marking the threshold for crystallization, whose value decreases with increasing volume fraction. Second, bond gaps enhance the onset of phase transition by accelerating crystal nucleation and growth. Finally, bond tolerance has an effect on crystal morphologies: in the tangent limit the majority of structures correspond to stack-faulted random hexagonal close packing (rhcp). However, as bond tolerance increases a wealth of diverse structures can be observed: from single fcc (or hcp) crystallites to random hcp/fcc stackings with multiple directions. By extending the simulations over trillions of MC steps (10(12)) we are able to observe crystal-crystal transitions and perfection even for entangled polymer chains in accordance to the Ostwald's rule of stages in crystal polymorphism. Through simple geometric arguments we explain how the presence of rigid or flexible constraints affects crystallization in general atomic and particulate systems. Based on the present results, it can be concluded that proper tuning of bond gaps and of the connectivity network can be a controlling factor for the phase behaviour of model, polymer-based colloidal and granular systems.

  13. Statistical equilibria of the coupled barotropic flow and shallow water flow on a rotating sphere

    NASA Astrophysics Data System (ADS)

    Ding, Xueru

    The motivation of this research is to build equilibrium statistical models that can apply to explain two enigmatic phenomena in the atmospheres of the solar system's planets: (1) the super-rotation of the atmospheres of slowly-rotating terrestrial planets---namely Venus and Titan, and (2) the persistent anticyclonic large vortex storms on the gas giants, such as the Great Red Spot (GRS) on Jupiter. My thesis is composed of two main parts: the first part focuses on the statistical equilibrium of the coupled barotropic vorticity flow (non-divergent) on a rotating sphere; the other one has to do with the divergent shallow water flow rotating sphere system. The statistical equilibria of these two systems are simulated in a wide range of parameter space by Monte Carlo methods based on recent energy-relative enstrophy theory and extended energy-relative enstrophy theory. These kind of models remove the low temperatures defect in the old classical doubly canonical energy-enstrophy theory which cannot support any phase transitions. The other big difference of our research from previous work is that we work on the coupled fluid-sphere system, which consists of a rotating high density rigid sphere, enveloped by a thin shell of fluid. The sphere is considered to have infinite mass and angular momentum; therefore, it can serve as a reservoir of angular momentum. Unlike the fluid sphere system itself, the coupled fluid sphere system allows for the exchange of angular momentum between the atmosphere and the solid planet. This exchange is the key point in any model that is expected to capture coherent structures such as the super-rotation and GRS-like vortices problems in planetary atmospheres. We discovered that slowly-rotating planets can have super-rotation at high energy state. All known slowly-rotating cases in the solar system---Venus and Titan---have super-rotation. Moreover, we showed that the anticyclonicity in the GRS-like structures is closely associated with the

  14. Stabilizing the hexagonal close packed structure of hard spheres with polymers: Phase diagram, structure, and dynamics.

    PubMed

    Edison, John R; Dasgupta, Tonnishtha; Dijkstra, Marjolein

    2016-08-07

    We study the phase behaviour of a binary mixture of colloidal hard spheres and freely jointed chains of beads using Monte Carlo simulations. Recently Panagiotopoulos and co-workers predicted [Nat. Commun. 5, 4472 (2014)] that the hexagonal close packed (HCP) structure of hard spheres can be stabilized in such a mixture due to the interplay between polymer and the void structure in the crystal phase. Their predictions were based on estimates of the free-energy penalty for adding a single hard polymer chain in the HCP and the competing face centered cubic (FCC) phase. Here we calculate the phase diagram using free-energy calculations of the full binary mixture and find a broad fluid-solid coexistence region and a metastable gas-liquid coexistence region. For the colloid-monomer size ratio considered in this work, we find that the HCP phase is only stable in a small window at relatively high polymer reservoir packing fractions, where the coexisting HCP phase is nearly close packed. Additionally we investigate the structure and dynamic behaviour of these mixtures.

  15. The history and role of the cubic law for fluid flow in fractured rocks

    NASA Astrophysics Data System (ADS)

    Zimmerman, R. W.

    2012-12-01

    The hydraulic transmissivity of a channel bounded by two smooth parallel walls that are separated by an aperture h is exactly equal to h3/12. As this is the most obvious and simplest model for flow through a rock fracture, fluid flow through a rock fracture is said to follow the cubic law. But the walls of actual rock fractures are not smooth and parallel; rather, they have roughness at various scales, and are in contact at discrete asperities that correspond to local regions of zero aperture. The existence of spatially varying apertures raises the question of whether it is systematically possible to compute a priori a hydraulic aperture, such that the transmissivity is related to the hydraulic aperture by the cubic law. Another approach is to use some appropriate mean aperture (arithmetic, geometric, etc.), and account for the effect of aperture variability and contact area by suitable multiplicative factors. An important related issue is that, as a normal stress will reduce the aperture, but not in a uniform manner, all three factors (mean aperture, aperture variability and contact area) will influence the manner in which the transmissivity changes due to a normal stress. Although the cubic law holds for flow between parallel walls up to the laminar-turbulent transition that occurs at Reynolds numbers of about 2000, deviations from a linear relationship between pressure drop and flowrate in a rough-walled fracture occur at much lower Reynolds numbers, on the order of about 10, during laminar flow. Each of the issues outlined above were identified and studied in the 1980 paper ``Validity of Cubic Law for Fluid Flow in a Deformable Rock Fracture'', by P. A. Witherspoon, J. S. Y. Wang, K. Iwai, and J. E. Gale (Water Resources Research, vol. 16, pp. 1016-1024). In this talk, I will review the various advances that have been made during the past three decades to clarify these issues, with specific reference to the contributions of Paul Witherspoon and his colleagues

  16. The exchange interactions and the state of manganese atoms in the solid solutions in Bi{sub 3}NbO{sub 7} of cubic and tetragonal modifications

    SciTech Connect

    Chezhina, N.V.; Zhuk, N.A.; Korolev, D.A.

    2016-01-15

    The comparative analysis of magnetic behavior of manganese-containing solid solutions Bi{sub 3}Nb{sub 1−x}Mn{sub x}O{sub 7−δ} (x=0.01−0.10) of cubic and tetragonal modifications was performed. Based on the results of magnetic susceptibility studies paramagnetic manganese atoms in solid solutions of cubic and tetragonal modifications were found to be in the form of Mn(III), Mn(IV) monomers and exchange-coupled dimers of Mn(III)–O–Mn(III), Mn(IV)–O–Mn(IV), Mn(III)–O–Mn(IV). The exchange parameters and the distribution of monomers and dimers in solid solutions as a function of the content of paramagnetic atoms were calculated. - Graphical abstract: Structural transition of cubic to tetragonal Bi{sub 3}NbO{sub 7−δ}.

  17. Scaling study and thermodynamic properties of the cubic helimagnet FeGe

    NASA Astrophysics Data System (ADS)

    Wilhelm, H.; Leonov, A. O.; Rößler, U. K.; Burger, P.; Hardy, F.; Meingast, C.; Gruner, M. E.; Schnelle, W.; Schmidt, M.; Baenitz, M.

    2016-10-01

    The critical behavior of the cubic helimagnet FeGe was obtained from isothermal magnetization data in very close vicinity of the ordering temperature. A thorough and consistent scaling analysis of these data revealed the critical exponents β =0.368 ,γ =1.382 , and δ =4.787 . The anomaly in the specific heat associated with the magnetic ordering can be well described by the critical exponent α =-0.133 . The values of these exponents corroborate that the magnetic phase transition in FeGe belongs to the isotropic 3D-Heisenberg universality class. The specific heat data are well described by ab initio phonon calculations and confirm the localized character of the magnetic moments.

  18. Interfacial reaction between cubic boron nitride and Ti during active brazing

    NASA Astrophysics Data System (ADS)

    Ding, W. F.; Xu, J. H.; Fu, Y. C.; Xiao, B.; Su, H. H.; Xu, H. J.

    2006-06-01

    Thermodynamic and reaction process analyses were performed to understand the joining characteristic during high temperature brazing between cubic boron nitride (CBN) grit and a silver-base filler alloy containing Ti as an active element. Experimental information on the microstructure of the brazed joint, the composition of the interface, and the shape of the compounds formed on the surface of the grit was obtained by scanning electron microscopy, energy-dispersive x-ray, and x-ray diffraction. The results indicate that Ti in the molten filler alloy facilitated good wetting between the solid CBN crystals and braze filler alloy. The transition layer formed by the interaction of TiN and TiB2 was one of the key factors in joining the CBN and steel substrate.

  19. Isotope effect in the superconducting high-pressure simple cubic phase of calcium from first principles

    NASA Astrophysics Data System (ADS)

    Errea, Ion; Rousseau, Bruno; Bergara, Aitor

    2012-06-01

    It has been recently shown [I. Errea, B. Rousseau, and A. Bergara, Phys. Rev. Lett. 106, 165501 (2011)] that the phonons of the high-pressure simple cubic phase of calcium are stabilized by strong quantum anharmonic effects. This was obtained by a fully ab initio implementation of the self-consistent harmonic approximation including explicitly anharmonic coefficients up to fourth order. The renormalized anharmonic phonons make possible to estimate the superconducting transition temperature in this system, and a sharp agreement with experiments is found. In this work, this analysis is extended in order to study the effect of anharmonicity in the isotope effect. According to our calculations, despite the huge anharmonicity in the system, the isotope coefficient is predicted to be 0.45, close to the 0.5 value expected for a harmonic BCS superconductor.

  20. Proton disorder in cubic ice: Effect on the electronic and optical properties

    NASA Astrophysics Data System (ADS)

    Garbuio, Viviana; Cascella, Michele; Kupchak, Igor; Pulci, Olivia; Seitsonen, Ari Paavo

    2015-08-01

    The proton disorder in ice has a key role in several properties such as the growth mode, thermodynamical properties, and ferroelectricity. While structural phase transitions from proton disordered to proton ordered ices have been extensively studied, much less is known about their electronic and optical properties. Here, we present ab initio many body perturbation theory-based calculations of the electronic and optical properties of cubic ice at different levels of proton disorder. We compare our results with those from liquid water, that acts as an example of a fully (proton- and oxygen-)disordered system. We find that by increasing the proton disorder, a shrinking of the electronic gap occurs in ice, and it is smallest in the liquid water. Simultaneously, the excitonic binding energy decreases, so that the final optical gaps result to be almost independent on the degree of proton disorder. We explain these findings as an interplay between the local dipolar disorder and the electronic correlation.

  1. Proton disorder in cubic ice: Effect on the electronic and optical properties

    SciTech Connect

    Garbuio, Viviana; Pulci, Olivia; Cascella, Michele; Kupchak, Igor; Seitsonen, Ari Paavo

    2015-08-28

    The proton disorder in ice has a key role in several properties such as the growth mode, thermodynamical properties, and ferroelectricity. While structural phase transitions from proton disordered to proton ordered ices have been extensively studied, much less is known about their electronic and optical properties. Here, we present ab initio many body perturbation theory-based calculations of the electronic and optical properties of cubic ice at different levels of proton disorder. We compare our results with those from liquid water, that acts as an example of a fully (proton- and oxygen-)disordered system. We find that by increasing the proton disorder, a shrinking of the electronic gap occurs in ice, and it is smallest in the liquid water. Simultaneously, the excitonic binding energy decreases, so that the final optical gaps result to be almost independent on the degree of proton disorder. We explain these findings as an interplay between the local dipolar disorder and the electronic correlation.

  2. Body-centered cubic iron-nickel alloy in Earth's core.

    PubMed

    Dubrovinsky, L; Dubrovinskaia, N; Narygina, O; Kantor, I; Kuznetzov, A; Prakapenka, V B; Vitos, L; Johansson, B; Mikhaylushkin, A S; Simak, S I; Abrikosov, I A

    2007-06-29

    Cosmochemical, geochemical, and geophysical studies provide evidence that Earth's core contains iron with substantial (5 to 15%) amounts of nickel. The iron-nickel alloy Fe(0.9)Ni(0.1) has been studied in situ by means of angle-dispersive x-ray diffraction in internally heated diamond anvil cells (DACs), and its resistance has been measured as a function of pressure and temperature. At pressures above 225 gigapascals and temperatures over 3400 kelvin, Fe(0.9)Ni(0.1) adopts a body-centered cubic structure. Our experimental and theoretical results not only support the interpretation of shockwave data on pure iron as showing a solid-solid phase transition above about 200 gigapascals, but also suggest that iron alloys with geochemically reasonable compositions (that is, with substantial nickel, sulfur, or silicon content) adopt the bcc structure in Earth's inner core.

  3. Synthesis and anisotropic magnetic and transport properties of cubic SrCoO3 single crystal

    NASA Astrophysics Data System (ADS)

    Long, Youwen; Kaneko, Yoshio; Ishiwata, Shintaro; Taguchi, Yasujiro; Tokura, Yoshinori

    2011-03-01

    Solid state oxides containing transition metals with unusually high valence states exhibit interesting physical properties. However, due to the unstableness of these high valence states, high pressure is often needed to stabilize such high valence states. We were successful in growing a large-size SrCo O3 single crystal by using high-pressure technique. This material shows good metallic behavior with high ferromagnetic Curie temperature about 305 K, and the easy magnetization axis is 111 > direction . ThespinmomentofCo 4+ ionmeasuredat 2 Kand 7 Tisabout 2.50 μB , suggesting an spin configuration as predicted by theoretical calculations. Although SrCoO3 has a highly symmetric cubic crystal structure (Pm-3m), it exhibits significant anisotropic magnetoresistance at low temperatures.

  4. Integrated-fin gasket for palm cubic-anvil high pressure apparatus

    SciTech Connect

    Cheng, J.-G.; Matsubayashi, K.; Nagasaki, S.; Hisada, A.; Hirayama, T.; Uwatoko, Y.; Hedo, M.; Kagi, H.

    2014-09-15

    We described an integrated-fin gasket technique for the palm cubic-anvil apparatus specialized for the high-pressure and low-temperature measurements. By using such a gasket made from the semi-sintered MgO ceramics and the tungsten-carbide anvils of 2.5 mm square top, we successfully generate pressures over 16 GPa at both room and cryogenic temperatures down to 0.5 K. We observed a pressure self-increment for this specific configuration and further characterized the thermally induced pressure variation by monitoring the antiferromagnetic transition temperature of chromium up to 12 GPa. In addition to enlarge the pressure capacity, such a modified gasket also improves greatly the surviving rate of electrical leads hanging the sample inside a Teflon capsule filled with the liquid pressure-transmitting medium. These improvements should be attributed to the reduced extrusion of gasket materials during the initial compression.

  5. Interferometric determination of the topographies of absolute sphere radii using the sphere interferometer of PTB

    NASA Astrophysics Data System (ADS)

    Bartl, Guido; Krystek, Michael; Nicolaus, Arnold; Giardini, Walter

    2010-11-01

    This paper presents a method to reconstruct the absolute shape of a sphere—i.e. a topography of radii—using the sphere interferometer of PTB in combination with a stitching approach. The method allows for the reconstruction of absolute radii instead of the relative shape deviations which result from conventional sphericity measurements. The sphere interferometer was developed for the volume determination of spherical material measures—in particular the spheres of the Avogadro project—by precise diameter measurements with an uncertainty of 1 nm or less. In the scope of the present work a procedure has been implemented that extends the applicability of the interferometer to fields where not the volume or diameter but the direction-dependent radii are of interest. The results of the reconstruction were compared quantitatively to the independent results of sphericity measurements from CSIRO.

  6. Microscopic insight into properties and electronic instabilities of impurities in cubic and lower symmetry insulators: the influence of pressure.

    PubMed

    Moreno, M; Barriuso, M T; Aramburu, J A; García-Fernández, P; García-Lastra, J M

    2006-05-03

    This article reviews the microscopic origin of properties due to transition-metal (TM) impurities, M, in insulator materials. Particular attention is paid to the influence of pressure upon impurity properties. Basic concepts such as the electronic localization in an MX(N) complex, the electrostatic potential, V(R), arising from the rest of the lattice ions or the elastic coupling of the complex to the host lattice are initially exposed. The dependence of optical and magnetic parameters on the impurity-ligand distance, R, in cubic lattices is discussed in a first step. Emphasis is put on the actual origin of the R dependence of 10Dq. Examples revealing that laws for strict cubic symmetry cannot in general be transferred to lower symmetries are later given. This relevant fact is shown to come from allowed hybridizations like nd-(n+1)s as well as the influence of V(R). As a salient feature the different colour in ruby and emerald is stressed to arise from distinct V(R) potentials in Al(2)O(3) and Be(3)Si(6)Al(2)O(18). The last part of this review deals with electronic instabilities. The phenomena associated with the Jahn-Teller (JT) effect in cubic lattices, the origin of the energy barrier among equivalent minima and the existence of coherent tunnelling in systems like MgO:Cu(2+) are discussed. An increase of elastic coupling is pointed out to favour a transition from an elongated to a compressed equilibrium conformation. Interestingly the equilibrium geometry of JT ions in non-cubic lattices is shown to be controlled by mechanisms different to those in cubic systems, V(R) playing again a key role. The relevance of first principles calculations for clarifying the subtle mechanisms behind off-centre instabilities is also pointed out. Examples concern monovalent and divalent TM impurities in lattices with the CaF(2) structure. The instability due to the transition from the ground to an excited state is finally considered. For complexes with significant elastic coupling

  7. Cubic Spline Collocation Method for the Simulation of Turbulent Thermal Convection in Compressible Fluids

    SciTech Connect

    Castillo, Victor Manuel

    1999-01-01

    A collocation method using cubic splines is developed and applied to simulate steady and time-dependent, including turbulent, thermally convecting flows for two-dimensional compressible fluids. The state variables and the fluxes of the conserved quantities are approximated by cubic splines in both space direction. This method is shown to be numerically conservative and to have a local truncation error proportional to the fourth power of the grid spacing. A ''dual-staggered'' Cartesian grid, where energy and momentum are updated on one grid and mass density on the other, is used to discretize the flux form of the compressible Navier-Stokes equations. Each grid-line is staggered so that the fluxes, in each direction, are calculated at the grid midpoints. This numerical method is validated by simulating thermally convecting flows, from steady to turbulent, reproducing known results. Once validated, the method is used to investigate many aspects of thermal convection with high numerical accuracy. Simulations demonstrate that multiple steady solutions can coexist at the same Rayleigh number for compressible convection. As a system is driven further from equilibrium, a drop in the time-averaged dimensionless heat flux (and the dimensionless internal entropy production rate) occurs at the transition from laminar-periodic to chaotic flow. This observation is consistent with experiments of real convecting fluids. Near this transition, both harmonic and chaotic solutions may exist for the same Rayleigh number. The chaotic flow loses phase-space information at a greater rate, while the periodic flow transports heat (produces entropy) more effectively. A linear sum of the dimensionless forms of these rates connects the two flow morphologies over the entire range for which they coexist. For simulations of systems with higher Rayleigh numbers, a scaling relation exists relating the dimensionless heat flux to the two-seventh's power of the Rayleigh number, suggesting the

  8. Eggs and milk: Spinning spheres partially immersed in a liquid bath

    NASA Astrophysics Data System (ADS)

    Langley, Kenneth R.; Maynes, Daniel; Truscott, Tadd T.

    2015-03-01

    When a hard-boiled egg spins through a pool of milk on the kitchen counter, the milk rises up the sides of the egg and droplets are ejected. This phenomenon occurs when any partially submerged object whose radius increases upward from the fluid surface (e.g., spheres, inverted cones, and rings) spins in a liquid bath. The fluid ejects from the surface near the maximum radius in one of three ejection modes: jets, sheets, or sheet breakup. Additionally, a surprisingly large flow rate is induced by the spinning object. In this study, we used spheres to determine the effects of experimental parameters on the induced flow rate. We characterized the modes of ejection and measured the sheet breakup distance using high-speed imaging. The basis of our closed form analytical model utilizes an integral momentum boundary layer analysis both beneath the free surface and in the thin film attached to the sphere. We present criteria defining the transitions between ejection modes and the radius where liquid sheets break up in the sheet ejection regime. Criteria defining the transitions between ejection modes and the radius where liquid sheets break up in the sheet ejection regime shows good agreement with experiments.

  9. Atomic ordering in cubic bismuth telluride alloy phases at high pressure

    NASA Astrophysics Data System (ADS)

    Loa, I.; Bos, J.-W. G.; Downie, R. A.; Syassen, K.

    2016-06-01

    Pressure-induced transitions from ordered intermetallic phases to substitutional alloys to semi-ordered phases were studied in a series of bismuth tellurides. By using angle-dispersive x-ray diffraction, the compounds Bi4Te5 , BiTe, and Bi2Te were observed to form alloys with the disordered body-centered cubic (bcc) crystal structure upon compression to above 14-19 GPa at room temperature. The BiTe and Bi2Te alloys and the previously discovered high-pressure alloys of Bi2Te3 and Bi4Te3 were all found to show atomic ordering after gentle annealing at very moderate temperatures of ˜100 ∘C . Upon annealing, BiTe transforms from bcc to the B2 (CsCl) crystal-structure type, and the other phases adopt semi-disordered variants thereof, featuring substitutional disorder on one of the two crystallographic sites. The transition pressures and atomic volumes of the alloy phases show systematic variations across the BimTen series including the end members Bi and Te. First-principles calculations were performed to characterize the electronic structure and chemical bonding properties of B2-type BiTe and to identify the driving forces of the ordering transition. The calculated Fermi surface of B2-type BiTe has an intricate structure and is predicted to undergo three topological changes between 20 and 60 GPa.

  10. Formation of prismatic loops from C15 Laves phase interstitial clusters in body-centered cubic iron

    SciTech Connect

    Zhang, Yongfeng; Bai, Xian-Ming; Tonks, Michael R.; Biner, S. Bulent

    2015-03-01

    This Letter reports the transition of C15 phase self-interstitial clusters to loops in body-centered-cubic Iron. Molecular dynamics simulations are performed to evaluate the relative stabilities of difference interstitial cluster configurations including C15 phase structure and <100> and <111>/2 loops. Within a certain size range, C15 cluster are found more stable than loops, and the relative stabilities are reversed beyond that range. In accordance to the crossover in relative stabilities, C15 clusters may grow by absorbing individual interstitials at small sizes and transitions into loops eventually. The transition takes place by nucleation and reaction of <111>/2 loop segments. These observations explain the absence of C15 phase interstitial clusters predicted by density-functional-theory calculations in previous experimental observations. More importantly, the current results provide a new formation mechanism of <100> loops which requires no interaction of loops.

  11. Diagnosis of a Poorly Performing Liquid Hydrogen Bulk Storage Sphere

    NASA Technical Reports Server (NTRS)

    Krenn, Angela G.

    2011-01-01

    There are two 850,000 gallon Liquid Hydrogen (LH2) storage spheres used to support the Space Shuttle Program; one residing at Launch Pad A and the other at Launch Pad B. The LH2 Sphere at Pad B has had a high boiloff rate since being brought into service in the 1960's. The daily commodity loss was estimated to be approximately double that of the Pad A sphere, and well above the minimum required by the sphere's specification. Additionally, after being re-painted in the late 1990's a "cold spot" appeared on the outer sphere which resulted in a poor paint bond, and mold formation. Thermography was used to characterize the area, and the boiloff rate was continually evaluated. All evidence suggested that the high boiloff rate was caused by an excessive heat leak into the inner sphere due to an insulation void in the annulus. Pad B was recently taken out of Space Shuttle program service which provided a unique opportunity to diagnose the sphere's poor performance. The sphere was drained and inerted, and then opened from the annular relief device on the top where a series of boroscoping operations were accomplished. Boroscoping revealed a large Perlite insulation void in the region of the sphere where the cold spot was apparent. Perlite was then trucked in and off-loaded into the annular void region until the annulus was full. The sphere has not yet been brought back into service.

  12. Extreme values of the Poisson's ratio of cubic crystals

    NASA Astrophysics Data System (ADS)

    Epishin, A. I.; Lisovenko, D. S.

    2016-10-01

    The problem of determining the extrema of Poisson's ratio for cubic crystals is considered, and analytical expressions are derived to calculate its extreme values. It follows from the obtained solution that, apart from extreme values at standard orientations, extreme values of Poisson's ratio can also be detected at special orientations deviated from the standard ones. The derived analytical expressions are used to calculate the extreme values of Poisson's ratio for a large number of known cubic crystals. The extremely high values of Poisson's ratio are shown to be characteristic of metastable crystals, such as crystals with the shape memory effect caused by martensitic transformation. These crystals are mainly represented by metallic alloys. For some crystals, the absolute extrema of Poisson's ratio can exceed the standard values, which are-1 for a standard minimum and +2 for a standard maximum.

  13. Nonlinear optical imaging of defects in cubic silicon carbide epilayers.

    PubMed

    Hristu, Radu; Stanciu, Stefan G; Tranca, Denis E; Matei, Alecs; Stanciu, George A

    2014-06-11

    Silicon carbide is one of the most promising materials for power electronic devices capable of operating at extreme conditions. The widespread application of silicon carbide power devices is however limited by the presence of structural defects in silicon carbide epilayers. Our experiment demonstrates that optical second harmonic generation imaging represents a viable solution for characterizing structural defects such as stacking faults, dislocations and double positioning boundaries in cubic silicon carbide layers. X-ray diffraction and optical second harmonic rotational anisotropy were used to confirm the growth of the cubic polytype, atomic force microscopy was used to support the identification of silicon carbide defects based on their distinct shape, while second harmonic generation microscopy revealed the detailed structure of the defects. Our results show that this fast and noninvasive investigation method can identify defects which appear during the crystal growth and can be used to certify areas within the silicon carbide epilayer that have optimal quality.

  14. Cubic ideal ferromagnets at low temperature and weak magnetic field

    NASA Astrophysics Data System (ADS)

    Hofmann, Christoph P.

    2017-04-01

    The low-temperature series for the free energy density, pressure, magnetization and susceptibility of cubic ideal ferromagnets in weak external magnetic fields are discussed within the effective Lagrangian framework up to three loops. The structure of the simple, body-centered, and face-centered cubic lattice is taken into account explicitly. The expansion involves integer and half-integer powers of the temperature. The corresponding coefficients depend on the magnetic field and on low-energy effective constants that can be expressed in terms of microscopic quantities. Our formulas may also serve as efficiency or consistency check for other techniques like Green's function methods, where spurious terms in the low-temperature expansion have appeared. We explore the sign and magnitude of the spin-wave interaction in the pressure, magnetization and susceptibility, and emphasize that our effective field theory approach is fully systematic and rigorous.

  15. Infinite geometric frustration in a cubic dipole cluster

    NASA Astrophysics Data System (ADS)

    Schönke, Johannes; Schneider, Tobias M.; Rehberg, Ingo

    2015-01-01

    The geometric arrangement of interacting (magnetic) dipoles is a question of fundamental importance in physics, chemistry, and engineering. Motivated by recent progress concerning the self-assembly of magnetic structures, the equilibrium orientation of eight interacting dipoles in a cubic cluster is investigated in detail. Instead of discrete equilibria we find a type of ground state consisting of infinitely many orientations. This continuum of energetically degenerate states represents a yet unknown form of magnetic frustration. The corresponding dipole rotations in the flat potential valley of this Goldstone mode enable the construction of frictionless magnetic couplings. Using computer-assisted algebraic geometry methods, we moreover completely enumerate all equilibrium configurations. The seemingly simple cubic system allows for exactly 9536 unstable discrete equilibria falling into 183 distinct energy families.

  16. Data reduction using cubic rational B-splines

    NASA Technical Reports Server (NTRS)

    Chou, Jin J.; Piegl, Les A.

    1992-01-01

    A geometric method is proposed for fitting rational cubic B-spline curves to data that represent smooth curves including intersection or silhouette lines. The algorithm is based on the convex hull and the variation diminishing properties of Bezier/B-spline curves. The algorithm has the following structure: it tries to fit one Bezier segment to the entire data set and if it is impossible it subdivides the data set and reconsiders the subset. After accepting the subset the algorithm tries to find the longest run of points within a tolerance and then approximates this set with a Bezier cubic segment. The algorithm uses this procedure repeatedly to the rest of the data points until all points are fitted. It is concluded that the algorithm delivers fitting curves which approximate the data with high accuracy even in cases with large tolerances.

  17. Circular dichroism in biological photonic crystals and cubic chiral nets.

    PubMed

    Saba, M; Thiel, M; Turner, M D; Hyde, S T; Gu, M; Grosse-Brauckmann, K; Neshev, D N; Mecke, K; Schröder-Turk, G E

    2011-03-11

    Nature provides impressive examples of chiral photonic crystals, with the notable example of the cubic so-called srs network (the label for the chiral degree-three network modeled on SrSi2) or gyroid structure realized in wing scales of several butterfly species. By a circular polarization analysis of the band structure of such networks, we demonstrate strong circular dichroism effects: The butterfly srs microstructure, of cubic I4(1)32 symmetry, shows significant circular dichroism for blue to ultraviolet light, that warrants a search for biological receptors sensitive to circular polarization. A derived synthetic structure based on four like-handed silicon srs nets exhibits a large circular polarization stop band of a width exceeding 30%. These findings offer design principles for chiral photonic devices.

  18. Hermite cubic spline multi-wavelets on the cube

    NASA Astrophysics Data System (ADS)

    Cvejnová, Daniela; Černá, Dana; Finěk, Václav

    2015-11-01

    In 2000, W. Dahmen et al. proposed a construction of Hermite cubic spline multi-wavelets adapted to the interval [0, 1]. Later, several more simple constructions of wavelet bases based on Hermite cubic splines were proposed. We focus here on wavelet basis with respect to which both the mass and stiffness matrices are sparse in the sense that the number of non-zero elements in each column is bounded by a constant. Then, a matrix-vector multiplication in adaptive wavelet methods can be performed exactly with linear complexity for any second order differential equation with constant coefficients. In this contribution, we shortly review these constructions, use an anisotropic tensor product to obtain bases on the cube [0, 1]3, and compare their condition numbers.

  19. Alpha decay self-damage in cubic and monoclinic zirconolite

    SciTech Connect

    Clinard, F.W. Jr.; Land, C.C.; Peterson, D.E.; Rohr, D.L.; Roof, R.B.

    1981-01-01

    Samples of primarily-monoclinic /sup 238/Pu-doped zirconolite were stored at ambient temperature to allow accumulation of alpha decay self-damage to a dose of 1 x 10/sup 24/ ..cap alpha../m/sup 3/ (equivalent to a SYNROC age of approx. 10/sup 3/y). Bulk swelling reached 2.3 vol% with no tendency toward saturation, a damage response similar to that observed for cubic Pu-doped zirconolite. X-ray volumetric swelling at 4 x 10/sup 24/ ..cap alpha../m/sup 3/ was 1 vol%, considerably less than that for the cubic material. Changes in cell dimensions differed significantly from those reported by others for a monoclinic natural mineral. Extensive microcracking was observed, and is attributed at least partially to swelling differences between the matrix and minor phases.

  20. Zinc coordination spheres in protein structures.

    PubMed

    Laitaoja, Mikko; Valjakka, Jarkko; Jänis, Janne

    2013-10-07

    Zinc metalloproteins are one of the most abundant and structurally diverse proteins in nature. In these proteins, the Zn(II) ion possesses a multifunctional role as it stabilizes the fold of small zinc fingers, catalyzes essential reactions in enzymes of all six classes, or assists in the formation of biological oligomers. Previously, a number of database surveys have been conducted on zinc proteins to gain broader insights into their rich coordination chemistry. However, many of these surveys suffer from severe flaws and misinterpretations or are otherwise limited. To provide a more comprehensive, up-to-date picture on zinc coordination environments in proteins, zinc containing protein structures deposited in the Protein Data Bank (PDB) were analyzed in detail. A statistical analysis in terms of zinc coordinating amino acids, metal-to-ligand bond lengths, coordination number, and structural classification was performed, revealing coordination spheres from classical tetrahedral cysteine/histidine binding sites to more complex binuclear sites with carboxylated lysine residues. According to the results, coordination spheres of hundreds of crystal structures in the PDB could be misinterpreted due to symmetry-related molecules or missing electron densities for ligands. The analysis also revealed increasing average metal-to-ligand bond length as a function of crystallographic resolution, which should be taken into account when interrogating metal ion binding sites. Moreover, one-third of the zinc ions present in crystal structures are artifacts, merely aiding crystal formation and packing with no biological significance. Our analysis provides solid evidence that a minimal stable zinc coordination sphere is made up by four ligands and adopts a tetrahedral coordination geometry.

  1. Homothetic motion in radiating and dissipative spheres

    NASA Astrophysics Data System (ADS)

    Barreto, W.; Castillo, L.

    1995-10-01

    A method used to study the evolution of radiating dissipative fluid spheres is applied to the case in which the space-time admits a homothetic motion. We obtain a system of equations at the surface of the distribution which is integrated numerically. Considering that the shear viscosity induces anisotropy, we obtain a model derived from the static solution by Herrera, Jiménez, Leal, Esculpi, Ponce de León, and Galina [J. Math. Phys. 25, 3274 (1984)] for homothetic fluids but which includes dynamic variables. Therefore, the profiles of the physical variables at the surface are calculated and discussed in the light of one astrophysical scenario.

  2. Fermions, Skyrmions and the 3-sphere

    NASA Astrophysics Data System (ADS)

    Goatham, Stephen W.; Krusch, Steffen

    2010-01-01

    This paper investigates a background charge one Skyrme field chirally coupled to light fermions on the 3-sphere. The Dirac equation for the system commutes with a generalized angular momentum or grand spin. It can be solved explicitly for a Skyrme configuration given by the hedgehog form. The energy spectrum and degeneracies are derived for all values of the grand spin. Solutions for non-zero grand spin are each characterized by a set of four polynomials. The paper also discusses the energy of the Dirac sea using zeta-function regularization.

  3. Sphere impact and penetration into wet sand.

    PubMed

    Marston, J O; Vakarelski, I U; Thoroddsen, S T

    2012-08-01

    We present experimental results for the penetration of a solid sphere when released onto wet sand. We show, by measuring the final penetration depth, that the cohesion induced by the water can result in either a deeper or shallower penetration for a given release height compared to dry granular material. Thus the presence of water can either lubricate or stiffen the granular material. By assuming the shear rate is proportional to the impact velocity and using the depth-averaged stopping force in calculating the shear stress, we derive effective viscosities for the wet granular materials.

  4. Sphere impact and penetration into wet sand

    NASA Astrophysics Data System (ADS)

    Marston, J. O.; Vakarelski, I. U.; Thoroddsen, S. T.

    2012-08-01

    We present experimental results for the penetration of a solid sphere when released onto wet sand. We show, by measuring the final penetration depth, that the cohesion induced by the water can result in either a deeper or shallower penetration for a given release height compared to dry granular material. Thus the presence of water can either lubricate or stiffen the granular material. By assuming the shear rate is proportional to the impact velocity and using the depth-averaged stopping force in calculating the shear stress, we derive effective viscosities for the wet granular materials.

  5. Soft Sphere Suspensions: Flow and Relaxation

    NASA Astrophysics Data System (ADS)

    Workamp, Marcel; Dijksman, Joshua A.

    We experimentally study the role of particle elasticity on the rheology of soft sphere suspensions. Experiments consist of custom designed particles with tuneable stiffness. These particles allow us to probe the role of elastic timescales, relaxation and anisotropy in a custom 3D printed shear cell. We find robust rheological features, such as a flow instability, that are not well captured by existing models for suspension flows. In addition, we find relaxation effects after shear even in the absence of shear or thermal fluctuations. We aim to integrate these findings in the emerging unified framework for structured fluids.

  6. Further Investigations of NIST Water Sphere Discrepancies

    SciTech Connect

    Broadhead, B.L.

    2001-01-11

    Measurements have been performed on a family of water spheres at the National Institute of Standards and Technology (NIST) facilities. These measurements are important for criticality safety studies in that, frequently, difficulties have arisen in predicting the reactivity of individually subcritical components assembled in a critical array. It has been postulated that errors in the neutron leakage from individual elements in the array could be responsible for these problems. In these NIST measurements, an accurate determination of the leakage from a fission spectrum, modified by water scattering, is available. Previously, results for 3-, 4-, and 5-in. diam. water-filled spheres, both with and without cadmium covers over the fission chambers, were presented for four fissionable materials: {sup 235}U, {sup 238}U, {sup 237}Np, and {sup 239}Pu. Results were also given for ''dry'' systems, in which the water spheres were drained of water, with the results corresponding to essentially measurements of unmoderated {sup 252}Cf spontaneous-fission neutrons. The calculated-to-experimental (C/E) values ranged from 0.94 to 1.01 for the dry systems and 0.93 to 1.05 for the wet systems, with experimental uncertainties ranging from 1.5 to 1.9%. These results indicated discrepancies that were clearly outside of the experimental uncertainties, and further investigation was suggested. This work updates the previous calculations with a comparison of the predicted C/E values with ENDF/B-V and ENDF/B-VI transport cross sections. Variations in the predicted C/E values that arise from the use of ENDF/B-V, ENDF/B-VI, ENDL92, and LLLDOS for the response fission cross sections are also tabulated. The use of both a 45-group NIST fission spectrum and a continuous-energy fission spectrum for {sup 252}Cf are evaluated. The use of the generalized-linear-least-squares (GLLSM) procedures to investigate the reported discrepancies in the water sphere results for {sup 235}U, {sup 238}U, {sup 239}Pu

  7. Second virial coefficients of dipolar hard spheres.

    PubMed

    Philipse, Albert P; Kuipers, Bonny W M

    2010-08-18

    An asymptotic formula is reported for the second virial coefficient B(2) of a dipolar hard-sphere (DHS) fluid, in zero external field, for strongly coupled dipolar interactions. This simple formula, together with the one for the weak-coupling B(2), provides an accurate prediction of the second virial coefficient for a wide range of dipole moments, including those that are experimentally accessible in magnetite ferrofluids. The weak-coupling B(2) also yields an estimate of the magnetic moment minimally needed for isotropic gas-liquid phase-separation, if any, in the DHS fluid.

  8. The Finite Deformation Dynamic Sphere Test Problem

    SciTech Connect

    Versino, Daniele; Brock, Jerry Steven

    2016-09-02

    In this manuscript we describe test cases for the dynamic sphere problem in presence of finite deformations. The spherical shell in exam is made of a homogeneous, isotropic or transverse isotropic material and elastic and elastic-plastic material behaviors are considered. Twenty cases, (a) to (t), are thus defined combining material types and boundary conditions. The inner surface radius, the outer surface radius and the material's density are kept constant for all the considered test cases and their values are ri = 10mm, ro = 20mm and p = 1000Kg/m3 respectively.

  9. Primary mass calibration of silicon spheres

    NASA Astrophysics Data System (ADS)

    Picard, A.

    2006-10-01

    One of the routes to a redefinition of the kilogram requires a new determination of the Avogadro constant at a high level of accuracy. Laboratories must achieve mass comparison between a 1 kg 28Si sphere and 1 kg Pt/Ir mass standards to a combined standard uncertainty of 4 µg. The BIPM has developed a method of achieving this target. The goal of this paper is to report the advances at the BIPM and to describe our new method for linking weighings in air and in vacuum. The results obtained by classical comparisons in air are compared to those obtained by the new BIPM method. .

  10. Multiscale Modeling of Point and Line Defects in Cubic Lattices

    DTIC Science & Technology

    2007-01-01

    and discli- nations with finite micropolar elastoplasticity . Int. J. Plasticity. 22:210–256, 2006. 56. Menzel, A., and Steinmann, P., On the contin...Voyiadjis, G. Z., A finite strain plastic- damage model for high velocity impact using combined viscosity and gradient localization limiters: Part I...Theoretical for- mulation. Int. J. Damage Mech. 15:293–334, 2006. 58. Milstein, F., and Chantasiriwan, S,. Theoretical study of the response of 12 cubic

  11. Quadratic and Cubic Nonlinear Oscillators with Damping and Their Applications

    NASA Astrophysics Data System (ADS)

    Li, Jibin; Feng, Zhaosheng

    We apply the qualitative theory of dynamical systems to study exact solutions and the dynamics of quadratic and cubic nonlinear oscillators with damping. Under certain parametric conditions, we also consider the van der Waals normal form, Chaffee-Infante equation, compound Burgers-KdV equation and Burgers-KdV equation for explicit representations of kink-profile wave solutions and unbounded traveling wave solutions.

  12. Cubic lattice nanosheets: thickness-driven light emission.

    PubMed

    Golberg, Dmitri; Zhang, Chao; Xu, Zhi

    2014-07-22

    Silicon has a diamond-like cubic crystal lattice for which two-dimensional (2D) nanometer thickness nanosheet crystallization appears not to be trivial. However, in this issue of ACS Nano, the group led by Heon-Jin Choi demonstrates the gas-phase dendritic growth of Si nanosheets, only 1 to 13 nm thick. Moreover, such nanosheets display strong thickness-dependent photoluminescence in a visible range with red, green, and blue emission each documented.

  13. A resurgence analysis for cubic and quartic anharmonic potentials

    NASA Astrophysics Data System (ADS)

    Gahramanov, Ilmar; Tezgin, Kemal

    2017-02-01

    In this work, we explicitly show resurgence relations between perturbative and one instanton sectors of the resonance energy levels for cubic and quartic anharmonic potentials in one-dimensional quantum mechanics. Both systems satisfy the Dunne-Ünsal relation and hence we are able to derive one-instanton nonperturbative contributions with the fluctuation terms to the energy merely from the perturbative data. We confirm our results with previous results obtained in the literature.

  14. Distribution coefficients of rare earth ions in cubic zirconium dioxide

    NASA Astrophysics Data System (ADS)

    Romer, H.; Luther, K.-D.; Assmus, W.

    1994-08-01

    Cubic zirconium dioxide crystals are grown with the skull melting technique. The effective distribution coefficients for Nd(exp 3+), Sm(exp 3+) and Er(sup 3+) as dopants are determined experimentally as a function of the crystal growth velocity. With the Burton-Prim-Slichter theory, the equilibrium distribution coefficients can be calculated. The distribution coefficients of all other trivalent rare earth ions can be estimated by applying the correlation towards the ionic radii.

  15. Higher-order numerical solutions using cubic splines

    NASA Technical Reports Server (NTRS)

    Rubin, S. G.; Khosla, P. K.

    1976-01-01

    A cubic spline collocation procedure was developed for the numerical solution of partial differential equations. This spline procedure is reformulated so that the accuracy of the second-derivative approximation is improved and parallels that previously obtained for lower derivative terms. The final result is a numerical procedure having overall third-order accuracy of a nonuniform mesh. Solutions using both spline procedures, as well as three-point finite difference methods, are presented for several model problems.

  16. Neutron diffraction study of the atomic structure of cubic sodium-tungsten bronze (Na{sub 0.69}WO{sub 3}) single crystal

    SciTech Connect

    Isakov, I. V. Kalyukanov, A. I.; Volkov, V. L.; Ozerov, R. P.; Fykin, L. E.

    2011-05-15

    The atomic structure of a single crystal of one of four Na{sub 0.69}WO{sub 3} phases, which exist below 293 K, has been refined from neutron diffraction data (WWR-c reactor at the Karpov Institute of Physical Chemistry, Obninsk Branch; {lambda} = 1.168 Angstrom-Sign ; {lambda}/2 contribution < 0.8%; sin{theta}/{lambda} {<=} 0.810; T = 288 K; crystal sphere Empty-Set = 4.4 mm; cubic unit cell with a = 7.672 Angstrom-Sign , sp. gr. Im3, z = 8, {mu} = 1.9 mm{sup -1}). The Na{sub 0.69}WO{sub 3} atomic structure has been refined (198 independent reflections) taking into account the anisotropy of thermal vibrations (R{sub w} = 4.0%). The stoichiometric coefficient Na(0.69) is also refined. A structural distortion is revealed, which is characterized by the displacement of oxygen atoms (0, 0.2609(2), 0.2391(2)) from the ideal perovskite positions (0, 1/4, 1/4); this displacement doubles the ideal perovskite lattice period. The oxygen displacements can be described as rotations of oxygen octahedra by 3.58 Degree-Sign around the [111] direction. The structure remains cubic because the octahedra rotations with respect to all three perovskite cubic axes are identical.

  17. Packing of nonoverlapping cubic particles: Computational algorithms and microstructural characteristics

    NASA Astrophysics Data System (ADS)

    Malmir, Hessam; Sahimi, Muhammad; Tabar, M. Reza Rahimi

    2016-12-01

    Packing of cubic particles arises in a variety of problems, ranging from biological materials to colloids and the fabrication of new types of porous materials with controlled morphology. The properties of such packings may also be relevant to problems involving suspensions of cubic zeolites, precipitation of salt crystals during CO2 sequestration in rock, and intrusion of fresh water in aquifers by saline water. Not much is known, however, about the structure and statistical descriptors of such packings. We present a detailed simulation and microstructural characterization of packings of nonoverlapping monodisperse cubic particles, following up on our preliminary results [H. Malmir et al., Sci. Rep. 6, 35024 (2016), 10.1038/srep35024]. A modification of the random sequential addition (RSA) algorithm has been developed to generate such packings, and a variety of microstructural descriptors, including the radial distribution function, the face-normal correlation function, two-point probability and cluster functions, the lineal-path function, the pore-size distribution function, and surface-surface and surface-void correlation functions, have been computed, along with the specific surface and mean chord length of the packings. The results indicate the existence of both spatial and orientational long-range order as the the packing density increases. The maximum packing fraction achievable with the RSA method is about 0.57, which represents the limit for a structure similar to liquid crystals.

  18. Lattice dynamics of cubic PbTiO3

    NASA Astrophysics Data System (ADS)

    Tomeno, Izumi; Fernandez-Baca, Jaime A.; Marty, Karol J.; Tsunoda, Yorihiko; Oka, Kunihiko

    2012-02-01

    The lattice dynamics of cubic PbTiO3 has been investigated using inelastic neutron scattering. We found four kinds of soft modes in cubic PbTiO3: (1) the TO modes toward the γ point, (2) the TA λ3 mode toward the R point, (3) the TA λ3 mode around the midpoint (1/4,1/4,1/4), and (4) the TA branches in the entire range. Moreover, the TO σ4 branch becomes flat away from the zone center. The steep dispersion of the TO modes toward γ is isotropic and confined to the region ξ<0.2. The temperature dependence of the γ15 mode up to 1173 K is explained by a combination of the Lydanne-Sachs-Taller relation and the Curie-Weiss law. In contrast, the TA λ3 modes at the midpoint and R point are weakly temperature dependent. The coexistence of the soft γ15 and R25 modes is in agreement with the predicted phonon instability. The midpoint softening suggests the tendency toward forming a fourfold periodicity along the [1,1,1] direction. The energy of the TO δ5 branch for cubic PbTiO3 is considerably higher than that for Pb(Zn1/3Nb2/3)O3. This indicates that the TO modes are dominated by the B-site atom motion.

  19. Dry Powder Precursors of Cubic Liquid Crystalline Nanoparticles (cubosomes)

    NASA Astrophysics Data System (ADS)

    Spicer, Patrick T.; Small, William B.; Small, William B.; Lynch, Matthew L.; Burns, Janet L.

    2002-08-01

    Cubosomes are dispersed nanostructured particles of cubic phase liquid crystal that have stimulated significant research interest because of their potential for application in controlled-release and drug delivery. Despite the interest, cubosomes can be difficult to fabricate and stabilize with current methods. Most of the current work is limited to liquid phase processes involving high shear dispersion of bulk cubic liquid crystalline material into sub-micron particles, limiting application flexibility. In this work, two types of dry powder cubosome precursors are produced by spray-drying: (1) starch-encapsulated monoolein is produced by spray-drying a dispersion of cubic liquid crystalline particles in an aqueous starch solution and (2) dextran-encapsulated monoolein is produced by spray-drying an emulsion formed by the ethanol-dextran-monoolein-water system. The encapsulants are used to decrease powder cohesion during drying and to act as a soluble colloidal stabilizer upon hydration of the powders. Both powders are shown to form (on average) 0.6 μm colloidally-stable cubosomes upon addition to water. However, the starch powders have a broader particle size distribution than the dextran powders because of the relative ease of spraying emulsions versus dispersions. The developed processes enable the production of nanostructured cubosomes by end-users rather than just specialized researchers and allow tailoring of the surface state of the cubosomes for broader application.

  20. Physics of Hard Spheres Experiment (PhaSE) or "Making Jello in Space"

    NASA Technical Reports Server (NTRS)

    Ling, Jerri S.; Doherty, Michael P.

    1998-01-01

    The Physics of Hard Spheres Experiment (PHaSE) is a highly successful experiment that flew aboard two shuttle missions to study the transitions involved in the formation of jellolike colloidal crystals in a microgravity environment. A colloidal suspension, or colloid, consists of fine particles, often having complex interactions, suspended in a liquid. Paint, ink, and milk are examples of colloids found in everyday life. In low Earth orbit, the effective force of gravity is thousands of times less than at the Earth's surface. This provides researchers a way to conduct experiments that cannot be adequately performed in an Earth-gravity environment. In microgravity, colloidal particles freely interact without the complications of settling that occur in normal gravity on Earth. If the particle interactions within these colloidal suspensions could be predicted and accurately modeled, they could provide the key to understanding fundamental problems in condensed matter physics and could help make possible the development of wonderful new "designer" materials. Industries that make semiconductors, electro-optics, ceramics, and composites are just a few that may benefit from this knowledge. Atomic interactions determine the physical properties (e.g., weight, color, and hardness) of ordinary matter. PHaSE uses colloidal suspensions of microscopic solid plastic spheres to model the behavior of atomic interactions. When uniformly sized hard spheres suspended in a fluid reach a certain concentration (volume fraction), the particle-fluid mixture changes from a disordered fluid state, in which the spheres are randomly organized, to an ordered "crystalline" state, in which they are structured periodically. The thermal energy of the spheres causes them to form ordered arrays, analogous to crystals. Seven of the eight PHaSE samples ranged in volume fraction from 0.483 to 0.624 to cover the range of interest, while one sample, having a concentration of 0.019, was included for

  1. Communication: Virial coefficients and demixing in highly asymmetric binary additive hard-sphere mixtures.

    PubMed

    López de Haro, Mariano; Tejero, Carlos F; Santos, Andrés

    2013-04-28

    The problem of demixing in a binary fluid mixture of highly asymmetric additive hard spheres is revisited. A comparison is presented between the results derived previously using truncated virial expansions for three finite size ratios with those that one obtains with the same approach in the extreme case in which one of the components consists of point particles. Since this latter system is known not to exhibit fluid-fluid segregation, the similarity observed for the behavior of the critical constants arising in the truncated series in all instances, while not being conclusive, may cast serious doubts as to the actual existence of a demixing fluid-fluid transition in disparate-sized binary additive hard-sphere mixtures.

  2. Movements of a Sphere Moving Over Smooth and Rough Inclines

    NASA Astrophysics Data System (ADS)

    Jan, Chyan-Deng

    1992-01-01

    The steady movements of a sphere over a rough incline in air, and over smooth and rough inclines in a liquid were studied theoretically and experimentally. The principle of energy conservation was used to analyze the translation velocities, rolling resistances, and drag coefficients of a sphere moving over the inclines. The rolling resistance to the movement of a sphere from the rough incline was presumed to be caused by collisions and frictional slidings. A varnished wooden board was placed on the bottom of an experimental tilting flume to form a smooth incline and a layer of spheres identical to the sphere moving over them was placed on the smooth wooden board to form a rough incline. Spheres used in the experiments were glass spheres, steel spheres, and golf balls. Experiments show that a sphere moving over a rough incline with negligible fluid drag in air can reach a constant translation velocity. This constant velocity was found to be proportional to the bed inclination (between 11 ^circ and 21^circ) and the square root of the sphere's diameter, but seemingly independent of the sphere's specific gravity. Two empirical coefficients in the theoretical expression of the sphere's translation velocity were determined by experiments. The collision and friction parts of the shear stress exerted on the interface between the moving sphere and rough incline were determined. The ratio of collision to friction parts appears to increase with increase in the bed inclination. These two parts seem to be of the same order of magnitude. The rolling resistances and the relations between the drag coefficient and Reynolds number for a sphere moving over smooth and rough inclines in a liquid, such as water or salad oil, were determined by a regression analysis based on experimental data. It was found that the drag coefficient for a sphere over the rough incline is larger than that for a sphere over the smooth incline, and both of which are much larger than that for a sphere in free

  3. A theoretical study of the stability of anionic defects in cubic ZrO2 at extreme conditions

    DOE PAGES

    Samanta, Amit

    2016-02-19

    Using first principles density functional theory calculations, we present a study of the structure, mobility, and the thermodynamic stability of anionic defects in the high-temperature cubic phase of ZrO2. Our results suggest that the local structure of an oxygen interstitial depends on the charge state and the cubic symmetry of the anionic sublattice is unstable at 0 K. In addition, the oxygen interstitials and the vacancies exhibit symmetry breaking transitions to low-energy structures with tetragonal distortion of the oxygen sublattice at 0 K. However, the vibrational entropy stabilizes the defect structures with cubic symmetry at 2600–2980 K. The formation freemore » energies of the anionic defects and Gibbs free energy changes associated with different defect reactions are calculated by including the vibrational free energy contributions and the effect of pressure on these defect structures. By analyzing the defect chemistry, we obtain the defect concentrations at finite temperature and pressure conditions using the zero temperature ab initio results as input and find that at low oxygen partial pressures, neutral oxygen vacancies are most dominant and at high oxygen partial pressures, doubly charged anionic defects are dominant. As a result, the relevance of the results to the thermal protective coating capabilities of zirconium-based ceramic composites is elucidated.« less

  4. A theoretical study of the stability of anionic defects in cubic ZrO2 at extreme conditions

    SciTech Connect

    Samanta, Amit

    2016-02-19

    Using first principles density functional theory calculations, we present a study of the structure, mobility, and the thermodynamic stability of anionic defects in the high-temperature cubic phase of ZrO2. Our results suggest that the local structure of an oxygen interstitial depends on the charge state and the cubic symmetry of the anionic sublattice is unstable at 0 K. In addition, the oxygen interstitials and the vacancies exhibit symmetry breaking transitions to low-energy structures with tetragonal distortion of the oxygen sublattice at 0 K. However, the vibrational entropy stabilizes the defect structures with cubic symmetry at 2600–2980 K. The formation free energies of the anionic defects and Gibbs free energy changes associated with different defect reactions are calculated by including the vibrational free energy contributions and the effect of pressure on these defect structures. By analyzing the defect chemistry, we obtain the defect concentrations at finite temperature and pressure conditions using the zero temperature ab initio results as input and find that at low oxygen partial pressures, neutral oxygen vacancies are most dominant and at high oxygen partial pressures, doubly charged anionic defects are dominant. As a result, the relevance of the results to the thermal protective coating capabilities of zirconium-based ceramic composites is elucidated.

  5. Geometric aspects of shear jamming induced by deformation of frictionless sphere packings

    NASA Astrophysics Data System (ADS)

    Vinutha, H. A.; Sastry, Srikanth

    2016-09-01

    It has recently been demonstrated that shear deformation of frictionless sphere packings leads to structures that will undergo jamming in the presence of friction, at densities well below the isotropic jamming point {φj}≈ 0.64 , and at high enough strains. Here, we show that the geometric features induced by strain are robust with respect to finite size effects, and include the feature of hyperuniformity, previously studied in the context of jamming, and more recently in driven systems. We study the approach to jamming as strain is increased, by evolving frictionless sheared configurations through frictional dynamics, and thereby identify a critical, or jamming, strain for each density, for a chosen value of the coefficient of friction. In the presence of friction above a certain strain value the sheared frictionless packings begin to develop finite stresses, which marks the onset of shear jamming. At a higher strain value, the shear stress reaches a saturation value after rising rapidly above the onset of shear jamming, which permits identification of the shear jamming transition. The onset of shear jamming and shear jamming are found to occur when the coordination number Z reaches values of Z  =  3 and Z  =  4 respectively. By considering percolation probabilities for the contact network, clusters of four coordinated and six coordinated spheres, we show that the percolation of four coordinated spheres corresponds to the onset of shear jamming behaviour, whereas the percolation of six coordinated spheres corresponds to shear jamming, for the chosen friction coefficients. At the onset of shear jamming, the force distribution begins to develop a peak at finite value and the force network is anisotropic and heterogeneous. And at the shear jamming transition, the force distribution has a well defined peak close to < f> and the force network is less anisotropic and homogeneous. We briefly discuss mechanical aspects of the jamming behaviour by

  6. An evaluation of temperature profiles from falling sphere soundings

    NASA Technical Reports Server (NTRS)

    Quiroz, R. S.; Gelman, M. E.

    1976-01-01

    An evaluation of 30 pairs of high-altitude inflatable falling spheres and independent thermistor soundings with a mean rocket-launch-time separation of 27 min shows average temperature differences within 6 C at 32-70 km, except for an average difference of 10 C at 68 km near Mach 1 in the sphere descent curve. The mean difference is exhibited as a negative bias (sphere temperature colder) for which various explanations are considered. The rms temperature differences are greatest near 50 km (7 C) and 68 km (11 C). From 70 to approximately 87.5 km, confidence in the reliability of the sphere temperature soundings is based on the 'repeatability' of pairs of sphere soundings taken within 20 min, temperature differences generally being less than 10 C. Illustrations of large atmospheric variations measured by the sphere soundings are given along with verification from independent measurements.

  7. Photoelastic gelatin spheres for investigation of locomotion in granular media

    NASA Astrophysics Data System (ADS)

    Mirbagheri, Seyed Amir; Ceniceros, Ericson; Jabbarzadeh, Mehdi; McCormick, Zephyr; Fu, Henry

    2014-11-01

    We describe a force measurement method in granular media which uses highly-sensitive photoelastic gelatin spheres and its application to measuring forces exerted as animals burrow through granular media. The method is applicable to both freshwater and marine organisms. We fabricate sensitively photoelastic gelatin spheres and describe a calibration method which relates forces applied to gelatin spheres with photoelastic signal. We show that photoelastic gelatin spheres can detect forces as small as 1 microNewton, and quantitatively measure forces with up to 60 microNewton precision, a two order of magnitude improvement compared to methods using plastic disks. Gelatin spheres can be fabricated with a range of sizes to investigate a variety of granular media. Finally, we used the calibrated gelatin spheres in a proof-of-principle experiment to measure forces during earthworm locomotion.

  8. Anisotropy effects in magnetic hyperthermia: A comparison between spherical and cubic exchange-coupled FeO/Fe{sub 3}O{sub 4} nanoparticles

    SciTech Connect

    Khurshid, H. E-mail: sharihar@usf.edu; Nemati, Z.; Phan, M. H.; Mukherjee, P.; Srikanth, H. E-mail: sharihar@usf.edu; Alonso, J.; Fdez-Gubieda, M. L.; Barandiarán, J. M.

    2015-05-07

    Spherical and cubic exchange-coupled FeO/Fe{sub 3}O{sub 4} nanoparticles, with different FeO:Fe{sub 3}O{sub 4} ratios, have been prepared by a thermal decomposition method to probe anisotropy effects on their heating efficiency. X-ray diffraction and transmission electron microscopy reveal that the nanoparticles are composed of FeO and Fe{sub 3}O{sub 4} phases, with an average size of ∼20 nm. Magnetometry and transverse susceptibility measurements show that the effective anisotropy field is 1.5 times larger for the cubes than for the spheres, while the saturation magnetization is 1.5 times larger for the spheres than for the cubes. Hyperthermia experiments evidence higher values of the specific absorption rate (SAR) for the cubes as compared to the spheres (200 vs. 135 W/g at 600 Oe and 310 kHz). These observations point to an important fact that the saturation magnetization is not a sole factor in determining the SAR and the heating efficiency of the magnetic nanoparticles can be improved by tuning their effective anisotropy.

  9. Characterizing HR 3549 B using SPHERE

    NASA Astrophysics Data System (ADS)

    Mesa, D.; Vigan, A.; D'Orazi, V.; Ginski, C.; Desidera, S.; Bonnefoy, M.; Gratton, R.; Langlois, M.; Marzari, F.; Messina, S.; Antichi, J.; Biller, B.; Bonavita, M.; Cascone, E.; Chauvin, G.; Claudi, R. U.; Curtis, I.; Fantinel, D.; Feldt, M.; Garufi, A.; Galicher, R.; Henning, Th.; Incorvaia, S.; Lagrange, A.-M.; Millward, M.; Perrot, C.; Salasnich, B.; Scuderi, S.; Sissa, E.; Wahhaj, Z.; Zurlo, A.

    2016-10-01

    Aims: In this work, we characterize the low-mass companion of the A0 field star HR 3549. Methods: We observed HR 3549B in imaging mode with the near-infrared branch (IFS and IRDIS) of SPHERE at the VLT, with IFS in YJ mode and IRDIS in the H band. We also acquired a medium-resolution spectrum with the IRDIS long-slit spectroscopy mode. The data were reduced using the dedicated SPHERE GTO pipeline, which is custom-designed for this instrument. We employed algorithms such as PCA and TLOCI to reduce the speckle noise. Results: The companion was clearly visible with both IRDIS and IFS. We obtained photometry in four different bands and also the astrometric position for the companion. Based on our astrometry, we confirm that it is a bound object and set constraints on its orbit. Although several uncertainties still remain, we estimate an age of ~100-150 Myr for this system, yielding a most probable mass for the companion of 40-50 MJup and Teff ~ 2300-2400 K. Compared with template spectra, this points to a spectral type between M9 and L0 for the companion, commensurate with its position on the color-magnitude diagram.

  10. The hydrodynamics of an oscillating porous sphere

    NASA Astrophysics Data System (ADS)

    Looker, Jason R.; Carnie, Steven L.

    2004-01-01

    We determine the hydrodynamics of a rigid, weakly permeable sphere undergoing translational oscillations in an incompressible Newtonian fluid. We check using homogenization and scaling arguments that the flow inside the sphere may be modeled by Darcy's law and that the Beavers-Joseph-Saffman (BJS) boundary condition still applies for oscillatory flows, provided the frequency of oscillation is not too high. The BJS boundary condition introduces a slip velocity and to leading order in ɛ=√k /a, where k is the particle permeability and a is the radius, the particle may be regarded as impermeable with a slip length independent of frequency. Under these circumstances we solve for the flow field, pressure distribution and drag explicitly and show their behavior for 0⩽ɛ⩽0.05 and frequencies relevant to electroacoustics (1-10 MHz). From the drag we find the leading order corrections due to particle permeability of the pseudo-steady drag, Basset force and added mass.

  11. Synthesis and Characterization of Ru Cubic Nanocages with a Face-Centered Cubic Structure by Templating with Pd Nanocubes.

    PubMed

    Zhao, Ming; Figueroa-Cosme, Legna; Elnabawy, Ahmed O; Vara, Madeline; Yang, Xuan; Roling, Luke T; Chi, Miaofang; Mavrikakis, Manos; Xia, Younan

    2016-08-10

    Nanocages have received considerable attention in recent years for catalytic applications owing to their high utilization efficiency of atoms and well-defined facets. Here we report, for the first time, the synthesis of Ru cubic nanocages with ultrathin walls, in which the atoms are crystallized in a face-centered cubic (fcc) rather than hexagonal close-packed (hcp) structure. The key to the success of this synthesis is to ensure layer-by-layer deposition of Ru atoms on the surface of Pd cubic seeds by controlling the reaction temperature and the injection rate of a Ru(III) precursor. By selectively etching away the Pd from the Pd@Ru core-shell nanocubes, we obtain Ru nanocages with an average wall thickness of 1.1 nm or about six atomic layers. Most importantly, the Ru nanocages adopt an fcc crystal structure rather than the hcp structure observed in bulk Ru. The synthesis has been successfully applied to Pd cubic seeds with different edge lengths in the range of 6-18 nm, with smaller seeds being more favorable for the formation of Ru shells with a flat, smooth surface due to shorter distance for the surface diffusion of the Ru adatoms. Self-consistent density functional theory calculations indicate that these unique fcc-structured Ru nanocages might possess promising catalytic properties for ammonia synthesis compared to hcp Ru(0001), on the basis of strengthened binding of atomic N and substantially reduced activation energies for N2 dissociation, which is the rate-determining step for ammonia synthesis on hcp Ru catalysts.

  12. Characteristics of first order shock induced magnetic transitions in iron and discrimination from TRM

    NASA Technical Reports Server (NTRS)

    Wasilewski, P.

    1977-01-01

    Reflected light microscopy provides information on first-order shock transitions in iron and iron-nickel and permits discrimination of microstructures due to shock transitions from those imparted by thermal transitions. In addition, thin-foil electron microscopy is used to characterize magnetic transitions in fine-particle iron. First-order magnetic phase changes, such as that from the antiferromagnetic face centered cubic state to the ferromagnetic body centered cubic state, are studied with the aim of calibrating the shock and thermal mechanisms of magnetization in iron with a particle size range between 250 and 1200 A. The efficiency of remanence due to shock transition is also estimated.

  13. Isotropic vector fields on spheres, spinor structures on spheres and projective spaces

    NASA Astrophysics Data System (ADS)

    Crumeyrolle, A.

    1989-08-01

    In a previous paper "Fields of totally isotropic subspaces and almost complex structures" [1c], we constructed on the sphere S4, in the complexified tangent bundle, a global field of totally isotropic planes to obtain a counterexample nullifying a statement about some manifolds and vector bundles; we proved that if the complexified tangent bundle T c( M) of a 2 r-dimensional C∞ manifold M is a Withney sum T c(M) = η ⊕ η' , where η, η' are r-complex subbundles such that for any x belonging to M, η' x = ηmacr;x, M does not have necessarily an almost complex structure. This article has two aims. First, we construct on any sphere global fields of isotropic vectors, nowhere zero, cross-sections of the complexified tangent bundle. We give for n ≥ 3 two independent methods, one with continuous hypothesis only, the second method with smooth conditions, valid for any dimension n ≥ 2. Our developments bring a new proof of the statement given in [1c] and a more precise and new result: the C∞ complexified tangent bundle of any sphere is trivializable. Our second aim is to give an elementary approach to the existence conditions for spinor structures on spheres and projective spaces, using naturally our methods developed in numerous papers, particularly in [1d] and [1e]. However, the major part of the paper deals with the isotropic vector field problem on spheres and the reader unfamilar with spinors will be able to read the Secs. I, II and III, except some details at the end. We think that this paper will contribute to explaining some delicate questions and remove some errors or sophisms and also point out the role of the elementary geometry in spinor structures for particularly simple cases.

  14. Polymeric spheres on substrates from a spin-coating process.

    PubMed

    Liu, Ying-Ling; Chen, Shi-Yi; Wang, Ko-Shung

    2009-02-01

    Formation of polymeric spheres in nanometer to sub-micrometer is achieved through a spin-coating process with polyamide (from 4,4(')-(hexafluoroisopropylidene)dianiline and 4,4(')-dicarboxydiphenylether) solutions in N,N-dimethylformamide and N,N-dimethylacetamide. The formation of polymeric spheres and their sizes are dependent on the polymer solution concentrations and the rates in spin-coating. The polymeric spheres could be obtained on various substrates including silicon, mica, and glass.

  15. Extensive nuclear sphere generation in the human Alzheimer's brain.

    PubMed

    Kolbe, Katharina; Bukhari, Hassan; Loosse, Christina; Leonhardt, Gregor; Glotzbach, Annika; Pawlas, Magdalena; Hess, Katharina; Theiss, Carsten; Müller, Thorsten

    2016-12-01

    Nuclear spheres are protein aggregates consisting of FE65, TIP60, BLM, and other yet unknown proteins. Generation of these structures in the cellular nucleus is putatively modulated by the amyloid precursor protein (APP), either by its cleavage or its phosphorylation. Nuclear spheres were preferentially studied in cell culture models and their existence in the human brain had not been known. Existence of nuclear spheres in the human brain was studied using immunohistochemistry. Cell culture experiments were used to study regulative mechanisms of nuclear sphere generation. The comparison of human frontal cortex brain samples from Alzheimer's disease (AD) patients to age-matched controls revealed a dramatically and highly significant enrichment of nuclear spheres in the AD brain. Costaining demonstrated that neurons are distinctly affected by nuclear spheres, but astrocytes never are. Nuclear spheres were predominantly found in neurons that were negative for threonine 668 residue in APP phosphorylation. Cell culture experiments revealed that JNK3-mediated APP phosphorylation reduces the amount of sphere-positive cells. The study suggests that nuclear spheres are a new APP-derived central hallmark of AD, which might be of crucial relevance for the molecular mechanisms in neurodegeneration.

  16. Meteoroid ablation spheres from deep-sea sediments

    NASA Technical Reports Server (NTRS)

    Blanchard, M. B.; Brownlee, D. E.; Bunch, T. E.; Hodge, P. W.; Kyte, F. T.

    1980-01-01

    The paper deals with an examination of spheres that are magnetically extracted from mid-Pacific abyssal clays that are up to half a million years old. The spheres are divided into three groups using their dominant mineralogy - namely, iron, glassy, and silicate. Most spheres were formed from particles that completely melted as they separated from their parent meteoroids during the ablation process. It is concluded that the mineralogy and composition of the deep-sea spheres are identical in many respects to the meteorite fusion crusts, laboratory-created ablation debris, and the ablated interplanetary dust particles in the stratospheric collection.

  17. Method and apparatus for producing small hollow spheres

    DOEpatents

    Hendricks, Charles D.

    1979-01-01

    Method and apparatus for producing small hollow spheres of glass, metal or plastic, wherein the sphere material is mixed with or contains as part of the composition a blowing agent which decomposes at high temperature (T.gtoreq.600.degree. C.). As the temperature is quickly raised, the blowing agent decomposes and the resulting gas expands from within, thus forming a hollow sphere of controllable thickness. The thus produced hollow spheres (20 to 10.sup.3 .mu.m) have a variety of application, and are particularly useful in the fabrication of targets for laser implosion such as neutron sources, laser fusion physics studies, and laser initiated fusion power plants.

  18. Oil capture from a water surface by a falling sphere

    NASA Astrophysics Data System (ADS)

    Smolka, Linda; McLaughlin, Clare; Witelski, Thomas

    2015-11-01

    When a spherical particle is dropped from rest into an oil lens that floats on top of a water surface, a portion of the oil adheres to the sphere. Once the sphere comes to rest at the subsurface, the oil forms a pendant drop that remains attached in equilibrium to the sphere effectively removing oil from the water surface. Best fit solutions of the Laplace equation to experimental profiles are used to investigate the parameter dependence of the radius of curvature and the filling and contact angles at the three-phase contact line of the pendant drop for spheres with different wetting properties, densities and radii. The volume of oil captured by a sphere increases with a sphere's mass and diameter. However, lighter and smaller spheres capture more oil relative to their own volume than do heavier and larger spheres (scaling with the sphere mass ~M - 0 . 544) and are thus more efficient at removing oil from a water surface. The authors wish to acknowledge the support of the National Science Foundation Grant Nos. DMS-0707755 and DMS-0968252.

  19. Diffusion of spheres in crowded suspensions of rods

    NASA Astrophysics Data System (ADS)

    Kang, Kyongok; Gapinski, J.; Lettinga, M. P.; Buitenhuis, J.; Meier, G.; Ratajczyk, M.; Dhont, Jan K. G.; Patkowski, A.

    2005-01-01

    Translational tracer diffusion of spherical macromolecules in crowded suspensions of rodlike colloids is investigated. Experiments are done using several kinds of spherical tracers in fd-virus suspensions. A wide range of size ratios L/2a of the length L of the rods and the diameter 2a of the tracer sphere is covered by combining several experimental methods: fluorescence correlation spectroscopy for small tracer spheres, dynamic light scattering for intermediate sized spheres, and video microscopy for large spheres. Fluorescence correlation spectroscopy is shown to measure long-time diffusion only for relatively small tracer spheres. Scaling of diffusion coefficients with a/ξ, predicted for static networks, is not found for our dynamical network of rods (with ξ the mesh size of the network). Self-diffusion of tracer spheres in the dynamical network of freely suspended rods is thus fundamentally different as compared to cross-linked networks. A theory is developed for the rod-concentration dependence of the translational diffusion coefficient at low rod concentrations for freely suspended rods. The proposed theory is based on a variational solution of the appropriate Smoluchowski equation without hydrodynamic interactions. The theory can, in principle, be further developed to describe diffusion through dynamical networks at higher rod concentrations with the inclusion of hydrodynamic interactions. Quantitative agreement with the experiments is found for large tracer spheres, and qualitative agreement for smaller spheres. This is probably due to the increasing importance of hydrodynamic interactions as compared to direct interactions as the size of the tracer sphere decreases.

  20. Porous Sphere in Stratified Environments: Entrainment and Diffusion

    NASA Astrophysics Data System (ADS)

    Camassa, Roberto; Falcon, Claudia; Khatri, Shilpa; McLaughlin, Richard; UNC Joint Fluids Lab Team

    2014-11-01

    A theoretical, experimental, and numerical study of porous spheres falling in stratified fluids will be presented. The systematic justification of asymptotic regimes resulting in asymptotic models with ``heat bath'' boundary conditions for salinity are derived in low Reynolds number regimes. Violation of these asymptotic scalings will be discussed in the context of experiments and mathematical modeling. In particular the presence of a salt depletion or enrichment wake left behind by the settling, ab/de-sorbing sphere, and its competition with entrainment, will be presented and highlighted. Experimental results with microporous spheres as well calibrated manufactured drilled spheres will be compared. Supported by: NSF CMG, NSF RTG, ONR.