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Sample records for additive hard spheres

  1. Density functional for ternary non-additive hard sphere mixtures.

    PubMed

    Schmidt, Matthias

    2011-10-19

    Based on fundamental measure theory, a Helmholtz free energy density functional for three-component mixtures of hard spheres with general, non-additive interaction distances is constructed. The functional constitutes a generalization of the previously given theory for binary non-additive mixtures. The diagrammatic structure of the spatial integrals in both functionals is of star-like (or tree-like) topology. The ternary diagrams possess a higher degree of complexity than the binary diagrams. Results for partial pair correlation functions, obtained via the Ornstein-Zernike route from the second functional derivatives of the excess free energy functional, agree well with Monte Carlo simulation data. PMID:21946780

  2. 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. PMID:23635104

  3. Hard sphere packings within cylinders.

    PubMed

    Fu, Lin; Steinhardt, William; Zhao, Hao; Socolar, Joshua E S; Charbonneau, Patrick

    2016-02-23

    Arrangements of identical hard spheres confined to a cylinder with hard walls have been used to model experimental systems, such as fullerenes in nanotubes and colloidal wire assembly. Finding the densest configurations, called close packings, of hard spheres of diameter σ in a cylinder of diameter D is a purely geometric problem that grows increasingly complex as D/σ increases, and little is thus known about the regime for D > 2.873σ. In this work, we extend the identification of close packings up to D = 4.00σ by adapting Torquato-Jiao's adaptive-shrinking-cell formulation and sequential-linear-programming (SLP) technique. We identify 17 new structures, almost all of them chiral. Beyond D ≈ 2.85σ, most of the structures consist of an outer shell and an inner core that compete for being close packed. In some cases, the shell adopts its own maximum density configuration, and the stacking of core spheres within it is quasiperiodic. In other cases, an interplay between the two components is observed, which may result in simple periodic structures. In yet other cases, the very distinction between the core and shell vanishes, resulting in more exotic packing geometries, including some that are three-dimensional extensions of structures obtained from packing hard disks in a circle. PMID:26843132

  4. Geometrical characterization of hard-sphere systems.

    PubMed

    Richard, P; Oger, L; Troadec, J P; Gervois, A

    1999-10-01

    By using molecular dynamics simulations on a large number of hard spheres and the Voronoï tessellation we characterize hard-sphere systems geometrically at any packing fraction eta along the different branches of the phase diagram. Crystallization of disordered packings occurs only for a small range of packing fraction. For the other packing fractions the system behaves as either a fluid (stable or metastable) or a glass. We have studied the evolution of the statistics of the Voronoï tessellation during crystallization and characterized the apparition of order by an order parameter (Q(6)) built from spherical harmonics. PMID:11970312

  5. Prediction of binary hard-sphere crystal structures.

    PubMed

    Filion, Laura; Dijkstra, Marjolein

    2009-04-01

    We present a method based on a combination of a genetic algorithm and Monte Carlo simulations to predict close-packed crystal structures in hard-core systems. We employ this method to predict the binary crystal structures in a mixture of large and small hard spheres with various stoichiometries and diameter ratios between 0.4 and 0.84. In addition to known binary hard-sphere crystal structures similar to NaCl and AlB2, we predict additional crystal structures with the symmetry of CrB, gammaCuTi, alphaIrV, HgBr2, AuTe2, Ag2Se, and various structures for which an atomic analog was not found. In order to determine the crystal structures at infinite pressures, we calculate the maximum packing density as a function of size ratio for the crystal structures predicted by our GA using a simulated annealing approach. PMID:19518387

  6. Aging dynamics of colloidal hard sphere glasses.

    PubMed

    Martinez, V A; Bryant, G; van Megen, W

    2010-09-21

    We report the results of dynamic light scattering measurements of the coherent intermediate scattering function (ISF) of glasses of colloidal hard spheres for several volume fractions and a range of scattering vectors around the primary peak of the static structure factor. The ISF shows a clear crossover from an initial fast decay to a slower nonstationary decay. Aging is quantified in several different ways. However, regardless of the method chosen, the perfect "aged" glass is approached in a power law fashion. In particular the coupling between the fast and slow decays, as measured by the degree of stretching of the ISF at the crossover, also decreases algebraically with waiting time. The nonstationarity of this coupling implies that even the fastest detectable processes are themselves nonstationary. PMID:20866156

  7. The phase behavior of linear and partially flexible hard-sphere chain fluids and the solubility of hard spheres in hard-sphere chain fluids

    NASA Astrophysics Data System (ADS)

    Oyarzún, Bernardo; van Westen, Thijs; Vlugt, Thijs J. H.

    2013-05-01

    The liquid crystal phase behavior of linear and partially flexible hard-sphere chain fluids and the solubility of hard spheres in hard-sphere chain fluids are studied by constant pressure Monte Carlo simulations. An extensive study on the phase behavior of linear fluids with a length of 7, 8, 9, 10, 11, 12, 13, 14, 15, and 20 beads is carried out. The phase behavior of partially flexible fluids with a total length of 8, 10, 14, and 15 beads and with different lengths for the linear part is also determined. A precise description of the reduced pressure and of the packing fraction change at the isotropic-nematic coexistence was achieved by performing long simulation runs. For linear fluids, a maximum in the isotropic to nematic packing fraction change is observed for a chain length of 15 beads. The infinite dilution solubility of hard spheres in linear and partially flexible hard-sphere chain fluids is calculated by the Widom test-particle insertion method. To identify the effect of chain connectivity and molecular anisotropy on free volume, solubility is expressed relative to that of hard spheres in a hard sphere fluid at same packing fraction as relative Henry's law constants. A linear relationship between relative Henry's law constants and packing fraction is observed for all linear fluids. Furthermore, this linearity is independent of liquid crystal ordering and seems to be independent of chain length for linear chains of 10 beads and longer. The same linear relationship was observed for the solubility of hard spheres in nematic forming partially flexible fluids for packing fractions up to a value slightly higher than the nematic packing fraction at the isotropic-nematic coexistence. At higher packing fractions, the small flexibility of these fluids seems to improve solubility in comparison with the linear fluids.

  8. Non-hard sphere thermodynamic perturbation theory

    NASA Astrophysics Data System (ADS)

    Zhou, Shiqi

    2011-08-01

    A non-hard sphere (HS) perturbation scheme, recently advanced by the present author, is elaborated for several technical matters, which are key mathematical details for implementation of the non-HS perturbation scheme in a coupling parameter expansion (CPE) thermodynamic perturbation framework. NVT-Monte Carlo simulation is carried out for a generalized Lennard-Jones (LJ) 2n-n potential to obtain routine thermodynamic quantities such as excess internal energy, pressure, excess chemical potential, excess Helmholtz free energy, and excess constant volume heat capacity. Then, these new simulation data, and available simulation data in literatures about a hard core attractive Yukawa fluid and a Sutherland fluid, are used to test the non-HS CPE 3rd-order thermodynamic perturbation theory (TPT) and give a comparison between the non-HS CPE 3rd-order TPT and other theoretical approaches. It is indicated that the non-HS CPE 3rd-order TPT is superior to other traditional TPT such as van der Waals/HS (vdW/HS), perturbation theory 2 (PT2)/HS, and vdW/Yukawa (vdW/Y) theory or analytical equation of state such as mean spherical approximation (MSA)-equation of state and is at least comparable to several currently the most accurate Ornstein-Zernike integral equation theories. It is discovered that three technical issues, i.e., opening up new bridge function approximation for the reference potential, choosing proper reference potential, and/or using proper thermodynamic route for calculation of fex - ref, chiefly decide the quality of the non-HS CPE TPT. Considering that the non-HS perturbation scheme applies for a wide variety of model fluids, and its implementation in the CPE thermodynamic perturbation framework is amenable to high-order truncation, the non-HS CPE 3rd-order or higher order TPT will be more promising once the above-mentioned three technological advances are established.

  9. 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.

  10. Segregation of Fluidized Binary Hard-Sphere Systems Under Gravity

    NASA Astrophysics Data System (ADS)

    Kim, Soon-Chul

    We have derived an analytic expression for the contact value of the local density of binary hard-sphere systems under gravity. We have obtained the crossover conditions for the Brazil-nut type segregation of binary hard-sphere mixtures and binary hard-sphere chain mixtures from the segregation criterion, where the segregation occurs when the density (or the pressure) of the small spheres at the bottom is higher than that of the large spheres, or vice versa. For the binary hard-sphere chain mixtures, the crossover condition for the segregation depends on the number of monomers composed of hard-sphere chains as well as the mass and the diameter of each species. The fundamental-measure theories (FMTs) and local density approximation (LDA) are employed to examine the crossover condition for the segregation of the gravity-induced hard-sphere mixtures. The calculated results show that the LDA does not explain the density oscillation near the bottom, whereas the modified fundamental-measure theory (MFMT) compares with molecular dynamics simulations.

  11. 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.

  12. Demixing in binary mixtures of apolar and dipolar hard spheres

    NASA Astrophysics Data System (ADS)

    Almarza, N. G.; Lomba, E.; Martín, C.; Gallardo, A.

    2008-12-01

    We study the demixing transition of mixtures of equal size hard spheres and dipolar hard spheres using computer simulation and integral equation theories. Calculations are carried out at constant pressure, and it is found that there is a strong correlation between the total density and the composition. The critical temperature and the critical total density are found to increase with pressure. The critical mole fraction of the dipolar component on the contrary decreases as pressure is augmented. These qualitative trends are reproduced by the theoretical approaches that on the other hand overestimate by far the value of the critical temperature. Interestingly, the critical parameters for the liquid-vapor equilibrium extrapolated from the mixture results in the limit of vanishing neutral hard sphere concentration agree rather well with recent estimates based on the extrapolation of charged hard dumbbell phase equilibria when dumbbell elongation shrinks to zero [G. Ganzenmüller and P. J. Camp, J. Chem. Phys. 126, 191104 (2007)].

  13. Computational polymer physics: Hard-sphere chain in solvent systems

    NASA Astrophysics Data System (ADS)

    Gautam, Avinash; Gavazzi, Daniel; Taylor, Mark

    2009-10-01

    In this work we present results for chain conformation in two simple chain-in-solvent systems constructed from hard-sphere monomers of diameter D. The first system consists of a flexible chain of fused hard spheres (i.e., bond length L=D) in a monomeric hard-sphere solvent. The second system consists of a flexible tangent hard-sphere chain (L=D) in a dimeric hard-sphere solvent with L=D. These systems are studied using Monte Carlo simulations which employ both single-site crankshaft and multi-site pivot moves to sample the configuration space of the chain. We report chain structure, in terms of site-site probability functions, as a function of solvent density. In all cases, increasing solvent density leads to an overall compression of the chain. At high solvent density the chain conformation is closely coupled to the local solvent structure and we speculate that incommensurate structures may lead to interesting conformational transitions.

  14. Uniform shear flow in dissipative gases: computer simulations of inelastic hard spheres and frictional elastic hard spheres.

    PubMed

    Astillero, Antonio; Santos, Andrés

    2005-09-01

    In the preceding paper, we have conjectured that the main transport properties of a dilute gas of inelastic hard spheres (IHSs) can be satisfactorily captured by an equivalent gas of elastic hard spheres (EHSs), provided that the latter are under the action of an effective drag force and their collision rate is reduced by a factor (1+alpha)/2 (where alpha is the constant coefficient of normal restitution). In this paper we test the above expectation in a paradigmatic nonequilibrium state, namely, the simple or uniform shear flow, by performing Monte Carlo computer simulations of the Boltzmann equation for both classes of dissipative gases with a dissipation range 0.5 < or = alpha < or = 0.95 and two values of the imposed shear rate a. It is observed that the evolution toward the steady state proceeds in two stages: a short kinetic stage (strongly dependent on the initial preparation of the system) followed by a slower hydrodynamic regime that becomes increasingly less dependent on the initial state. Once conveniently scaled, the intrinsic quantities in the hydrodynamic regime depend on time, at a given value of alpha, only through the reduced shear rate a*(t) is proportional to a/square root(T(t)), until a steady state, independent of the imposed shear rate and of the initial preparation, is reached. The distortion of the steady-state velocity distribution from the local equilibrium state is measured by the shear stress, the normal stress differences, the cooling rate, the fourth and sixth cumulants, and the shape of the distribution itself. In particular, the simulation results seem to be consistent with an exponential overpopulation of the high-velocity tail. These properties are common to both the IHS and EHS systems. In addition, the EHS results are in general hardly distinguishable from the IHS ones if alpha approximately > 0.7, so that the distinct signature of the IHS gas (higher anisotropy and overpopulation) only manifests itself at relatively high

  15. Glass transition of dense fluids of hard and compressible spheres.

    PubMed

    Berthier, Ludovic; Witten, Thomas A

    2009-08-01

    We use computer simulations to study the glass transition of dense fluids made of polydisperse repulsive spheres. For hard particles, we vary the volume fraction, phi , and use compressible particles to explore finite temperatures, T>0 . In the hard sphere limit, our dynamic data show evidence of an avoided mode-coupling singularity near phi(MCT) is approximately 0.592; they are consistent with a divergence of equilibrium relaxation times occurring at phi(0) is approximately 0.635, but they leave open the existence of a finite temperature singularity for compressible spheres at volume fraction phi>phi(0). Using direct measurements and a scaling procedure, we estimate the equilibrium equation of state for the hard sphere metastable fluid up to phi(0), where pressure remains finite, suggesting that phi(0) corresponds to an ideal glass transition. We use nonequilibrium protocols to explore glassy states above phi(0) and establish the existence of multiple equations of state for the unequilibrated glass of hard spheres, all diverging at different densities in the range phi in [0.642, 0.664]. Glassiness thus results in the existence of a continuum of densities where jamming transitions can occur. PMID:19792128

  16. Rowlinson’s concept of an effective hard sphere diameter

    PubMed Central

    Henderson, Douglas

    2010-01-01

    Attention is drawn to John Rowlinson’s idea that the repulsive portion of the intermolecular interaction may be replaced by a temperature-dependent hard sphere diameter. It is this approximation that made the development of perturbation theory possible for realistic fluids whose intermolecular interactions have a steep, but finite, repulsion at short separations. PMID:20953320

  17. Probing the evolution and morphology of hard carbon spheres

    SciTech Connect

    Pol, Vilas G.; Wen, Jianguo; Lau, Kah Chun; Callear, Samantha; Bowron, Daniel T.; Lin, Chi-Kai; Deshmukh, Sanket A.; Sankaranarayanan, Subramanian; Curtiss, Larry A.; David, William; Miller, Dean J.; Thackeray, Michael M.

    2014-03-01

    Monodispersed hard carbon spheres can be synthesized quickly and reproducibly by autogenic reactions of hydrocarbon precursors, notably polyethylene (including plastic waste), at high temperature and pressure. The carbon microparticles formed by this reaction have a unique spherical architecture, with a dominant internal nanometer layered motif, and they exhibit diamond-like hardness and electrochemical properties similar to graphite. In the present study, in-situ monitoring by X-ray diffraction along with electron microscopy, Raman spectroscopy, neutron pair-distribution function analysis, and computational modeling has been used to elucidate the morphology and evolution of the carbon spheres that form from the autogenic reaction of polyethylene at high temperature and pressure. A mechanism is proposed on how polyethylene evolves from a linear chain-based material to a layered carbon motif. Heating the spheres to 2400-2800 °C under inert conditions increases their graphitic character, particularly at the surface, which enhances their electrochemical and tribological properties.

  18. 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. PMID:22158949

  19. Transport properties of highly asymmetric hard-sphere mixtures.

    PubMed

    Bannerman, Marcus N; Lue, Leo

    2009-04-28

    The static and dynamic properties of binary mixtures of hard spheres with a diameter ratio of sigma(B)/sigma(A)=0.1 and a mass ratio of m(B)/m(A)=0.001 are investigated using event driven molecular dynamics. The contact values of the pair correlation functions are found to compare favorably with recently proposed theoretical expressions. The transport coefficients of the mixture, determined from simulation, are compared to the predictions of the revised Enskog theory using both a third-order Sonine expansion and direct simulation Monte Carlo. Overall, the Enskog theory provides a fairly good description of the simulation data, with the exception of systems at the smallest mole fraction of larger spheres (x(A)=0.01) examined. A "fines effect" was observed at higher packing fractions, where adding smaller spheres to a system of large spheres decreases the viscosity of the mixture; this effect is not captured by the Enskog theory. PMID:19405594

  20. Transport properties of highly asymmetric hard-sphere mixtures

    NASA Astrophysics Data System (ADS)

    Bannerman, Marcus N.; Lue, Leo

    2009-04-01

    The static and dynamic properties of binary mixtures of hard spheres with a diameter ratio of σB/σA=0.1 and a mass ratio of mB/mA=0.001 are investigated using event driven molecular dynamics. The contact values of the pair correlation functions are found to compare favorably with recently proposed theoretical expressions. The transport coefficients of the mixture, determined from simulation, are compared to the predictions of the revised Enskog theory using both a third-order Sonine expansion and direct simulation Monte Carlo. Overall, the Enskog theory provides a fairly good description of the simulation data, with the exception of systems at the smallest mole fraction of larger spheres (xA=0.01) examined. A "fines effect" was observed at higher packing fractions, where adding smaller spheres to a system of large spheres decreases the viscosity of the mixture; this effect is not captured by the Enskog theory.

  1. Phase diagram of dipolar hard and soft spheres: manipulation of colloidal crystal structures by an external field.

    PubMed

    Hynninen, Antti-Pekka; Dijkstra, Marjolein

    2005-04-01

    Phase diagrams of hard and soft spheres with a fixed dipole moment are determined by calculating the Helmholtz free energy using simulations. The pair potential is given by a dipole-dipole interaction plus a hard-core and a repulsive Yukawa potential for soft spheres. Our system models colloids in an external electric or magnetic field, with hard spheres corresponding to uncharged and soft spheres to charged colloids. The phase diagram of dipolar hard spheres shows fluid, face-centered-cubic (fcc), hexagonal-close-packed (hcp), and body-centered-tetragonal (bct) phases. The phase diagram of dipolar soft spheres exhibits, in addition to the above mentioned phases, a body-centered-orthorhombic (bco) phase, and it agrees well with the experimental phase diagram [Nature (London) 421, 513 (2003)]. Our results show that bulk hcp, bct, and bco crystals can be realized experimentally by applying an external field. PMID:15904046

  2. Beyond packing of hard spheres: The effects of core softness, non-additivity, intermediate-range repulsion, and many-body interactions on the glass-forming ability of bulk metallic glasses

    SciTech Connect

    Zhang, Kai; Fan, Meng; Liu, Yanhui; Schroers, Jan; Shattuck, Mark D.; O’Hern, Corey S.

    2015-11-14

    When a liquid is cooled well below its melting temperature at a rate that exceeds the critical cooling rate R{sub c}, the crystalline state is bypassed and a metastable, amorphous glassy state forms instead. R{sub c} (or the corresponding critical casting thickness d{sub c}) characterizes the glass-forming ability (GFA) of each material. While silica is an excellent glass-former with small R{sub c} < 10{sup −2} K/s, pure metals and most alloys are typically poor glass-formers with large R{sub c} > 10{sup 10} K/s. Only in the past thirty years have bulk metallic glasses (BMGs) been identified with R{sub c} approaching that for silica. Recent simulations have shown that simple, hard-sphere models are able to identify the atomic size ratio and number fraction regime where BMGs exist with critical cooling rates more than 13 orders of magnitude smaller than those for pure metals. However, there are a number of other features of interatomic potentials beyond hard-core interactions. How do these other features affect the glass-forming ability of BMGs? In this manuscript, we perform molecular dynamics simulations to determine how variations in the softness and non-additivity of the repulsive core and form of the interatomic pair potential at intermediate distances affect the GFA of binary alloys. These variations in the interatomic pair potential allow us to introduce geometric frustration and change the crystal phases that compete with glass formation. We also investigate the effect of tuning the strength of the many-body interactions from zero to the full embedded atom model on the GFA for pure metals. We then employ the full embedded atom model for binary BMGs and show that hard-core interactions play the dominant role in setting the GFA of alloys, while other features of the interatomic potential only change the GFA by one to two orders of magnitude. Despite their perturbative effect, understanding the detailed form of the intermetallic potential is important for

  3. Beyond packing of hard spheres: The effects of core softness, non-additivity, intermediate-range repulsion, and many-body interactions on the glass-forming ability of bulk metallic glasses

    NASA Astrophysics Data System (ADS)

    Zhang, Kai; Fan, Meng; Liu, Yanhui; Schroers, Jan; Shattuck, Mark D.; O'Hern, Corey S.

    2015-11-01

    When a liquid is cooled well below its melting temperature at a rate that exceeds the critical cooling rate Rc, the crystalline state is bypassed and a metastable, amorphous glassy state forms instead. Rc (or the corresponding critical casting thickness dc) characterizes the glass-forming ability (GFA) of each material. While silica is an excellent glass-former with small Rc < 10-2 K/s, pure metals and most alloys are typically poor glass-formers with large Rc > 1010 K/s. Only in the past thirty years have bulk metallic glasses (BMGs) been identified with Rc approaching that for silica. Recent simulations have shown that simple, hard-sphere models are able to identify the atomic size ratio and number fraction regime where BMGs exist with critical cooling rates more than 13 orders of magnitude smaller than those for pure metals. However, there are a number of other features of interatomic potentials beyond hard-core interactions. How do these other features affect the glass-forming ability of BMGs? In this manuscript, we perform molecular dynamics simulations to determine how variations in the softness and non-additivity of the repulsive core and form of the interatomic pair potential at intermediate distances affect the GFA of binary alloys. These variations in the interatomic pair potential allow us to introduce geometric frustration and change the crystal phases that compete with glass formation. We also investigate the effect of tuning the strength of the many-body interactions from zero to the full embedded atom model on the GFA for pure metals. We then employ the full embedded atom model for binary BMGs and show that hard-core interactions play the dominant role in setting the GFA of alloys, while other features of the interatomic potential only change the GFA by one to two orders of magnitude. Despite their perturbative effect, understanding the detailed form of the intermetallic potential is important for designing BMGs with cm or greater casting thickness.

  4. Beyond packing of hard spheres: The effects of core softness, non-additivity, intermediate-range repulsion, and many-body interactions on the glass-forming ability of bulk metallic glasses.

    PubMed

    Zhang, Kai; Fan, Meng; Liu, Yanhui; Schroers, Jan; Shattuck, Mark D; O'Hern, Corey S

    2015-11-14

    When a liquid is cooled well below its melting temperature at a rate that exceeds the critical cooling rate Rc, the crystalline state is bypassed and a metastable, amorphous glassy state forms instead. Rc (or the corresponding critical casting thickness dc) characterizes the glass-forming ability (GFA) of each material. While silica is an excellent glass-former with small Rc < 10(-2) K/s, pure metals and most alloys are typically poor glass-formers with large Rc > 10(10) K/s. Only in the past thirty years have bulk metallic glasses (BMGs) been identified with Rc approaching that for silica. Recent simulations have shown that simple, hard-sphere models are able to identify the atomic size ratio and number fraction regime where BMGs exist with critical cooling rates more than 13 orders of magnitude smaller than those for pure metals. However, there are a number of other features of interatomic potentials beyond hard-core interactions. How do these other features affect the glass-forming ability of BMGs? In this manuscript, we perform molecular dynamics simulations to determine how variations in the softness and non-additivity of the repulsive core and form of the interatomic pair potential at intermediate distances affect the GFA of binary alloys. These variations in the interatomic pair potential allow us to introduce geometric frustration and change the crystal phases that compete with glass formation. We also investigate the effect of tuning the strength of the many-body interactions from zero to the full embedded atom model on the GFA for pure metals. We then employ the full embedded atom model for binary BMGs and show that hard-core interactions play the dominant role in setting the GFA of alloys, while other features of the interatomic potential only change the GFA by one to two orders of magnitude. Despite their perturbative effect, understanding the detailed form of the intermetallic potential is important for designing BMGs with cm or greater casting

  5. Velocity and energy distributions in microcanonical ensembles of hard spheres.

    PubMed

    Scalas, Enrico; Gabriel, Adrian T; Martin, Edgar; Germano, Guido

    2015-08-01

    In a microcanonical ensemble (constant NVE, hard reflecting walls) and in a molecular dynamics ensemble (constant NVEPG, periodic boundary conditions) with a number N of smooth elastic hard spheres in a d-dimensional volume V having a total energy E, a total momentum P, and an overall center of mass position G, the individual velocity components, velocity moduli, and energies have transformed beta distributions with different arguments and shape parameters depending on d, N, E, the boundary conditions, and possible symmetries in the initial conditions. This can be shown marginalizing the joint distribution of individual energies, which is a symmetric Dirichlet distribution. In the thermodynamic limit the beta distributions converge to gamma distributions with different arguments and shape or scale parameters, corresponding respectively to the Gaussian, i.e., Maxwell-Boltzmann, Maxwell, and Boltzmann or Boltzmann-Gibbs distribution. These analytical results agree with molecular dynamics and Monte Carlo simulations with different numbers of hard disks or spheres and hard reflecting walls or periodic boundary conditions. The agreement is perfect with our Monte Carlo algorithm, which acts only on velocities independently of positions with the collision versor sampled uniformly on a unit half sphere in d dimensions, while slight deviations appear with our molecular dynamics simulations for the smallest values of N. PMID:26382376

  6. Velocity and energy distributions in microcanonical ensembles of hard spheres

    NASA Astrophysics Data System (ADS)

    Scalas, Enrico; Gabriel, Adrian T.; Martin, Edgar; Germano, Guido

    2015-08-01

    In a microcanonical ensemble (constant N V E , hard reflecting walls) and in a molecular dynamics ensemble (constant N V E PG , periodic boundary conditions) with a number N of smooth elastic hard spheres in a d -dimensional volume V having a total energy E , a total momentum P , and an overall center of mass position G , the individual velocity components, velocity moduli, and energies have transformed beta distributions with different arguments and shape parameters depending on d , N , E , the boundary conditions, and possible symmetries in the initial conditions. This can be shown marginalizing the joint distribution of individual energies, which is a symmetric Dirichlet distribution. In the thermodynamic limit the beta distributions converge to gamma distributions with different arguments and shape or scale parameters, corresponding respectively to the Gaussian, i.e., Maxwell-Boltzmann, Maxwell, and Boltzmann or Boltzmann-Gibbs distribution. These analytical results agree with molecular dynamics and Monte Carlo simulations with different numbers of hard disks or spheres and hard reflecting walls or periodic boundary conditions. The agreement is perfect with our Monte Carlo algorithm, which acts only on velocities independently of positions with the collision versor sampled uniformly on a unit half sphere in d dimensions, while slight deviations appear with our molecular dynamics simulations for the smallest values of N .

  7. 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. PMID:22680411

  8. Molecular-scale hydrophobic interactions between hard-sphere reference solutes are attractive and endothermic

    PubMed Central

    Chaudhari, Mangesh I.; Holleran, Sinead A.; Ashbaugh, Henry S.; Pratt, Lawrence R.

    2013-01-01

    The osmotic second virial coefficients, B2, for atomic-sized hard spheres in water are attractive (B2 < 0) and become more attractive with increasing temperature (ΔB2/ΔT < 0) in the temperature range 300 K ≤ T ≤ 360 K. Thus, these hydrophobic interactions are attractive and endothermic at moderate temperatures. Hydrophobic interactions between atomic-sized hard spheres in water are more attractive than predicted by the available statistical mechanical theory. These results constitute an initial step toward detailed molecular theory of additional intermolecular interaction features, specifically, attractive interactions associated with hydrophobic solutes. PMID:24297918

  9. 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. PMID:19831433

  10. Dynamics of heterogeneous hard spheres in a file

    NASA Astrophysics Data System (ADS)

    Flomenbom, Ophir

    2010-09-01

    Normal dynamics in a quasi-one-dimensional channel of length L (→∞) of N hard spheres are analyzed. The spheres are heterogeneous: each has a diffusion coefficient D that is drawn from a probability density function (PDF), W˜D-γ for small D , where 0≤γ<1 . The initial spheres’ density ρ is nonuniform and scales with the distance (from the origin) l as ρ˜l-α , 0≤α≤1 . An approximation for the N -particle PDF for this problem is derived. From this solution, scaling law analysis and numerical simulations, we show here that the mean square displacement for a particle in such a system obeys ⟨r2⟩˜t(1-γ)/(2c-γ) , where c=1/(1+α) . The PDF of the tagged particle is Gaussian in position. Generalizations of these results are considered.

  11. Simple liquids’ quasiuniversality and the hard-sphere paradigm

    NASA Astrophysics Data System (ADS)

    Dyre, Jeppe C.

    2016-08-01

    This topical review discusses the quasiuniversality of simple liquids’ structure and dynamics and two possible justifications of it. The traditional one is based on the van der Waals picture of liquids in which the hard-sphere system reflects the basic physics. An alternative explanation argues that all quasiuniversal liquids to a good approximation conform to the same equation of motion, referring to the exponentially repulsive pair-potential system as the basic reference system. The paper, which is aimed at non-experts, ends by listing a number of open problems in the field.

  12. Simple liquids' quasiuniversality and the hard-sphere paradigm.

    PubMed

    Dyre, Jeppe C

    2016-08-17

    This topical review discusses the quasiuniversality of simple liquids' structure and dynamics and two possible justifications of it. The traditional one is based on the van der Waals picture of liquids in which the hard-sphere system reflects the basic physics. An alternative explanation argues that all quasiuniversal liquids to a good approximation conform to the same equation of motion, referring to the exponentially repulsive pair-potential system as the basic reference system. The paper, which is aimed at non-experts, ends by listing a number of open problems in the field. PMID:27345623

  13. Scaled particle theory for hard sphere pairs. I. Mathematical structure.

    PubMed

    Stillinger, Frank H; Debenedetti, Pablo G; Chatterjee, Swaroop

    2006-11-28

    We develop an extension of the original Reiss-Frisch-Lebowitz scaled particle theory that can serve as a predictive method for the hard sphere pair correlation function g(r). The reversible cavity creation work is analyzed both for a single spherical cavity of arbitrary size, as well as for a pair of identical such spherical cavities with variable center-to-center separation. These quantities lead directly to a prediction of g(r). Smooth connection conditions have been identified between the small-cavity situation where the work can be exactly and completely expressed in terms of g(r), and the large-cavity regime where macroscopic properties become relevant. Closure conditions emerge which produce a nonlinear integral equation that must be satisfied by the pair correlation function. This integral equation has a structure which straightforwardly generates a solution that is a power series in density. The results of this series replicate the exact second and third virial coefficients for the hard sphere system via the contact value of the pair correlation function. The predicted fourth virial coefficient is approximately 0.6% lower than the known exact value. Detailed numerical analysis of the nonlinear integral equation has been deferred to the subsequent paper. PMID:17144712

  14. Scaled particle theory for hard sphere pairs. I. Mathematical structure

    NASA Astrophysics Data System (ADS)

    Stillinger, Frank H.; Debenedetti, Pablo G.; Chatterjee, Swaroop

    2006-11-01

    We develop an extension of the original Reiss-Frisch-Lebowitz scaled particle theory that can serve as a predictive method for the hard sphere pair correlation function g(r ). The reversible cavity creation work is analyzed both for a single spherical cavity of arbitrary size, as well as for a pair of identical such spherical cavities with variable center-to-center separation. These quantities lead directly to a prediction of g(r ). Smooth connection conditions have been identified between the small-cavity situation where the work can be exactly and completely expressed in terms of g(r ), and the large-cavity regime where macroscopic properties become relevant. Closure conditions emerge which produce a nonlinear integral equation that must be satisfied by the pair correlation function. This integral equation has a structure which straightforwardly generates a solution that is a power series in density. The results of this series replicate the exact second and third virial coefficients for the hard sphere system via the contact value of the pair correlation function. The predicted fourth virial coefficient is approximately 0.6% lower than the known exact value. Detailed numerical analysis of the nonlinear integral equation has been deferred to the subsequent paper.

  15. Thermodynamic perturbation theory for fused hard-sphere and hard-disk chain fluids

    SciTech Connect

    Zhou, Y.; Hall, C.K.; Stell, G.

    1995-08-15

    We find that first-order thermodynamic perturbation theory (TPT1) which incorporates the reference monomer fluid used in the generalized Flory--{ital AB} (GF--{ital AB}) theory yields an equation of state for fused hard-sphere (FHS) chain fluids that has accuracy comparable to the GF--{ital AB} and GF--dimer--{ital AC} theories. The new TPT1 equation of state is significantly more accurate than other extensions of the TPT1 theory to FHS chain fluids. The TPT1 is also extended to two-dimensional fused hard-disk chain fluids. For the fused hard-disk dimer fluid, the extended TPT1 equation of state is found to be more accurate than the Boublik hard-disk dimer equation of state. {copyright} {ital 1995} {ital American} {ital Institute} {ital of} {ital Physics}.

  16. Compact Collision Kernels for Hard Sphere and Coulomb Cross Sections; Fokker-Planck Coefficients

    SciTech Connect

    Chang Yongbin; Shizgal, Bernie D.

    2008-12-31

    A compact collision kernel is derived for both hard sphere and Coulomb cross sections. The difference between hard sphere interaction and Coulomb interaction is characterized by a parameter {eta}. With this compact collision kernel, the calculation of Fokker-Planck coefficients can be done for both the Coulomb and hard sphere interactions. The results for arbitrary order Fokker-Planck coefficients are greatly simplified. An alternate form for the Coulomb logarithm is derived with concern to the temperature relaxation in a binary plasma.

  17. Singular Value Decomposition of the Radial Distribution Function for Hard Sphere and Square Well Potentials

    PubMed Central

    Hoppe, Travis

    2013-01-01

    We compute the singular value decomposition of the radial distribution function for hard sphere, and square well solutions. We find that decomposes into a small set of basis vectors allowing for an extremely accurate representation at all interpolated densities and potential strengths. In addition, we find that the coefficient vectors describing the magnitude of each basis vector are well described by a low-order polynomial. We provide a program to calculate in this compact representation for the investigated parameter range. PMID:24143174

  18. Density Fluctuations of Hard-Sphere Fluids in Narrow Confinement

    NASA Astrophysics Data System (ADS)

    Nygârd, Kim; Sarman, Sten; Hyltegren, Kristin; Chodankar, Shirish; Perret, Edith; Buitenhuis, Johan; van der Veen, J. Friso; Kjellander, Roland

    2016-01-01

    Spatial confinement induces microscopic ordering of fluids, which in turn alters many of their dynamic and thermodynamic properties. However, the isothermal compressibility has hitherto been largely overlooked in the literature, despite its obvious connection to the underlying microscopic structure and density fluctuations in confined geometries. Here, we address this issue by probing density profiles and structure factors of hard-sphere fluids in various narrow slits, using x-ray scattering from colloid-filled nanofluidic containers and integral-equation-based statistical mechanics at the level of pair distributions for inhomogeneous fluids. Most importantly, we demonstrate that density fluctuations and isothermal compressibilities in confined fluids can be obtained experimentally from the long-wavelength limit of the structure factor, providing a formally exact and experimentally accessible connection between microscopic structure and macroscopic, thermodynamic properties. Our approach will thus, for example, allow direct experimental verification of theoretically predicted enhanced density fluctuations in liquids near solvophobic interfaces.

  19. Detecting Phase Boundaries in Hard-Sphere Suspensions

    NASA Technical Reports Server (NTRS)

    McDowell, Mark; Rogers, Richard B.; Gray, Elizabeth

    2009-01-01

    A special image-data-processing technique has been developed for use in experiments that involve observation, via optical microscopes equipped with electronic cameras, of moving boundaries between the colloidal-solid and colloidal-liquid phases of colloidal suspensions of monodisperse hard spheres. During an experiment, it is necessary to adjust the position of a microscope to keep the phase boundary within view. A boundary typically moves at a speed of the order of microns per hour. Because an experiment can last days or even weeks, it is impractical to require human intervention to keep the phase boundary in view. The present image-data-processing technique yields results within a computation time short enough to enable generation of automated-microscope-positioning commands to track the moving phase boundary

  20. Inhomogeneous quasistationary state of dense fluids of inelastic hard spheres.

    PubMed

    Fouxon, Itzhak

    2014-05-01

    We study closed dense collections of freely cooling hard spheres that collide inelastically with constant coefficient of normal restitution. We find inhomogeneous states (ISs) where the density profile is spatially nonuniform but constant in time. The states are exact solutions of nonlinear partial differential equations that describe the coupled distributions of density and temperature valid when inelastic losses of energy per collision are small. The derivation is performed without modeling the equations' coefficients that are unknown in the dense limit (such as the equation of state) using only their scaling form specific for hard spheres. Thus the IS is the exact state of this dense many-body system. It captures a fundamental property of inelastic collections of particles: the possibility of preserving nonuniform temperature via the interplay of inelastic cooling and heat conduction that generalizes previous results. We perform numerical simulations to demonstrate that arbitrary initial state evolves to the IS in the limit of long times where the container has the geometry of the channel. The evolution is like a gas-liquid transition. The liquid condenses in a vanishing part of the total volume but takes most of the mass of the system. However, the gaseous phase, which mass grows only logarithmically with the system size, is relevant because its fast particles carry most of the energy of the system. Remarkably, the system self-organizes to dissipate no energy: The inelastic decay of energy is a power law [1+t/t(c)](-2), where t(c) diverges in the thermodynamic limit. This is reinforced by observing that for supercritical systems the IS coincide in most of the space with the steady states of granular systems heated at one of the walls. We discuss the relation of our results to the recently proposed finite-time singularity in other container's geometries. PMID:25353790

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

    DOE PAGESBeta

    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 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

  2. 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.

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

    PubMed Central

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

    2015-01-01

    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. Our study essentially identifies a long-sought-after structural glass order in hard-sphere glasses. PMID:26412008

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

    NASA Astrophysics Data System (ADS)

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

    2015-09-01

    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. Our study essentially identifies a long-sought-after structural glass order in hard-sphere glasses.

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

    PubMed

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

    2015-01-01

    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. Our study essentially identifies a long-sought-after structural glass order in hard-sphere glasses. PMID:26412008

  6. Local order variations in confined hard-sphere fluids

    NASA Astrophysics Data System (ADS)

    Nygârd, Kim; Sarman, Sten; Kjellander, Roland

    2013-10-01

    Pair distributions of fluids confined between two surfaces at close distance are of fundamental importance for a variety of physical, chemical, and biological phenomena, such as interactions between macromolecules in solution, surface forces, and diffusion in narrow pores. However, in contrast to bulk fluids, properties of inhomogeneous fluids are seldom studied at the pair-distribution level. Motivated by recent experimental advances in determining anisotropic structure factors of confined fluids, we analyze theoretically the underlying anisotropic pair distributions of the archetypical hard-sphere fluid confined between two parallel hard surfaces using first-principles statistical mechanics of inhomogeneous fluids. For this purpose, we introduce an experimentally accessible ensemble-averaged local density correlation function and study its behavior as a function of confining slit width. Upon increasing the distance between the confining surfaces, we observe an alternating sequence of strongly anisotropic versus more isotropic local order. The latter is due to packing frustration of the spherical particles. This observation highlights the importance of studying inhomogeneous fluids at the pair-distribution level.

  7. 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

  8. Hard-sphere kinetic models for inert and reactive mixtures.

    PubMed

    Polewczak, Jacek

    2016-10-19

    I consider stochastic variants of a simple reacting sphere (SRS) kinetic model (Xystris and Dahler 1978 J. Chem. Phys. 68 387-401, Qin and Dahler 1995 J. Chem. Phys. 103 725-50, Dahler and Qin 2003 J. Chem. Phys. 118 8396-404) for dense reacting mixtures. In contrast to the line-of-center models of chemical reactive models, in the SRS kinetic model, the microscopic reversibility (detailed balance) can be easily shown to be satisfied, and thus all mathematical aspects of the model can be fully justified. In the SRS model, the molecules behave as if they were single mass points with two internal states. Collisions may alter the internal states of the molecules, and this occurs when the kinetic energy associated with the reactive motion exceeds the activation energy. Reactive and non-reactive collision events are considered to be hard sphere-like. I consider a four component mixture A, B, A (*), B (*), in which the chemical reactions are of the type [Formula: see text], with A (*) and B (*) being distinct species from A and B. This work extends the joined works with George Stell to the kinetic models of dense inert and reactive mixtures. The idea of introducing smearing-type effect in the collisional process results in a new class of stochastic kinetic models for both inert and reactive mixtures. In this paper the important new mathematical properties of such systems of kinetic equations are proven. The new results for stochastic revised Enskog system for inert mixtures are also provided. PMID:27545341

  9. Depletion effects in smectic phases of hard-rod-hard-sphere mixtures.

    PubMed

    Martínez-Ratón, Y; Cinacchi, G; Velasco, E; Mederos, L

    2006-10-01

    It is known that when hard spheres are added to a pure system of hard rods the stability of the smectic phase may be greatly enhanced, and that this effect can be rationalised in terms of depletion forces. In the present paper we first study the effect of orientational order on depletion forces in this particular binary system, comparing our results with those obtained adopting the usual approximation of considering the rods parallel and their orientations frozen. We consider mixtures with rods of different aspect ratios and spheres of different diameters, and we treat them within Onsager theory. Our results indicate that depletion effects, and consequently smectic stability, decrease significantly as a result of orientational disorder in the smectic phase when compared with corresponding data based on the frozen-orientation approximation. These results are discussed in terms of the tau parameter, which has been proposed as a convenient measure of depletion strength. We present closed expressions for tau, and show that it is intimately connected with the depletion potential. We then analyse the effect of particle geometry by comparing results pertaining to systems of parallel rods of different shapes (spherocylinders, cylinders and parallelepipeds). We finally provide results based on the Zwanzig approximation of a fundamental-measure density-functional theory applied to mixtures of parallelepipeds and cubes of different sizes. In this case, we show that the tau parameter exhibits a linear asymptotic behaviour in the limit of large values of the hard-rod aspect ratio, in conformity with Onsager theory, as well as in the limit of large values of the ratio of rod breadth to cube side length, d, in contrast to Onsager approximation, which predicts tau approximately d (3). Based on both this result and the Percus-Yevick approximation for the direct correlation function for a hard-sphere binary mixture in the same limit of infinite asymmetry, we speculate that, for

  10. 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. PMID:23215507

  11. 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.

  12. Orientational ordering and phase behaviour of binary mixtures of hard spheres and hard spherocylinders

    NASA Astrophysics Data System (ADS)

    Wu, Liang; Malijevský, Alexandr; Jackson, George; Müller, Erich A.; Avendaño, Carlos

    2015-07-01

    We study the structure and fluid-phase behaviour of binary mixtures of hard spheres (HSs) and hard spherocylinders (HSCs) in isotropic and nematic states using the NPnAT ensemble Monte Carlo (MC) approach in which the normal component of the pressure tensor is fixed in a system confined between two hard walls. The method allows one to estimate the location of the isotropic-nematic phase transition and to observe the asymmetry in the composition between the coexisting phases, with the expected enhancement of the HSC concentration in the nematic phase. This is in stark contrast with the previously reported MC simulations where a conventional isotropic NPT ensemble was used. We further compare the simulation results with the theoretical predictions of two analytic theories that extend the original Parsons-Lee theory using the one-fluid and the many-fluid approximations [Malijevský et al., J. Chem. Phys. 129, 144504 (2008)]. In the one-fluid version of the theory, the properties of the mixture are related to an effective one-component HS system, while in the many-fluid theory, the components of the mixtures are represented as separate effective HS particles. The comparison reveals that both the one- and the many-fluid approaches provide a reasonably accurate quantitative description of the mixture including the predictions of the isotropic-nematic phase boundary and degree of orientational order of the HSC-HS mixture.

  13. Stabilizing the hexagonal close packed structure of hard spheres with polymers: Phase diagram, structure, and dynamics.

    PubMed

    Edison, John R; Dasgupta, Tonnishtha; Dijkstra, Marjolein

    2016-08-01

    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. PMID:27497577

  14. Stabilizing the hexagonal close packed structure of hard spheres with polymers: Phase diagram, structure, and dynamics

    NASA Astrophysics Data System (ADS)

    Edison, John R.; Dasgupta, Tonnishtha; Dijkstra, Marjolein

    2016-08-01

    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. Monte Carlo methods: Application to hydrogen gas and hard spheres

    NASA Astrophysics Data System (ADS)

    Dewing, Mark Douglas

    2001-08-01

    Quantum Monte Carlo (QMC) methods are among the most accurate for computing ground state properties of quantum systems. The two major types of QMC we use are Variational Monte Carlo (VMC), which evaluates integrals arising from the variational principle, and Diffusion Monte Carlo (DMC), which stochastically projects to the ground state from a trial wave function. These methods are applied to a system of boson hard spheres to get exact, infinite system size results for the ground state at several densities. The kinds of problems that can be simulated with Monte Carlo methods are expanded through the development of new algorithms for combining a QMC simulation with a classical Monte Carlo simulation, which we call Coupled Electronic-Ionic Monte Carlo (CEIMC). The new CEIMC method is applied to a system of molecular hydrogen at temperatures ranging from 2800K to 4500K and densities from 0.25 to 0.46 g/cm3. VMC requires optimizing a parameterized wave function to find the minimum energy. We examine several techniques for optimizing VMC wave functions, focusing on the ability to optimize parameters appearing in the Slater determinant. Classical Monte Carlo simulations use an empirical interatomic potential to compute equilibrium properties of various states of matter. The CEIMC method replaces the empirical potential with a QMC calculation of the electronic energy. This is similar in spirit to the Car-Parrinello technique, which uses Density Functional Theory for the electrons and molecular dynamics for the nuclei. The challenges in constructing an efficient CEIMC simulation center mostly around the noisy results generated from the QMC computations of the electronic energy. We introduce two complementary techniques, one for tolerating the noise and the other for reducing it. The penalty method modifies the Metropolis acceptance ratio to tolerate noise without introducing a bias in the simulation of the nuclei. For reducing the noise, we introduce the two-sided energy

  16. Solubilities of Solutes in Ionic Liquids from a SimplePerturbed-Hard-Sphere Theory

    SciTech Connect

    Qin, Yuan; Prausnitz, John M.

    2005-09-20

    In recent years, several publications have provided solubilities of ordinary gases and liquids in ionic liquids. This work reports an initial attempt to correlate the experimental data using a perturbed-hard-sphere theory; the perturbation is based on well-known molecular physics when the solution is considered as a dielectric continuum. For this correlation, the most important input parameters are hard-sphere diameters of the solute and of the cation and anion that constitute the ionic liquid. In addition, the correlation uses the solvent density and the solute's polarizability and dipole and quadrupole moments, if any. Dispersion-energy parameters are obtained from global correlation of solubility data. Results are given for twenty solutes in several ionic liquids at normal temperatures; in addition, some results are given for gases in two molten salts at very high temperatures. Because the theory used here is much simplified, and because experimental uncertainties (especially for gaseous solutes) are often large, the accuracy of the correlation presented here is not high; in general, predicted solubilities (Henry's constants) agree with experiment to within roughly {+-} 70%. As more reliable experimental data become available, modifications in the characterizing parameters are likely to improve accuracy. Nevertheless, even in its present form, the correlation may be useful for solvent screening in engineering design.

  17. Phase behavior of binary hard-sphere mixtures from perturbation theory.

    PubMed

    Velasco, E; Navascués, G; Mederos, L

    1999-09-01

    Using a first-order perturbation theory, we have studied the phase diagram of a binary mixture of hard spheres for different values of the size ratio. Recent models for the two-body depletion potential between large spheres are used to take into account the role of the small spheres. The theory predicts a complex phase diagram including a fluid-solid transition at high packing fraction of small spheres, metastability of fluid-fluid demixing, an isostructural solid-solid transition at high packing fraction of the large spheres for sufficiently small values of the size ratio q of the spheres, and the tendency to sticky-sphere behavior in the limit q-->0. The agreement with recent simulation results is quite good. We also show that this phenomenology was already implicit in the pioneering work of Asakura and Oosawa. PMID:11970123

  18. Stochastic Hard-Sphere Dynamics for Hydrodynamics of Non-Ideal Fluids

    SciTech Connect

    Donev, A; Alder, B J; Garcia, A L

    2008-02-26

    A novel stochastic fluid model is proposed with a nonideal structure factor consistent with compressibility, and adjustable transport coefficients. This stochastic hard-sphere dynamics (SHSD) algorithm is a modification of the direct simulation Monte Carlo algorithm and has several computational advantages over event-driven hard-sphere molecular dynamics. Surprisingly, SHSD results in an equation of state and a pair correlation function identical to that of a deterministic Hamiltonian system of penetrable spheres interacting with linear core pair potentials. The fluctuating hydrodynamic behavior of the SHSD fluid is verified for the Brownian motion of a nanoparticle suspended in a compressible solvent.

  19. Communication: Dynamical density functional theory for dense suspensions of colloidal hard spheres

    NASA Astrophysics Data System (ADS)

    Stopper, Daniel; Roth, Roland; Hansen-Goos, Hendrik

    2015-11-01

    We study structural relaxation of colloidal hard spheres undergoing Brownian motion using dynamical density functional theory. Contrary to the partial linearization route [D. Stopper et al., Phys. Rev. E 92, 022151 (2015)] which amounts to using different free energy functionals for the self and distinct part of the van Hove function G(r, t), we put forward a unified description employing a single functional for both components. To this end, interactions within the self part are removed via the zero-dimensional limit of the functional with a quenched self component. In addition, we make use of a theoretical result for the long-time mobility in hard-sphere suspensions, which we adapt to the inhomogeneous fluid. Our results for G(r, t) are in excellent agreement with numerical simulations even in the dense liquid phase. In particular, our theory accurately yields the crossover from free diffusion at short times to the slower long-time diffusion in a crowded environment.

  20. Thermodynamic Functions of Solvation of Hydrocarbons, Noble Gases, and Hard Spheres in Tetrahydrofuran-Water Mixtures.

    PubMed

    Sedov, I A; Magsumov, T I

    2015-07-16

    Thermodynamic solvation properties of mixtures of water with tetrahydrofuran at 298 K are studied. The Gibbs free energies and enthalpies of solvation of n-octane and toluene are determined experimentally. For molecular dynamics simulations of the binary solvent, we have modified a TraPPE-UA model for tetrahydrofuran and combined it with the SPC/E potential for water. The excess thermodynamic functions of neon, xenon, and hard spheres with two different radii are calculated using the particle insertion method. Simulated and real systems share the same characteristic trends for the thermodynamic functions. A maximum is present on dependencies of the enthalpy of solvation from the composition of solvent at 70-90 mol % water, making it higher than in both of the cosolvents. It is caused by a high enthalpy of cavity formation in the mixtures rich with water due to solvent reorganization around the cavity, which is shown by calculation of the enthalpy of solvation of hard spheres. Addition of relatively small amounts of tetrahydrofuran to water effectively suppresses the hydrophobic effect, leading to a quick increase of both the entropy and enthalpy of cavity formation and solvation of low polar molecules. PMID:26115405

  1. Free Energy Calculations of Crystalline Hard Sphere Complexes Using Density Functional Theory

    SciTech Connect

    Gunawardana, K. G.S.H.; Song, Xueyu

    2014-12-22

    Recently developed fundamental measure density functional theory (FMT) is used to study binary hard sphere (HS) complexes in crystalline phases. By comparing the excess free energy, pressure and phase diagram, we show that the fundamental measure functional yields good agreements to the available simulation results of AB, AB2 and AB13 crystals. Additionally, we use this functional to study the HS models of five binary crystals, Cu5Zr(C15b), Cu51Zr14(β), Cu10Zr7(φ), CuZr(B2) and CuZr2 (C11b), which are observed in the Cu-Zr system. The FMT functional gives well behaved minimum for most of the hard sphere crystal complexes in the two dimensional Gaussian space, namely a crystalline phase. However, the current version of FMT functional (white Bear) fails to give a stable minimum for the structure Cu10Zr7(φ). We argue that the observed solid phases for the HS models of the Cu-Zr system are true thermodynamic stable phases and can be used as a reference system in perturbation calculations.

  2. Free Energy Calculations of Crystalline Hard Sphere Complexes Using Density Functional Theory

    DOE PAGESBeta

    Gunawardana, K. G.S.H.; Song, Xueyu

    2014-12-22

    Recently developed fundamental measure density functional theory (FMT) is used to study binary hard sphere (HS) complexes in crystalline phases. By comparing the excess free energy, pressure and phase diagram, we show that the fundamental measure functional yields good agreements to the available simulation results of AB, AB2 and AB13 crystals. Additionally, we use this functional to study the HS models of five binary crystals, Cu5Zr(C15b), Cu51Zr14(β), Cu10Zr7(φ), CuZr(B2) and CuZr2 (C11b), which are observed in the Cu-Zr system. The FMT functional gives well behaved minimum for most of the hard sphere crystal complexes in the two dimensional Gaussian space,more » namely a crystalline phase. However, the current version of FMT functional (white Bear) fails to give a stable minimum for the structure Cu10Zr7(φ). We argue that the observed solid phases for the HS models of the Cu-Zr system are true thermodynamic stable phases and can be used as a reference system in perturbation calculations.« less

  3. Thermodynamic stability in elastic systems: Hard spheres embedded in a finite spherical elastic solid.

    PubMed

    Solano-Altamirano, J M; Goldman, Saul

    2015-12-01

    We determined the total system elastic Helmholtz free energy, under the constraints of constant temperature and volume, for systems comprised of one or more perfectly bonded hard spherical inclusions (i.e. "hard spheres") embedded in a finite spherical elastic solid. Dirichlet boundary conditions were applied both at the surface(s) of the hard spheres, and at the outer surface of the elastic solid. The boundary conditions at the surface of the spheres were used to describe the rigid displacements of the spheres, relative to their initial location(s) in the unstressed initial state. These displacements, together with the initial positions, provided the final shape of the strained elastic solid. The boundary conditions at the outer surface of the elastic medium were used to ensure constancy of the system volume. We determined the strain and stress tensors numerically, using a method that combines the Neuber-Papkovich spherical harmonic decomposition, the Schwartz alternating method, and Least-squares for determining the spherical harmonic expansion coefficients. The total system elastic Helmholtz free energy was determined by numerically integrating the elastic Helmholtz free energy density over the volume of the elastic solid, either by a quadrature, or a Monte Carlo method, or both. Depending on the initial position of the hard sphere(s) (or equivalently, the shape of the un-deformed stress-free elastic solid), and the displacements, either stationary or non-stationary Helmholtz free energy minima were found. The non-stationary minima, which involved the hard spheres nearly in contact with one another, corresponded to lower Helmholtz free energies, than did the stationary minima, for which the hard spheres were further away from one another. PMID:26701708

  4. Nonclassical Nucleation in a Solid-Solid Transition of Confined Hard Spheres

    NASA Astrophysics Data System (ADS)

    Qi, Weikai; Peng, Yi; Han, Yilong; Bowles, Richard K.; Dijkstra, Marjolein

    2015-10-01

    A solid-solid phase transition of colloidal hard spheres confined between two planar hard walls is studied using a combination of molecular dynamics and Monte Carlo simulation. The transition from a solid consisting of five crystalline layers with square symmetry (5 □ ) to a solid consisting of four layers with triangular symmetry (4 △ ) is shown to occur through a nonclassical nucleation mechanism that involves the initial formation of a precritical liquid cluster, within which the cluster of the stable 4 △ phase grows. Free-energy calculations show that the transition occurs in one step, crossing a single free-energy barrier, and that the critical nucleus consists of a small 4 △ solid cluster wetted by a metastable liquid. In addition, the liquid cluster and the solid cluster are shown to grow at the planar hard walls. We also find that the critical nucleus size increases with supersaturation, which is at odds with classical nucleation theory. The △-solid-like cluster is shown to contain both face-centered-cubic and hexagonal-close-packed ordered particles.

  5. Density Functional Approximation for Non-Hard Sphere Fluids Subjected to External Fields

    NASA Astrophysics Data System (ADS)

    Zhou, Shiqi

    A theoretical way is proposed, by which any hard sphere density functional approximation (DFA) can be applied to non-hard sphere fluids for the calculation of density profile in the framework of density functional theory (DFT). Used as examples, the present formalism is combined respectively with two recently proposed hard sphere DFAs to predict the density profile of Lennard-Jones (LJ) fluid, hard core square well (SW) fluid and penetrable potenial fluid subjected to diverse external fields. Extensive comparison between theoretical predictions and corresponding simulation results shows that the present theoretical way, when combined with an accurate hard sphere DFA, can perform well for calculating the density profile of the non-uniform fluids of the above mentioned potentials. Concretely speaking, for LJ and hard core SW fluid, even a less accurate FEDFA is sufficient, while for extreme potential such as the penetrable potenial, a more accurate adjustable parameter free version of LTDFA is needed to combine with the present theoretical way to predict density profile satisfactorily. The advantage of the proposed theoretical way is that the resultant DFA is applicable to both subcritical and supercritical temperature cases, thereby overcoming the disadvantages of previous two categories of DFT approach.

  6. Relaxation rates in the Maxwellian collision model and its variable hard sphere surrogate

    NASA Astrophysics Data System (ADS)

    Rubinstein, Robert

    2015-08-01

    The variable hard sphere and related models have proven to be accurate and computationally convenient replacements for the inverse power law model of classical kinetic theory in direct simulation Monte Carlo calculations. We attempt to provide theoretical support for this remarkable success by comparing the relaxation rates in the linearized Boltzmann equation for the Maxwellian collision model with those of its variable hard sphere surrogate. The comparison demonstrates that the linearized collision operator with variable hard sphere interactions can accurately approximate the linearized collision operator with Maxwellian inverse power law interactions under well-defined and broadly applicable conditions. Extensions of the analysis to the general inverse power law model and to more realistic intermolecular potentials are briefly discussed.

  7. Apparent wall slip in non-Brownian hard-sphere suspensions.

    PubMed

    Korhonen, Marko; Mohtaschemi, Mikael; Puisto, Antti; Illa, Xavier; Alava, Mikko J

    2015-05-01

    We analyze apparent wall slip, the reduction of particle concentration near the wall, in hard-sphere suspensions at concentrations well below the jamming limit utilizing a continuum level diffusion model. The approach extends a constitutive equation proposed earlier with two additional potentials describing the effects of gravitation and wall-particle repulsion. We find that although both mechanisms are shear independent by nature, due to the shear-rate-dependent counter-balancing particle migration fluxes, the resulting net effect is non-linearly shear dependent, causing larger slip at small shear rates. In effect, this shows up in the classically measured flow curves as a mild shear thickening regime at the transition from small to intermediate shear rates. PMID:25998170

  8. Stochastic interactions of two Brownian hard spheres in the presence of depletants

    SciTech Connect

    Karzar-Jeddi, Mehdi; Fan, Tai-Hsi; Tuinier, Remco; Taniguchi, Takashi

    2014-06-07

    A quantitative analysis is presented for the stochastic interactions of a pair of Brownian hard spheres in non-adsorbing polymer solutions. The hard spheres are hypothetically trapped by optical tweezers and allowed for random motion near the trapped positions. The investigation focuses on the long-time correlated Brownian motion. The mobility tensor altered by the polymer depletion effect is computed by the boundary integral method, and the corresponding random displacement is determined by the fluctuation-dissipation theorem. From our computations it follows that the presence of depletion layers around the hard spheres has a significant effect on the hydrodynamic interactions and particle dynamics as compared to pure solvent and uniform polymer solution cases. The probability distribution functions of random walks of the two interacting hard spheres that are trapped clearly shift due to the polymer depletion effect. The results show that the reduction of the viscosity in the depletion layers around the spheres and the entropic force due to the overlapping of depletion zones have a significant influence on the correlated Brownian interactions.

  9. Freezing, melting and the glass transition in a suspension of hard spheres

    NASA Astrophysics Data System (ADS)

    van Megen, W.

    2002-08-01

    When a suspension of hard spheres traverses the freezing volume fraction we find discontinuous changes in the character of the tagged particle density. In particular, the velocity auto-correlation function develops a negative algebraic decay and the fluctuations become subject to interruption. From these, and the exponent of the algebraic growth of the non-Gaussian parameter, the difference in mode of relaxation of the density fluctuations between the stable and metastable colloidal fluids can be quantified. A diagrammatic scheme is proposed that reconciles the dynamics of phase transitions observed in hard-sphere colloids.

  10. Equilibrium distribution of hard-sphere systems and revised Enskog theory

    NASA Astrophysics Data System (ADS)

    van Beijeren, H.

    1983-10-01

    A revised Enskog theory (RET) is shown to lead to a correct equilibrium distribution in hard-sphere systems in a stationary external potential, while the standard Enskog theory (SET) does not. Attention is given to the s-component hard-sphere mixture with constant external potential acting on particles of a particular species. The different definition of the pair correlation function at a contact point of two different species used in RET is demonstrated to be consistent with equilibrium statistical mechanics, whereas the definition chosen for the contact point in SET is not.

  11. Note: equation of state and the freezing point in the hard-sphere model.

    PubMed

    Robles, Miguel; López de Haro, Mariano; Santos, Andrés

    2014-04-01

    The merits of different analytical equations of state for the hard-sphere system with respect to the recently computed high-accuracy value of the freezing-point packing fraction are assessed. It is found that the Carnahan-Starling-Kolafa and the branch-point approximant equations of state yield the best performance. PMID:24712819

  12. Self-consistent phonon theory of the crystallization and elasticity of attractive hard spheres.

    PubMed

    Shin, Homin; Schweizer, Kenneth S

    2013-02-28

    We propose an Einstein-solid, self-consistent phonon theory for the crystal phase of hard spheres that interact via short-range attractions. The approach is first tested against the known behavior of hard spheres, and then applied to homogeneous particles that interact via short-range square well attractions and the Baxter adhesive hard sphere model. Given the crystal symmetry, packing fraction, and strength and range of attractive interactions, an effective harmonic potential experienced by a particle confined to its Wigner-Seitz cell and corresponding mean square vibrational amplitude are self-consistently calculated. The crystal free energy is then computed and, using separate information about the fluid phase free energy, phase diagrams constructed, including a first-order solid-solid phase transition and its associated critical point. The simple theory qualitatively captures all the many distinctive features of the phase diagram (critical and triple point, crystal-fluid re-entrancy, low-density coexistence curve) as a function of attraction range, and overall is in good semi-quantitative agreement with simulation. Knowledge of the particle localization length allows the crystal shear modulus to be estimated based on elementary ideas. Excellent predictions are obtained for the hard sphere crystal. Expanded and condensed face-centered cubic crystals are found to have qualitatively different elastic responses to varying attraction strength or temperature. As temperature increases, the expanded entropic solid stiffens, while the energy-controlled, fully-bonded dense solid softens. PMID:23464163

  13. Two-fluid theory and thermodynamic properties of liquid mixtures. Application to hard-sphere mixtures

    PubMed Central

    Brandani, V.; Prausnitz, J. M.

    1982-01-01

    This paper is the second of three describing a two-fluid theory of binary liquid mixtures. The general theory presented in the preceding paper is used to derive a model for calculating thermodynamic properties of hard-sphere mixtures. Calculations indicate that desirable boundary conditions are satisfied. PMID:16593220

  14. Radial distribution function for hard spheres in fractal dimensions: A heuristic approximation

    NASA Astrophysics Data System (ADS)

    Santos, Andrés; de Haro, Mariano López

    2016-06-01

    Analytic approximations for the radial distribution function, the structure factor, and the equation of state of hard-core fluids in fractal dimension d (1 ≤d ≤3 ) are developed as heuristic interpolations from the knowledge of the exact and Percus-Yevick results for the hard-rod and hard-sphere fluids, respectively. In order to assess their value, such approximate results are compared with those of recent Monte Carlo simulations and numerical solutions of the Percus-Yevick equation for a fractal dimension [M. Heinen et al., Phys. Rev. Lett. 115, 097801 (2015), 10.1103/PhysRevLett.115.097801], a good agreement being observed.

  15. Hard sphere-like glass transition in eye lens α-crystallin solutions

    PubMed Central

    Savin, Gabriela; Bucciarelli, Saskia; Dorsaz, Nicolas; Thurston, George M.; Stradner, Anna; Schurtenberger, Peter

    2014-01-01

    We study the equilibrium liquid structure and dynamics of dilute and concentrated bovine eye lens α-crystallin solutions, using small-angle X-ray scattering, static and dynamic light scattering, viscometry, molecular dynamics simulations, and mode-coupling theory. We find that a polydisperse Percus–Yevick hard-sphere liquid-structure model accurately reproduces both static light scattering data and small-angle X-ray scattering liquid structure data from α-crystallin solutions over an extended range of protein concentrations up to 290 mg/mL or 49% vol fraction and up to ca. 330 mg/mL for static light scattering. The measured dynamic light scattering and viscosity properties are also consistent with those of hard-sphere colloids and show power laws characteristic of an approach toward a glass transition at α-crystallin volume fractions near 58%. Dynamic light scattering at a volume fraction beyond the glass transition indicates formation of an arrested state. We further perform event-driven molecular dynamics simulations of polydisperse hard-sphere systems and use mode-coupling theory to compare the measured dynamic power laws with those of hard-sphere models. The static and dynamic data, simulations, and analysis show that aqueous eye lens α-crystallin solutions exhibit a glass transition at high concentrations that is similar to those found in hard-sphere colloidal systems. The α-crystallin glass transition could have implications for the molecular basis of presbyopia and the kinetics of molecular change during cataractogenesis. PMID:25385638

  16. Using compressibility factor as a predictor of confined hard-sphere fluid dynamics.

    PubMed

    Mittal, Jeetain

    2009-10-22

    We study the correlations between the diffusivity (or viscosity) and the compressibility factor of bulk hard-sphere fluid as predicted by the ultralocal limit of the barrier hopping theory. Our specific aim is to determine if these correlations observed in the bulk equilibrium hard-sphere fluid can be used to predict the self-diffusivity of fluid confined between a slit-pore or a rectangular channel. In this work, we consider a single-component and a binary mixture of hard spheres. To represent confining walls, we use purely reflecting hard walls and interacting square-well walls. Our results clearly show that the correspondence between the diffusivity and the compressibility factor can be used along with the knowledge of the confined fluid's compressibility factor to predict its diffusivity with quantitative accuracy. Our analysis also suggests that a simple measure, the average fluid density, can be an accurate predictor of confined fluid diffusivity for very tight confinements ( approximately 2-3 particle diameters wide) at low to intermediate density conditions. Together, these results provide further support for the idea that one can use robust connections between thermodynamic and dynamic quantities to predict dynamics of confined fluids from their thermodynamics. PMID:19702285

  17. Using compressibility factor as a predictor of confined hard-sphere fluid dynamics

    PubMed Central

    Mittal, Jeetain

    2009-01-01

    We study the correlations between the diffusivity (or viscosity) and the compressibility factor of bulk hard-sphere fluid as predicted by the ultralocal limit of the barrier hopping theory. Our specific aim is to determine if these correlations observed in the bulk equilibrium hard-sphere fluid can be used to predict the self-diffusivity of fluid confined between a slit-pore or a rectangular channel. In this work, we consider a single-component and a binary mixture of hard spheres. To represent confining walls, we use purely reflecting hard walls and interacting square-well walls. Our results clearly show that the correspondence between the diffusivity and the compressibility factor can be used along with the knowledge of the confined fluid's compressibility factor to predict its diffusivity with quantitative accuracy. Our analysis also suggests that a simple measure, the average fluid density, can be an accurate predictor of confined fluid diffusivity for very tight confinements (≈ 2-3 particle diameters wide) at low to intermediate density conditions. Together, these results provide further support for the idea that one can use robust connections between thermodynamic and dynamic quantities to predict dynamics of confined fluids from their thermodynamics. PMID:19702285

  18. The rheology of hard sphere suspensions at arbitrary volume fractions: An improved differential viscosity model.

    PubMed

    Mendoza, Carlos I; Santamaría-Holek, I

    2009-01-28

    We propose a simple and general model accounting for the dependence of the viscosity of a hard sphere suspension at arbitrary volume fractions. The model constitutes a continuum-medium description based on a recursive-differential method where correlations between the spheres are introduced through an effective volume fraction. In contrast to other differential methods, the introduction of the effective volume fraction as the integration variable implicitly considers interactions between the spheres of the same recursive stage. The final expression for the viscosity scales with this effective volume fraction, which allows constructing a master curve that contains all the experimental situations considered. The agreement of our expression for the viscosity with experiments at low- and high-shear rates and in the high-frequency limit is remarkable for all volume fractions. PMID:19191410

  19. Communication: radial distribution functions in a two-dimensional binary colloidal hard sphere system.

    PubMed

    Thorneywork, Alice L; Roth, Roland; Aarts, Dirk G A L; Dullens, Roel P A

    2014-04-28

    Two-dimensional hard disks are a fundamentally important many-body model system in classical statistical mechanics. Despite their significance, a comprehensive experimental data set for two-dimensional single component and binary hard disks is lacking. Here, we present a direct comparison between the full set of radial distribution functions and the contact values of a two-dimensional binary colloidal hard sphere model system and those calculated using fundamental measure theory. We find excellent quantitative agreement between our experimental data and theoretical predictions for both single component and binary hard disk systems. Our results provide a unique and fully quantitative mapping between experiments and theory, which is crucial in establishing the fundamental link between structure and dynamics in simple liquids and glass forming systems. PMID:24784245

  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. Clusters in sedimentation equilibrium for an experimental hard-sphere-plus-dipolar Brownian colloidal system.

    PubMed

    Newman, Hugh D; Yethiraj, Anand

    2015-01-01

    In this work, we use structure and dynamics in sedimentation equilibrium, in the presence of gravity, to examine, via confocal microscopy, a Brownian colloidal system in the presence of an external electric field. The zero field equation of state (EOS) is hard sphere without any re-scaling of particle size, and the hydrodynamic corrections to the long-time self-diffusion coefficient are quantitatively consistent with the expected value for hard spheres. Care is taken to ensure that both the dimensionless gravitational energy, which is equivalent to a Peclet number Peg, and dipolar strength Λ are of order unity. In the presence of an external electric field, anisotropic chain-chain clusters form; this cluster formation manifests itself with the appearance of a plateau in the diffusion coefficient when the dimensionless dipolar strength Λ ~ 1. The structure and dynamics of this chain-chain cluster state is examined for a monodisperse system for two particle sizes. PMID:26323363

  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. Regularized 13 moment equations for hard sphere molecules: Linear bulk equations

    NASA Astrophysics Data System (ADS)

    Struchtrup, Henning; Torrilhon, Manuel

    2013-05-01

    The regularized 13 moment equations of rarefied gas dynamics are derived for a monatomic hard sphere gas in the linear regime. The equations are based on an extended Grad-type moment system, which is systematically reduced by means of the Order of Magnitude Method [H. Struchtrup, "Stable transport equations for rarefied gases at high orders in the Knudsen number," Phys. Fluids 16(11), 3921-3934 (2004)], 10.1063/1.1782751. Chapman-Enskog expansion of the final equations yields the linear Burnett and super-Burnett equations. While the Burnett coefficients agree with literature values, this seems to be the first time that super-Burnett coefficients are computed for a hard sphere gas. As a first test of the equations the dispersion and damping of sound waves is considered.

  4. Clusters in sedimentation equilibrium for an experimental hard-sphere-plus-dipolar Brownian colloidal system

    PubMed Central

    Newman, Hugh D.; Yethiraj, Anand

    2015-01-01

    In this work, we use structure and dynamics in sedimentation equilibrium, in the presence of gravity, to examine, via confocal microscopy, a Brownian colloidal system in the presence of an external electric field. The zero field equation of state (EOS) is hard sphere without any re-scaling of particle size, and the hydrodynamic corrections to the long-time self-diffusion coefficient are quantitatively consistent with the expected value for hard spheres. Care is taken to ensure that both the dimensionless gravitational energy, which is equivalent to a Peclet number Peg, and dipolar strength Λ are of order unity. In the presence of an external electric field, anisotropic chain-chain clusters form; this cluster formation manifests itself with the appearance of a plateau in the diffusion coefficient when the dimensionless dipolar strength Λ ~ 1. The structure and dynamics of this chain-chain cluster state is examined for a monodisperse system for two particle sizes. PMID:26323363

  5. Parallelized event chain algorithm for dense hard sphere and polymer systems

    SciTech Connect

    Kampmann, Tobias A. Boltz, Horst-Holger; Kierfeld, Jan

    2015-01-15

    We combine parallelization and cluster Monte Carlo for hard sphere systems and present a parallelized event chain algorithm for the hard disk system in two dimensions. For parallelization we use a spatial partitioning approach into simulation cells. We find that it is crucial for correctness to ensure detailed balance on the level of Monte Carlo sweeps by drawing the starting sphere of event chains within each simulation cell with replacement. We analyze the performance gains for the parallelized event chain and find a criterion for an optimal degree of parallelization. Because of the cluster nature of event chain moves massive parallelization will not be optimal. Finally, we discuss first applications of the event chain algorithm to dense polymer systems, i.e., bundle-forming solutions of attractive semiflexible polymers.

  6. Tracking three-phase coexistences in binary mixtures of hard plates and spheres

    NASA Astrophysics Data System (ADS)

    Aliabadi, Roohollah; Moradi, Mahmood; Varga, Szabolcs

    2016-02-01

    The stability of demixing phase transition in binary mixtures of hard plates (with thickness L and diameter D) and hard spheres (with diameter σ) is studied by means of Parsons-Lee theory. The isotropic-isotropic demixing, which is found in mixtures of large spheres and small plates, is very likely to be pre-empted by crystallization. In contrast, the nematic-nematic demixing, which is obtained in mixtures of large plates and small spheres, can be stabilized at low diameter ratios (σ/D) and aspect ratios (L/D). At intermediate values of σ/D, where the sizes of the components are similar, neither the isotropic-isotropic nor the nematic-nematic demixing can be stabilized, but a very strong fractionation takes place between a plate rich nematic and a sphere rich isotropic phases. Our results show that the excluded volume interactions are capable alone to explain the experimental observation of the nematic-nematic demixing, but they fail in the description of isotropic-isotropic one [M. Chen et al., Soft Matter 11, 5775 (2015)].

  7. New closed virial equation of state for hard-sphere fluids.

    PubMed

    Tian, Jianxiang; Gui, Yuanxing; Mulero, Angel

    2010-10-28

    A new closed virial equation of state of hard-sphere fluids is proposed which reproduces the calculated or estimated values of the first 16 virial coefficients and at the same time gives very good accuracy when compared with computer simulation data for the compressibility factor over the entire fluid range, as well as having a pole at the correct closest packing density. PMID:20883000

  8. Sum Rules for the Pair-Correlation Functions of Inhomogeneous Fluids: Results for the Hard-Sphere-Hard-Wall System

    NASA Astrophysics Data System (ADS)

    Henderson, D.; Plischke, M.

    1987-04-01

    Starting from well-known relations for the derivatives of the radial distribution functions of a mixture of fluids, and allowing the diameter of one particle to become exceedingly large, three sum rules for a fluid with density inhomogeneities are obtained. None of these sum rules are new. However, the relation between the Lovett-Mou-Buff-Wertheim and the Born-Green hierarchy of equations seems not well known. The accuracy of a recent parametrization of the pair correlation of hard spheres near a hard wall and of the solutions of the Percus-Yevick and hypernetted-chain equation for this same function are examined by determination of how well these functions satisfy these sum rules and the accuracy of their surface tension, calculated from the sum rule of Triezenberg and Zwanzig. Generally speaking, the Percus-Yevick theory gives the best results and the hypernetted-chain approximation gives the worst results with the parametrization being intermediate.

  9. Scaled Particle Theory for Multicomponent Hard Sphere Fluids Confined in Random Porous Media.

    PubMed

    Chen, W; Zhao, S L; Holovko, M; Chen, X S; Dong, W

    2016-06-23

    The formulation of scaled particle theory (SPT) is presented for a quite general model of fluids confined in a random porous media, i.e., a multicomponent hard sphere (HS) fluid in a multicomponent hard sphere or a multicomponent overlapping hard sphere (OHS) matrix. The analytical expressions for pressure, Helmholtz free energy, and chemical potential are derived. The thermodynamic consistency of the proposed theory is established. Moreover, we show that there is an isomorphism between the SPT for a multicomponent system and that for a one-component system. Results from grand canonical ensemble Monte Carlo simulations are also presented for a binary HS mixture in a one-component HS or a one-component OHS matrix. The accuracy of various variants derived from the basic SPT formulation is appraised against the simulation results. Scaled particle theory, initially formulated for a bulk HS fluid, has not only provided an analytical tool for calculating thermodynamic properties of HS fluid but also helped to gain very useful insight for elaborating other theoretical approaches such as the fundamental measure theory (FMT). We expect that the general SPT for multicomponent systems developed in this work can contribute to the study of confined fluids in a similar way. PMID:27294670

  10. Simple effective rule to estimate the jamming packing fraction of polydisperse hard spheres.

    PubMed

    Santos, Andrés; Yuste, Santos B; López de Haro, Mariano; Odriozola, Gerardo; Ogarko, Vitaliy

    2014-04-01

    A recent proposal in which the equation of state of a polydisperse hard-sphere mixture is mapped onto that of the one-component fluid is extrapolated beyond the freezing point to estimate the jamming packing fraction ϕJ of the polydisperse system as a simple function of M1M3/M22, where Mk is the kth moment of the size distribution. An analysis of experimental and simulation data of ϕJ for a large number of different mixtures shows a remarkable general agreement with the theoretical estimate. To give extra support to the procedure, simulation data for seventeen mixtures in the high-density region are used to infer the equation of state of the pure hard-sphere system in the metastable region. An excellent collapse of the inferred curves up to the glass transition and a significant narrowing of the different out-of-equilibrium glass branches all the way to jamming are observed. Thus, the present approach provides an extremely simple criterion to unify in a common framework and to give coherence to data coming from very different polydisperse hard-sphere mixtures. PMID:24827171

  11. Thermodynamics of dipolar hard spheres with low-to-intermediate coupling constants.

    PubMed

    Elfimova, Ekaterina A; Ivanov, Alexey O; Camp, Philip J

    2012-08-01

    The thermodynamic properties of the dipolar hard-sphere fluid are studied using theory and simulation. A new theory is derived using a convenient mathematical approximation for the Helmholtz free energy relative to that for the hard-sphere fluid. The approximation is designed to give the correct low-density virial expansion. New theoretical and numerical results for the fourth virial coefficient are given. Predictions of thermodynamic functions for dipolar coupling constants λ=1 and 2 show excellent agreement with simulation results, even at the highest value of the particle volume fraction φ. For higher values of λ, there are deviations at high volume fractions, but the correct low-density behavior is retained. The theory is compared critically against the established thermodynamic perturbation theory; it gives significant improvements at low densities and is more convenient in terms of the required numerics. Dipolar hard spheres provide a basic model for ferrofluids, and the theory is accurate for typical experimental parameters λ

  12. Radial distribution function for hard spheres in fractal dimensions: A heuristic approximation.

    PubMed

    Santos, Andrés; de Haro, Mariano López

    2016-06-01

    Analytic approximations for the radial distribution function, the structure factor, and the equation of state of hard-core fluids in fractal dimension d (1≤d≤3) are developed as heuristic interpolations from the knowledge of the exact and Percus-Yevick results for the hard-rod and hard-sphere fluids, respectively. In order to assess their value, such approximate results are compared with those of recent Monte Carlo simulations and numerical solutions of the Percus-Yevick equation for a fractal dimension [M. Heinen et al., Phys. Rev. Lett. 115, 097801 (2015)PRLTAO0031-900710.1103/PhysRevLett.115.097801], a good agreement being observed. PMID:27415227

  13. The Physics of Hard Spheres Experiment on MSL-1: Required Measurements and Instrument Performance

    NASA Technical Reports Server (NTRS)

    Doherty, Michael P.; Lant, Christian T.; Ling, Jerri S.

    1998-01-01

    The Physics of HArd Spheres Experiment (PHaSE), one of NASA Lewis Research Center's first major light scattering experiments for microgravity research on complex fluids, flew on board the Space Shuttle's Microgravity Science Laboratory (MSL-1) in 1997. Using colloidal systems of various concentrations of micron-sized plastic spheres in a refractive index-matching fluid as test samples, illuminated by laser light during and after crystallization, investigations were conducted to measure the nucleation and growth rate of colloidal crystals as well as the structure, rheology, and dynamics of the equilibrium crystal. Together, these measurements support an enhanced understanding of the nature of the liquid-to-solid transition. Achievement of the science objectives required an accurate experimental determination of eight fundamental properties for the hard sphere colloidal samples. The instrument design met almost all of the original measurement requirements, but with compromise on the number of samples on which data were taken. The instrument performs 2-D Bragg and low angle scattering from 0.4 deg. to 60 deg., dynamic and single-channel static scattering from 10 deg. to 170 deg., rheology using fiber optics, and white light imaging of the sample. As a result, PHaSE provided a timely microgravity demonstration of critical light scattering measurement techniques and hardware concepts, while generating data already showing promise of interesting new scientific findings in the field of condensed matter physics.

  14. 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.

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

    PubMed

    Hanifpour, M; Francois, N; Robins, V; Kingston, A; Allaei, S M Vaez; 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 ϕ(Bernal)≈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 ϕ(Bernal)≈0.64 and ϕ(c)≈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. PMID:26172700

  16. Topological and metrical property characterization of radical subunits for ternary hard sphere crystals

    NASA Astrophysics Data System (ADS)

    Wang, Lin; An, Xizhong; Wang, Defeng; Qian, Quan

    2016-01-01

    Quantitative characterization on the topological and metrical properties of radical subunits (polyhedra) for two new ternary hard sphere crystals was studied. These two ideal crystalline structures are numerically constructed by filling small and medium spheres into interstices (corresponding to regular tetrahedral and octahedral pores) of perfect face centered cubic (FCC) and hexagonal close packed (HCP) crystals formed by the packing of large spheres. Topological properties such as face number, edge number, vertex number of each radical polyhedron (RP), edge number of each RP face and metrical properties such as volume, surface area, total perimeter and pore volume of each RP, area and perimeter of each RP face were analyzed and compared. The results show that even though the overall packing densities for FCC and HCP ternary crystals are the same, different characteristics of radical polyhedra for corresponding spheres in these two crystals can be identified. That is, in the former structure RPs are more symmetric than those in the latter; the orientations of corresponding RP in the latter are twice as many as that in the former. Moreover, RP topological and metrical properties in the HCP ternary crystal are much more complicated than those in the FCC ternary crystal. These differences imply the structure and property differences of these two ternary crystals. Analyses of RPs provide intensive understanding of pores in the structure.

  17. 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.

  18. Family of tunable spherically symmetric potentials that span the range from hard spheres to waterlike behavior.

    PubMed

    Yan, Zhenyu; Buldyrev, Sergey V; Giovambattista, Nicolas; Debenedetti, Pablo G; Stanley, H Eugene

    2006-05-01

    We investigate the equation of state, diffusion coefficient, and structural order of a family of spherically symmetric potentials consisting of a hard core and a linear repulsive ramp. This generic potential has two characteristic length scales: the hard and soft core diameters. The family of potentials is generated by varying their ratio, lambda. We find negative thermal expansion (thermodynamic anomaly) and an increase of the diffusion coefficient upon isothermal compression (dynamic anomaly) for 0< or =lambda<6/7. As in water, the regions where these anomalies occur are nested domes in the (T, p) or (T, P) planes , with the thermodynamic anomaly dome contained entirely within the dynamic anomaly dome. We calculate translational and orientational order parameters (t and Q6), and project equilibrium state points onto the (t, Q6) plane, or order map. The order map evolves from waterlike behavior to hard-sphere-like behavior upon varying lambda between 4/7 and 6/7. Thus, we traverse the range of liquid behavior encompassed by hard spheres (lanbda=1) and waterlike (lambda approximately 4/7) with a family of tunable spherically symmetric potentials by simply varying the ratio of hard to soft-core diameters. Although dynamic and thermodynamic anomalies occur almost across the entire range 0< or=lambda< or=1, waterlike structural anomalies (i.e., decrease in both t and Q6 upon compression and strictly correlated T and Q6 in the anomalous region) occur only around lambda=4/7. Waterlike anomalies in structure, dynamics and thermodynamics arise solely due to the existence of two length scales, with their ratio lambda being the single control parameter, orientation-dependent interactions being absent by design. PMID:16802925

  19. The role of bond tangency and bond gap in hard sphere crystallization of chains.

    PubMed

    Karayiannis, Nikos Ch; Foteinopoulou, Katerina; Laso, Manuel

    2015-03-01

    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. PMID:25594158

  20. Equilibrium Sampling of Hard Spheres up to the Jamming Density and Beyond

    NASA Astrophysics Data System (ADS)

    Berthier, Ludovic; Coslovich, Daniele; Ninarello, Andrea; Ozawa, Misaki

    2016-06-01

    We implement and optimize a particle-swap Monte Carlo algorithm that allows us to thermalize a polydisperse system of hard spheres up to unprecedentedly large volume fractions, where previous algorithms and experiments fail to equilibrate. We show that no glass singularity intervenes before the jamming density, which we independently determine through two distinct nonequilibrium protocols. We demonstrate that equilibrium fluid and nonequilibrium jammed states can have the same density, showing that the jamming transition cannot be the end point of the fluid branch.

  1. Simple and accurate theory for strong shock waves in a dense hard-sphere fluid.

    PubMed

    Montanero, J M; López de Haro, M; Santos, A; Garzó, V

    1999-12-01

    Following an earlier work by Holian et al. [Phys. Rev. E 47, R24 (1993)] for a dilute gas, we present a theory for strong shock waves in a hard-sphere fluid described by the Enskog equation. The idea is to use the Navier-Stokes hydrodynamic equations but taking the temperature in the direction of shock propagation rather than the actual temperature in the computation of the transport coefficients. In general, for finite densities, this theory agrees much better with Monte Carlo simulations than the Navier-Stokes and (linear) Burnett theories, in contrast to the well-known superiority of the Burnett theory for dilute gases. PMID:11970718

  2. Equilibrium Sampling of Hard Spheres up to the Jamming Density and Beyond.

    PubMed

    Berthier, Ludovic; Coslovich, Daniele; Ninarello, Andrea; Ozawa, Misaki

    2016-06-10

    We implement and optimize a particle-swap Monte Carlo algorithm that allows us to thermalize a polydisperse system of hard spheres up to unprecedentedly large volume fractions, where previous algorithms and experiments fail to equilibrate. We show that no glass singularity intervenes before the jamming density, which we independently determine through two distinct nonequilibrium protocols. We demonstrate that equilibrium fluid and nonequilibrium jammed states can have the same density, showing that the jamming transition cannot be the end point of the fluid branch. PMID:27341260

  3. Glass-transition properties of Yukawa potentials: from charged point particles to hard spheres.

    PubMed

    Yazdi, Anoosheh; Ivlev, Alexei; Khrapak, Sergey; Thomas, Hubertus; Morfill, Gregor E; Löwen, Hartmut; Wysocki, Adam; Sperl, Matthias

    2014-06-01

    The glass transition is investigated in three dimensions for single and double Yukawa potentials for the full range of control parameters. For vanishing screening parameter, the limit of the one-component plasma is obtained; for large screening parameters and high coupling strengths, the glass-transition properties cross over to the hard-sphere system. Between the two limits, the entire transition diagram can be described by analytical functions. Unlike other potentials, the glass-transition and melting lines for Yukawa potentials are found to follow shifted but otherwise identical curves in control-parameter space. PMID:25019902

  4. Crystal nucleation of hard spheres using molecular dynamics, umbrella sampling, and forward flux sampling: A comparison of simulation techniques

    NASA Astrophysics Data System (ADS)

    Filion, L.; Hermes, M.; Ni, R.; Dijkstra, M.

    2010-12-01

    Over the last number of years several simulation methods have been introduced to study rare events such as nucleation. In this paper we examine the crystal nucleation rate of hard spheres using three such numerical techniques: molecular dynamics, forward flux sampling, and a Bennett-Chandler-type theory where the nucleation barrier is determined using umbrella sampling simulations. The resulting nucleation rates are compared with the experimental rates of Harland and van Megen [Phys. Rev. E 55, 3054 (1997)], Sinn et al. [Prog. Colloid Polym. Sci. 118, 266 (2001)], Schätzel and Ackerson [Phys. Rev. E 48, 3766 (1993)], and the predicted rates for monodisperse and 5% polydisperse hard spheres of Auer and Frenkel [Nature 409, 1020 (2001)]. When the rates are examined in units of the long-time diffusion coefficient, we find agreement between all the theoretically predicted nucleation rates, however, the experimental results display a markedly different behavior for low supersaturation. Additionally, we examined the precritical nuclei arising in the molecular dynamics, forward flux sampling, and umbrella sampling simulations. The structure of the nuclei appears independent of the simulation method, and in all cases, the nuclei contains on average significantly more face-centered-cubic ordered particles than hexagonal-close-packed ordered particles.

  5. Demixing and nematic behaviour of oblate hard spherocylinders and hard spheres mixtures: Monte Carlo simulation and Parsons-Lee theory

    NASA Astrophysics Data System (ADS)

    Gámez, Francisco; Acemel, Rafael D.; Cuetos, Alejandro

    2013-10-01

    Parsons-Lee approach is formulated for the isotropic-nematic transition in a binary mixture of oblate hard spherocylinders and hard spheres. Results for the phase coexistence and for the equation of state in both phases for fluids with different relative size and composition ranges are presented. The predicted behaviour is in agreement with Monte Carlo simulations in a qualitative fashion. The study serves to provide a rational view of how to control key aspects of the behaviour of these binary nematogenic colloidal systems. This behaviour can be tuned with an appropriate choice of the relative size and molar fractions of the depleting particles. In general, the mixture of discotic and spherical particles is stable against demixing up to very high packing fractions. We explore in detail the narrow geometrical range where demixing is predicted to be possible in the isotropic phase. The influence of molecular crowding effects on the stability of the mixture when spherical molecules are added to a system of discotic colloids is also studied.

  6. Anisotropic diffusion of concentrated hard-sphere colloids near a hard wall studied by evanescent wave dynamic light scattering

    NASA Astrophysics Data System (ADS)

    Michailidou, V. N.; Swan, J. W.; Brady, J. F.; Petekidis, G.

    2013-10-01

    Evanescent wave dynamic light scattering and Stokesian dynamics simulations were employed to study the dynamics of hard-sphere colloidal particles near a hard wall in concentrated suspensions. The evanescent wave averaged short-time diffusion coefficients were determined from experimental correlation functions over a range of scattering wave vectors and penetration depths. Stokesian dynamics simulations performed for similar conditions allow a direct comparison of both the short-time self- and collective diffusivity. As seen earlier [V. N. Michailidou, G. Petekidis, J. W. Swan, and J. F. Brady, Phys. Rev. Lett. 102, 068302 (2009)] while the near wall dynamics in the dilute regime slow down compared to the free bulk diffusion, the reduction is negligible at higher volume fractions due to an interplay between the particle-wall and particle-particle hydrodynamic interactions. Here, we provide a comprehensive comparison between experiments and simulations and discuss the interplay of particle-wall and particle-particle hydrodynamics in the self- and cooperative dynamics determined at different scattering wave vectors and penetration depths.

  7. Transport coefficients of a granular gas of inelastic rough hard spheres

    NASA Astrophysics Data System (ADS)

    Kremer, Gilberto M.; Santos, Andrés; Garzó, Vicente

    2014-08-01

    The Boltzmann equation for inelastic and rough hard spheres is considered as a model of a dilute granular gas. In this model, the collisions are characterized by constant coefficients of normal and tangential restitution, and hence the translational and rotational degrees of freedom are coupled. A normal solution to the Boltzmann equation is obtained by means of the Chapman-Enskog method for states near the homogeneous cooling state. The analysis is carried out to first order in the spatial gradients of the number density, the flow velocity, and the granular temperature. The constitutive equations for the momentum and heat fluxes and for the cooling rate are derived, and the associated transport coefficients are expressed in terms of the solutions of linear integral equations. For practical purposes, a first Sonine approximation is used to obtain explicit expressions of the transport coefficients as nonlinear functions of both coefficients of restitution and the moment of inertia. Known results for purely smooth inelastic spheres and perfectly elastic and rough spheres are recovered in the appropriate limits.

  8. Physics of Hard Sphere Experiment: Scattering, Rheology and Microscopy Study of Colloidal Particles

    NASA Technical Reports Server (NTRS)

    Cheng, Z.-D.; Zhu, J.; Phan, S.-E.; Russel, W. B.; Chaikin, P. M.; Meyer, W. V.

    2002-01-01

    The Physics of Hard Sphere Experiment has two incarnations: the first as a scattering and rheology experiment on STS-83 and STS-94 and the second as a microscopy experiment to be performed in the future on LMM on the space station. Here we describe some of the quantitative and qualitative results from previous flights on the dynamics of crystallization in microgravity and especially the observed interaction of growing crystallites in the coexistance regime. To clarify rheological measurements we also present ground based experiments on the low shear rate viscosity and diffusion coefficient of several hard sphere experiments at high volume fraction. We also show how these experiments will be performed with confocal microscopy and laser tweezers in our lab and as preparation for the phAse II experiments on LMM. One of the main aims of the microscopy study will be the control of colloidal samples using an array of applied fields with an eye toward colloidal architectures. Temperature gradients, electric field gradients, laser tweezers and a variety of switchable imposed surface patterns are used toward this control.

  9. Multicomponent adhesive hard sphere models and short-ranged attractive interactions in colloidal or micellar solutions

    NASA Astrophysics Data System (ADS)

    Gazzillo, Domenico; Giacometti, Achille; Fantoni, Riccardo; Sollich, Peter

    2006-11-01

    We investigate the dependence of the stickiness parameters tij=1/(12τij) —where the τij are the conventional Baxter parameters—on the solute diameters σi and σj in multicomponent sticky hard sphere (SHS) models for fluid mixtures of mesoscopic neutral particles. A variety of simple but realistic interaction potentials, utilized in the literature to model short-ranged attractions present in real solutions of colloids or reverse micelles, is reviewed. We consider: (i) van der Waals attractions, (ii) hard-sphere-depletion forces, (iii) polymer-coated colloids, and (iv) solvation effects (in particular hydrophobic bonding and attractions between reverse micelles of water-in-oil microemulsions). We map each of these potentials onto an equivalent SHS model by requiring the equality of the second virial coefficients. The main finding is that, for most of the potentials considered, the size-dependence of tij(T,σi,σj) can be approximated by essentially the same expression, i.e., a simple polynomial in the variable σiσj/σij2 , with coefficients depending on the temperature T , or—for depletion interactions—on the packing fraction η0 of the depletant particles.

  10. Simulation of nucleation in almost hard-sphere colloids: The discrepancy between experiment and simulation persists

    NASA Astrophysics Data System (ADS)

    Filion, L.; Ni, R.; Frenkel, D.; Dijkstra, M.

    2011-04-01

    In this paper we examine the phase behavior of the Weeks-Chandler-Andersen (WCA) potential with βɛ = 40. Crystal nucleation in this model system was recently studied by Kawasaki and Tanaka [Proc. Natl. Acad. Sci. U.S.A. 107, 14036 (2010)], 10.1021/pr100656u, who argued that the computed nucleation rates agree well with experiment, a finding that contradicted earlier simulation results. Here we report an extensive numerical study of crystallization in the WCA model, using three totally different techniques (Brownian dynamics, umbrella sampling, and forward flux sampling). We find that all simulations yield essentially the same nucleation rates. However, these rates differ significantly from the values reported by Kawasaki and Tanaka and hence we argue that the huge discrepancy in nucleation rates between simulation and experiment persists. When we map the WCA model onto a hard-sphere system, we find good agreement between the present simulation results and those that had been obtained for hard spheres [L. Filion, M. Hermes, R. Ni, and M. Dijkstra, J. Chem. Phys. 133, 244115 (2010), 10.1063/1.3506838; S. Auer and D. Frenkel, Nature 409, 1020 (2001), 10.1038/35059035].

  11. Hard-sphere fluid adsorbed in an annular wedge: The depletion force of hard-body colloidal physics

    NASA Astrophysics Data System (ADS)

    Herring, A. R.; Henderson, J. R.

    2007-01-01

    Many important issues of colloidal physics can be expressed in the context of inhomogeneous fluid phenomena. When two large colloids approach one another in solvent, they interact at least partly by the response of the solvent to finding itself adsorbed in the annular wedge formed between the two colloids. At shortest range, this fluid mediated interaction is known as the depletion force/interaction because solvent is squeezed out of the wedge when the colloids approach closer than the diameter of a solvent molecule. An equivalent situation arises when a single colloid approaches a substrate/wall. Accurate treatment of this interaction is essential for any theory developed to model the phase diagrams of homogeneous and inhomogeneous colloidal systems. The aim of our paper is a test of whether or not we possess sufficient knowledge of statistical mechanics that can be trusted when applied to systems of large size asymmetry and the depletion force in particular. When the colloid particles are much larger than a solvent diameter, the depletion force is dominated by the effective two-body interaction experienced by a pair of solvated colloids. This low concentration limit of the depletion force has therefore received considerable attention. One route, which can be rigorously based on statistical mechanical sum rules, leads to an analytic result for the depletion force when evaluated by a key theoretical tool of colloidal science known as the Derjaguin approximation. A rival approach has been based on the assumption that modern density functional theories (DFT) can be trusted for systems of large size asymmetry. Unfortunately, these two theoretical predictions differ qualitatively for hard sphere models, as soon as the solvent density is higher than about 2/3 that at freezing. Recent theoretical attempts to understand this dramatic disagreement have led to the proposal that the Derjaguin and DFT routes represent opposite limiting behavior, for very large size asymmetry

  12. Jamming II: Edwards’ statistical mechanics of random packings of hard spheres

    NASA Astrophysics Data System (ADS)

    Wang, Ping; Song, Chaoming; Jin, Yuliang; Makse, Hernán A.

    2011-02-01

    The problem of finding the most efficient way to pack spheres has an illustrious history, dating back to the crystalline arrays conjectured by Kepler and the random geometries explored by Bernal in the 1960s. This problem finds applications spanning from the mathematician’s pencil, the processing of granular materials, the jamming and glass transitions, all the way to fruit packing in every grocery. There are presently numerous experiments showing that the loosest way to pack spheres gives a density of ∼55% (named random loose packing, RLP) while filling all the loose voids results in a maximum density of ∼63%-64% (named random close packing, RCP). While those values seem robustly true, to this date there is no well-accepted physical explanation or theoretical prediction for them. Here we develop a common framework for understanding the random packings of monodisperse hard spheres whose limits can be interpreted as the experimentally observed RLP and RCP. The reason for these limits arises from a statistical picture of jammed states in which the RCP can be interpreted as the ground state of the ensemble of jammed matter with zero compactivity, while the RLP arises in the infinite compactivity limit. We combine an extended statistical mechanics approach ‘a la Edwards’ (where the role traditionally played by the energy and temperature in thermal systems is substituted by the volume and compactivity) with a constraint on mechanical stability imposed by the isostatic condition. We show how such approaches can bring results that can be compared to experiments and allow for an exploitation of the statistical mechanics framework. The key result is the use of a relation between the local Voronoi volumes of the constituent grains (denoted the volume function) and the number of neighbors in contact that permits us to simply combine the two approaches to develop a theory of volume fluctuations in jammed matter. Ultimately, our results lead to a phase diagram that

  13. Rovibrationally Inelastic Atom-Molecule Collision Cross Sections from a Hard Sphere Model

    NASA Astrophysics Data System (ADS)

    Lashner, Jacob; Stewart, Brian

    2016-05-01

    Hard-shell models have long been used to elucidate the principal features of molecular energy transfer and exchange reaction in the A + BC system. Nevertheless, no three-dimensional hard-shell calculation of inelastic collision cross sections has been reported. This work aims to fill that void. A particular motivation comes from our experimental results, which show the importance of equatorial impacts in the vibrational excitation process. Working with the simple hard-sphere model, we incorporated secondary impacts, defined as those in which A strikes C after striking B. Such collisions are important in systems such as Li2 - X, in which vibrational energy transfer occurs principally through side impacts. We discuss the complexity this adds to the model and present fully three-dimensional cross sections for rovibrational excitation of an initially stationary molecule in the homonuclear A + B2 system, examining the cross section as a function of the masses and radii of the atoms. We show how the features in the cross section evolve as these parameters are varied and calculate the contribution of secondary (near-equatorial) impacts to the dynamics. We compare with recent measurements in our laboratory and with the results of quasiclassical trajectories.

  14. How to Extend the Bridge Density Functional Approximation to the Confined Non-hard Sphere Fluid

    NASA Astrophysics Data System (ADS)

    Zhou, Shi-qi

    2006-08-01

    A theoretical method was proposed to extend a bridge density functional approximation (BDFA) for the non-uniform hard sphere fluid to the non-uniform Lennard-Jones (LJ) fluid. The DFT approach for LJ fluid is simple, quantitatively accurate in a wide range of coexistence phase and external field parameters. Especially, the DFT approach only needs a second order direct correlation function (DCF) of the coexistence bulk fluid as input, and is therefore applicable to the subcritical temperature region. The present theoretical method can be regarded as a non-uniform counterpart of the thermodynamic perturbation theory, in which it is not at the level of the free energy but at the level of the second order DCF.

  15. Correlation between dynamical and structural heterogeneities in colloidal hard-sphere suspensions

    NASA Astrophysics Data System (ADS)

    Golde, Sebastian; Palberg, Thomas; Schöpe, Hans Joachim

    2016-07-01

    Dynamical and structural heterogeneities have long been thought to play a key role in a unified picture of solidification in view of the two competitive processes of crystallization and vitrification. Here, we study these heterogeneities by means of a combination of dynamic and static light-scattering techniques applied to the simplest model system exhibiting crystallization and vitrification: the colloidal hard-sphere system. Our method enables us to quantify and correlate the temporal evolution of the amount of ordered clusters (precursors) and the amount of slow particles. Our analysis shows that their temporal evolutions are closely related and that there is an intimate link between structural and dynamic heterogeneities, crystal nucleation and the non-crystallization transition.

  16. Creep and aging of hard-sphere glasses under constant stress

    NASA Astrophysics Data System (ADS)

    Ballesta, P.; Petekidis, G.

    2016-04-01

    We investigate the aging behavior of glassy suspensions of nearly hard-sphere colloids submitted to a constant shear stress. For low stresses, below the yield stress, the system is subject to creep motion. As the sample ages, the shear rate exhibits a power-law decrease with time with exponents that depend on the sample age. We use a combination of rheological experiments with time-resolved photon correlation spectroscopy to investigate the time evolution of the sample dynamics under shear on various time and length scales. Long-time light-scattering experiments reveal the occurrence of microscopic rearrangement events that are linked with the macroscopic strain deformation of the sample. Dynamic time sweep experiments indicate that while the internal microscopic dynamics slow down continuously with waiting time, the storage and loss moduli are almost constant after a fast, weak decrease, resembling the behavior of quenched systems with partially frozen-in stresses.

  17. Perturbation theory for multicomponent fluids based on structural properties of hard-sphere chain mixtures

    SciTech Connect

    Hlushak, Stepan

    2015-09-28

    An analytical expression for the Laplace transform of the radial distribution function of a mixture of hard-sphere chains of arbitrary segment size and chain length is used to rigorously formulate the first-order Barker-Henderson perturbation theory for the contribution of the segment-segment dispersive interactions into thermodynamics of the Lennard-Jones chain mixtures. Based on this approximation, a simple variant of the statistical associating fluid theory is proposed and used to predict properties of several mixtures of chains of different lengths and segment sizes. The theory treats the dispersive interactions more rigorously than the conventional theories and provides means for more accurate description of dispersive interactions in the mixtures of highly asymmetric components.

  18. Equation of state of sticky-hard-sphere fluids in the chemical-potential route.

    PubMed

    Rohrmann, René D; Santos, Andrés

    2014-04-01

    The coupling-parameter method, whereby an extra particle is progressively coupled to the rest of the particles, is applied to the sticky-hard-sphere fluid to obtain its equation of state in the so-called chemical-potential route (μ route). As a consistency test, the results for one-dimensional sticky particles are shown to be exact. Results corresponding to the three-dimensional case (Baxter's model) are derived within the Percus-Yevick approximation by using different prescriptions for the dependence of the interaction potential of the extra particle on the coupling parameter. The critical point and the coexistence curve of the gas-liquid phase transition are obtained in the μ route and compared with predictions from other thermodynamics routes and from computer simulations. The results show that the μ route yields a general better description than the virial, energy, compressibility, and zero-separation routes. PMID:24827207

  19. Density-functional theory of elastic moduli: Hard-sphere and Lennard-Jones crystals

    NASA Astrophysics Data System (ADS)

    Jarić, Marko V.; Mohanty, Udayan

    1988-03-01

    We propose a density-functional method for calculating elastic moduli of crystalline solids. The method is based on the second-order Ramakrishnan-Yussouff (RY) expansion of the variational grand-canonical potential around a uniform liquid state. The densities of the strained and unstrained crystal are represented as sums of narrow Gaussians. We express the crystal moduli in terms of the liquid structure factor its first and second derivatives evaluated at the reciprocal-lattice points of the crystal. We evaluate the elastic moduli for fcc hard-sphere and Lennard-Jones crystals using the Percus-Yevick and computer-simulation liquid structure factors, respectively. An indirect comparison with available experimental and theoretical values shows that although our calculated moduli are accurate to an order of magnitude, higher-order terms in the RY expansion might be significant. We find important contributions from density equilibration within the strained unit cell.

  20. Direct measurement of the free energy of aging hard sphere colloidal glasses.

    PubMed

    Zargar, Rojman; Nienhuis, Bernard; Schall, Peter; Bonn, Daniel

    2013-06-21

    The nature of the glass transition is one of the most important unsolved problems in condensed matter physics. The difference between glasses and liquids is believed to be caused by very large free energy barriers for particle rearrangements; however, so far it has not been possible to confirm this experimentally. We provide the first quantitative determination of the free energy for an aging hard sphere colloidal glass. The determination of the free energy allows for a number of new insights in the glass transition, notably the quantification of the strong spatial and temporal heterogeneity in the free energy. A study of the local minima of the free energy reveals that the observed variations are directly related to the rearrangements of the particles. Our main finding is that the probability of particle rearrangements shows a power law dependence on the free energy changes associated with the rearrangements similar to the Gutenberg-Richter law in seismology. PMID:23829762

  1. Upper bound on the Edwards entropy in frictional monodisperse hard-sphere packings.

    PubMed

    Baranau, Vasili; Zhao, Song-Chuan; Scheel, Mario; Tallarek, Ulrich; Schröter, Matthias

    2016-05-01

    We extend the Widom particle insertion method [B. Widom, J. Chem. Phys., 1963, 39, 2808-2812] to determine an upper bound sub on the Edwards entropy in frictional hard-sphere packings. sub corresponds to the logarithm of the number of mechanically stable configurations for a given volume fraction and boundary conditions. To accomplish this, we extend the method for estimating the particle insertion probability through the pore-size distribution in frictionless packings [V. Baranau, et al., Soft Matter, 2013, 9, 3361-3372] to the case of frictional particles. We use computer-generated and experimentally obtained three-dimensional sphere packings with volume fractions φ in the range 0.551-0.65. We find that sub has a maximum in the vicinity of the Random Loose Packing Limit φRLP = 0.55 and decreases then monotonically with increasing φ to reach a minimum at φ = 0.65. Further on, sub does not distinguish between real mechanical stability and packings in close proximity to mechanical stable configurations. The probability to find a given number of contacts for a particle inserted in a large enough pore does not depend on φ, but it decreases strongly with the contact number. PMID:27020114

  2. A Thermodynamically-Consistent Non-Ideal Stochastic Hard-Sphere Fluid

    SciTech Connect

    Donev, A; Alder, B J; Garcia, A L

    2009-08-03

    A grid-free variant of the Direct Simulation Monte Carlo (DSMC) method is proposed, named the Isotropic DSMC (I-DSMC) method, that is suitable for simulating collision-dominated dense fluid flows. The I-DSMC algorithm eliminates all grid artifacts from the traditional DSMC algorithm and is Galilean invariant and microscopically isotropic. The stochastic collision rules in I-DSMC are modified to introduce a non-ideal structure factor that gives consistent compressibility, as first proposed in [Phys. Rev. Lett. 101:075902 (2008)]. The resulting Stochastic Hard Sphere Dynamics (SHSD) fluid is empirically shown to be thermodynamically identical to a deterministic Hamiltonian system of penetrable spheres interacting with a linear core pair potential, well-described by the hypernetted chain (HNC) approximation. We develop a kinetic theory for the SHSD fluid to obtain estimates for the transport coefficients that are in excellent agreement with particle simulations over a wide range of densities and collision rates. The fluctuating hydrodynamic behavior of the SHSD fluid is verified by comparing its dynamic structure factor against theory based on the Landau-Lifshitz Navier-Stokes equations. We also study the Brownian motion of a nano-particle suspended in an SHSD fluid and find a long-time power-law tail in its velocity autocorrelation function consistent with hydrodynamic theory and molecular dynamics calculations.

  3. Effect of Hydrodynamic Interactions on Self-Diffusion of Quasi-Two-Dimensional Colloidal Hard Spheres.

    PubMed

    Thorneywork, Alice L; Rozas, Roberto E; Dullens, Roel P A; Horbach, Jürgen

    2015-12-31

    We compare experimental results from a quasi-two-dimensional colloidal hard sphere fluid to a Monte Carlo simulation of hard disks with small particle displacements. The experimental short-time self-diffusion coefficient D(S) scaled by the diffusion coefficient at infinite dilution, D(0), strongly depends on the area fraction, pointing to significant hydrodynamic interactions at short times in the experiment, which are absent in the simulation. In contrast, the area fraction dependence of the experimental long-time self-diffusion coefficient D(L)/D(0) is in quantitative agreement with D(L)/D(0) obtained from the simulation. This indicates that the reduction in the particle mobility at short times due to hydrodynamic interactions does not lead to a proportional reduction in the long-time self-diffusion coefficient. Furthermore, the quantitative agreement between experiment and simulation at long times indicates that hydrodynamic interactions effectively do not affect the dependence of D(L)/D(0) on the area fraction. In light of this, we discuss the link between structure and long-time self-diffusion in terms of a configurational excess entropy and do not find a simple exponential relation between these quantities for all fluid area fractions. PMID:26765032

  4. Shells of charge: a density functional theory for charged hard spheres

    NASA Astrophysics Data System (ADS)

    Roth, Roland; Gillespie, Dirk

    2016-06-01

    A functional for the electrostatic excess free-energy for charged, hard sphere fluids is proposed. The functional is derived from two complementary, but equivalent, interpretations of the mean spherical approximation (MSA). The first combines fundamental measure theory (FMT) from hard-core interactions with the idea that MSA can be interpreted in terms of the interaction spherical shells of charge. This formulation gives the free-energy density as a function of weighted densities. When all the ions have the same size, the functional adopts an FMT-like form. The second in effect ‘functionalizes’ the derivation of MSA; that is, it generalizes the MSA as a functional-based version of MSA (fMSA). This formulation defines the free-energy density as a function of a position-dependent MSA screening parameter and the weighted densities of the FMT approach. This FMT/fMSA functional is shown to give accurate density profiles, as compared to Monte Carlo simulations, under a wide range of ion concentrations, size asymmetries, and valences.

  5. Effect of Hydrodynamic Interactions on Self-Diffusion of Quasi-Two-Dimensional Colloidal Hard Spheres

    NASA Astrophysics Data System (ADS)

    Thorneywork, Alice L.; Rozas, Roberto E.; Dullens, Roel P. A.; Horbach, Jürgen

    2015-12-01

    We compare experimental results from a quasi-two-dimensional colloidal hard sphere fluid to a Monte Carlo simulation of hard disks with small particle displacements. The experimental short-time self-diffusion coefficient DS scaled by the diffusion coefficient at infinite dilution, D0, strongly depends on the area fraction, pointing to significant hydrodynamic interactions at short times in the experiment, which are absent in the simulation. In contrast, the area fraction dependence of the experimental long-time self-diffusion coefficient DL/D0 is in quantitative agreement with DL/D0 obtained from the simulation. This indicates that the reduction in the particle mobility at short times due to hydrodynamic interactions does not lead to a proportional reduction in the long-time self-diffusion coefficient. Furthermore, the quantitative agreement between experiment and simulation at long times indicates that hydrodynamic interactions effectively do not affect the dependence of DL/D0 on the area fraction. In light of this, we discuss the link between structure and long-time self-diffusion in terms of a configurational excess entropy and do not find a simple exponential relation between these quantities for all fluid area fractions.

  6. Shells of charge: a density functional theory for charged hard spheres.

    PubMed

    Roth, Roland; Gillespie, Dirk

    2016-06-22

    A functional for the electrostatic excess free-energy for charged, hard sphere fluids is proposed. The functional is derived from two complementary, but equivalent, interpretations of the mean spherical approximation (MSA). The first combines fundamental measure theory (FMT) from hard-core interactions with the idea that MSA can be interpreted in terms of the interaction spherical shells of charge. This formulation gives the free-energy density as a function of weighted densities. When all the ions have the same size, the functional adopts an FMT-like form. The second in effect 'functionalizes' the derivation of MSA; that is, it generalizes the MSA as a functional-based version of MSA (fMSA). This formulation defines the free-energy density as a function of a position-dependent MSA screening parameter and the weighted densities of the FMT approach. This FMT/fMSA functional is shown to give accurate density profiles, as compared to Monte Carlo simulations, under a wide range of ion concentrations, size asymmetries, and valences. PMID:27116385

  7. A Monte Carlo study of the influence of molecular flexibility on the phase diagram of a fused hard sphere model

    NASA Astrophysics Data System (ADS)

    McBride, Carl; Vega, Carlos

    2002-12-01

    A study of a rigid fully flexible fused hard sphere model [C. McBride, C. Vega, and L. G. MacDowell, Phys. Rev. E 64, 011703 (2001)] is extended to the smectic and solid branches of the phase diagram. Computer simulations have been performed for a completely rigid model composed of 15 fused hard spheres (15+0), a model of 15 fused hard spheres of which 2 monomers at one end of the model form a flexible tail (13+2), and a model consisting of 15 fused hard spheres with 5 monomers forming a flexible tail (10+5). For the 15+0 model the phase sequence isotropic-nematic-smectic A-columnar is found on compression, and the sequence solid-smectic A-nematic-isotropic on expansion. For the 13+2 model the phase sequence isotropic-nematic-smectic C is found on compression, and the sequence solid-smectic A-nematic-isotropic on expansion. For the 10+5 model the phase sequence isotropic-glass is found on compression. The expansion runs displayed the phase sequence solid-smectic A-isotropic. The introduction of flexibility was seen to stabilize the smectic A phase at the expense of the nematic phase.

  8. Extension of the BMCSL equation of state for hard spheres to the metastable disordered region: Application to the SAFT approach

    SciTech Connect

    Paricaud, P.

    2015-07-28

    A simple modification of the Boublík-Mansoori-Carnahan-Starling-Leland equation of state is proposed for an application to the metastable disordered region. The new model has a positive pole at the jamming limit and can accurately describe the molecular simulation data of pure hard in the stable fluid region and along the metastable branch. The new model has also been applied to binary mixtures hard spheres, and an excellent description of the fluid and metastable branches can be obtained by adjusting the jamming packing fraction. The new model for hard sphere mixtures can be used as the repulsive term of equations of state for real fluids. In this case, the modified equations of state give very similar predictions of thermodynamic properties as the original models, and one can remove the multiple liquid density roots observed for some versions of the Statistical Associating Fluid Theory (SAFT) at low temperature without any modification of the dispersion term.

  9. Predicting side-chain conformations of methionine using a hard-sphere model with stereochemical constraints

    NASA Astrophysics Data System (ADS)

    Virrueta, A.; Gaines, J.; O'Hern, C. S.; Regan, L.

    2015-03-01

    Current research in the O'Hern and Regan laboratories focuses on the development of hard-sphere models with stereochemical constraints for protein structure prediction as an alternative to molecular dynamics methods that utilize knowledge-based corrections in their force-fields. Beginning with simple hydrophobic dipeptides like valine, leucine, and isoleucine, we have shown that our model is able to reproduce the side-chain dihedral angle distributions derived from sets of high-resolution protein crystal structures. However, methionine remains an exception - our model yields a chi-3 side-chain dihedral angle distribution that is relatively uniform from 60 to 300 degrees, while the observed distribution displays peaks at 60, 180, and 300 degrees. Our goal is to resolve this discrepancy by considering clashes with neighboring residues, and averaging the reduced distribution of allowable methionine structures taken from a set of crystallized proteins. We will also re-evaluate the electron density maps from which these protein structures are derived to ensure that the methionines and their local environments are correctly modeled. This work will ultimately serve as a tool for computing side-chain entropy and protein stability. A. V. is supported by an NSF Graduate Research Fellowship and a Ford Foundation Fellowship. J. G. is supported by NIH training Grant NIH-5T15LM007056-28.

  10. 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.

  11. Low-shear Viscosity and Diffusion of Hard-sphere Dispersion at High Concentration

    NASA Astrophysics Data System (ADS)

    Cheng, Zhengdong; Chaikin, P. M.; Phan, See-Eng; Zhu, Jixiang; Russel, W. B.

    1997-03-01

    We are interested in the rheology of hard-sphere dispersion at high concentration, especially the asymptotic behavior near the glass transition, which is the ideal place to test various theories.(J.F. Brady, J. Chem. phys. 99(1993)567) (M. Tokuyama and I. Oppenheim, Phys. Rev. E. 50(1994)R16) The dispersion studied is silica in Ethylene glycol/Glycerol/NaCl. Low-shear viscosity is measured by a Zimm viscometer. The data are consistent with recent PMMA measurement at low concentration(P.N. Segreet. al.), Phys. Rev. Lett. 75(1995)958; 76(1996)585 (See-eng Phan et. al.), Phys. rev. E., to be published., and at high concentration (metastable state) are better described by the Doolittle equation as in earlier experiments (L. Marshall, C.F. Zukoski IV, J. Phys. Chem. 94(1990)1164) (L.V. Woodcock, C.A. Angell, Phys. Rev. Lett. 47(1981)1129)). No theory yet gives a complete interpretion of the data. Dynamic light scattering (ensemble averaged) is used to measure self diffusion.

  12. Disappearance of a Stacking Fault in Hard-Sphere Crystals under Gravity

    NASA Astrophysics Data System (ADS)

    Mori, A.; Suzuki, Y.; Matsuo, S.

    In the first part of this paper, a review is given on the mechanismfor the disappearance of an intrinsic stacking fault in a hard-sphere (HS) crystal under gravity, which we recently discovered by Monte Carlo (MC) simulations [A. Mori et al., J. Chem. Phys. 124 (2006), 17450; Mol. Phys. 105 (2007), 1377]. We have observed, in the case of fcc (001) stacking, that the intrinsic stacking fault running along an oblique direction shrunk through the gliding of a Shockley partial dislocation at the lower end of the stacking fault. In order to address the shortcomings and approximations of previous simulations, such as the use of periodic ] boundary condition (PBC) and the fact that the fcc (001) stacking had been realized by the stress from the small PBC box, we present an elastic strain energy calculation for an infinite system and a MC simulation result for HSs in a pyramidal pit under gravity. In particular, the geometry of the latter has already been tested experi mentally [S. Matsuo et al., Appl. Phys. Lett. 82 (2003), 4283]. The advantage of using a pyramidal pit as a template as well as the feasibility of the mechanism we describe is demonstrated.

  13. Variational Monte Carlo study of soliton excitations in hard-sphere Bose gases

    NASA Astrophysics Data System (ADS)

    Rota, R.; Giorgini, S.

    2015-10-01

    By using a full many-body approach, we calculate the excitation energy, the effective mass, and the density profile of soliton states in a three-dimensional Bose gas of hard spheres at zero temperature. The many-body wave function used to describe the soliton contains a one-body term, derived from the solution of the Gross-Pitaevskii equation, and a two-body Jastrow term, which accounts for the repulsive correlations between atoms. We optimize the parameters in the many-body wave function via a variational Monte Carlo procedure, calculating the grand-canonical energy and the canonical momentum of the system in a moving reference frame where the soliton is stationary. As the density of the gas is increased, significant deviations from the mean-field predictions are found for the excitation energy and the density profile of both dark and gray solitons. In particular, the soliton effective mass m* and the mass m Δ N of missing particles in the region of the density depression are smaller than the result from the Gross-Pitaevskii equation, their ratio, however, being well reproduced by this theory up to large values of the gas parameter. We also calculate the profile of the condensate density around the soliton notch, finding good agreement with the prediction of the local-density approximation.

  14. Cavity averages for hard spheres in the presence of polydispersity and incomplete data.

    PubMed

    Schindler, Michael; Maggs, A C

    2015-09-01

    We develop a cavity-based method which allows to extract thermodynamic properties from position information in hard-sphere/disk systems. So far, there are available-volume and free-volume methods. We add a third one, which we call available volume after take-out, and which is shown to be mathematically equivalent to the others. In applications, where data sets are finite, all three methods show limitations, and they do this in different parameter ranges. We illustrate the principal equivalence and the limitations on data from molecular dynamics: In particular, we test robustness against missing data. We have in mind experimental limitations where there is a small polydispersity, say 4% in the particle radii, but individual radii cannot be determined. We observe that, depending on the used method, the errors in such a situation are easily 100% for the pressure and 10kT for the chemical potentials. Our work is meant as guideline to the experimentalists for choosing the right one of the three methods, in order to keep the outcome of experimental data analysis meaningful. PMID:26359237

  15. How to predict polydisperse hard-sphere mixture behavior using maximally equivalent tridisperse systems

    NASA Astrophysics Data System (ADS)

    Ogarko, Vitaliy; Luding, Stefan

    2013-03-01

    Polydisperse hard sphere mixtures have equilibrium properties which essentially depend on the number density and a reduced number K of moments of the size distribution function. Such systems are equivalent to other systems with different size distributions if the K moments are matched. In particular, a small number s of components, such that 2 s - 1 = K is sufficient to mimic systems with continuous size distributions. For most of the fluid phase K = 3 moments (s = 2 components) are enough to define an equivalent system, while in the glassy states one needs K = 5 moments (s = 3 components) to achieve good agreement between the polydisperse and its maximally-equivalent tridisperse system. With K = 5 matched moments they are also close in number- and volume-fractions of rattlers. Finally, also the jamming density of maximally-equivalent jammed packings is very close, where the tiny differences can be explained by the distribution of rattlers. This research is supported by the Dutch Technology Foundation STW, which is the applied science division of NWO, and the Technology Programme of the Ministry of Economic Affairs, project Nr. STW-MUST 10120.

  16. Crystal nucleation in the hard-sphere system revisited: a critical test of theoretical approaches.

    PubMed

    Tóth, Gyula I; Gránásy, László

    2009-04-16

    The hard-sphere system is the best known fluid that crystallizes: the solid-liquid interfacial free energy, the equations of state, and the height of the nucleation barrier are known accurately, offering a unique possibility for a quantitative validation of nucleation theories. A recent significant downward revision of the interfacial free energy from approximately 0.61kT/sigma(2) to (0.56 +/- 0.02)kT/sigma(2) [Davidchack, R.; Morris, J. R.; Laird, B. B. J. Chem. Phys. 2006, 125, 094710] necessitates a re-evaluation of theoretical approaches to crystal nucleation. This has been carried out for the droplet model of the classical nucleation theory (CNT), the self-consistent classical theory (SCCT), a phenomenological diffuse interface theory (DIT), and single- and two-field variants of the phase field theory that rely on either the usual double-well and interpolation functions (PFT/S1 and PFT/S2, respectively) or on a Ginzburg-Landau expanded free energy that reflects the crystal symmetries (PFT/GL1 and PFT/GL2). We find that the PFT/GL1, PFT/GL2, and DIT models predict fairly accurately the height of the nucleation barrier known from Monte Carlo simulations in the volume fraction range of 0.52 < varphi < 0.54, whereas the CNT, SCCT, PFT/S1, and PFT/S2 models underestimate it significantly. PMID:19320450

  17. Fused hard-sphere chain molecules: Comparison between Monte Carlo simulation for the bulk pressure and generalized Flory theories

    SciTech Connect

    Costa, L.A.; Zhou, Y.; Hall, C.K.; Carra, S.

    1995-04-15

    We report Monte Carlo simulation results for the bulk pressure of fused-hard-sphere (FHS) chain fluids with bond-length-to-bead-diameter ratios {approx} 0.4 at chain lengths {ital n}=4, 8 and 16. We also report density profiles for FHS chain fluids at a hard wall. The results for the compressibility factor are compared to results from extensions of the Generalized Flory (GF) and Generalized Flory Dimer (GFD) theories proposed by Yethiraj {ital et} {ital al}. and by us. Our new GF theory, GF-AB, significantly improves the prediction of the bulk pressure of fused-hard-sphere chains over the GFD theories proposed by Yethiraj {ital et} {ital al}. and by us although the GFD theories give slightly better low-density results. The GFD-A theory, the GFD-B theory and the new theories (GF-AB, GFD-AB, and GFD-AC) satisfy the exact zero-bonding-length limit. All theories considered recover the GF or GFD theories at the tangent hard-sphere chain limit.

  18. A Local Approximation of Fundamental Measure Theory Incorporated into Three Dimensional Poisson-Nernst-Planck Equations to Account for Hard Sphere Repulsion Among Ions

    NASA Astrophysics Data System (ADS)

    Qiao, Yu; Liu, Xuejiao; Chen, Minxin; Lu, Benzhuo

    2016-04-01

    The hard sphere repulsion among ions can be considered in the Poisson-Nernst-Planck (PNP) equations by combining the fundamental measure theory (FMT). To reduce the nonlocal computational complexity in 3D simulation of biological systems, a local approximation of FMT is derived, which forms a local hard sphere PNP (LHSPNP) model. In the derivation, the excess chemical potential from hard sphere repulsion is obtained with the FMT and has six integration components. For the integrands and weighted densities in each component, Taylor expansions are performed and the lowest order approximations are taken, which result in the final local hard sphere (LHS) excess chemical potential with four components. By plugging the LHS excess chemical potential into the ionic flux expression in the Nernst-Planck equation, the three dimensional LHSPNP is obtained. It is interestingly found that the essential part of free energy term of the previous size modified model (Borukhov et al. in Phys Rev Lett 79:435-438, 1997; Kilic et al. in Phys Rev E 75:021502, 2007; Lu and Zhou in Biophys J 100:2475-2485, 2011; Liu and Eisenberg in J Chem Phys 141:22D532, 2014) has a very similar form to one term of the LHS model, but LHSPNP has more additional terms accounting for size effects. Equation of state for one component homogeneous fluid is studied for the local hard sphere approximation of FMT and is proved to be exact for the first two virial coefficients, while the previous size modified model only presents the first virial coefficient accurately. To investigate the effects of LHS model and the competitions among different counterion species, numerical experiments are performed for the traditional PNP model, the LHSPNP model, the previous size modified PNP (SMPNP) model and the Monte Carlo simulation. It's observed that in steady state the LHSPNP results are quite different from the PNP results, but are close to the SMPNP results under a wide range of boundary conditions. Besides, in both

  19. Ultrasmooth submicrometer carbon spheres as lubricant additives for friction and wear reduction.

    PubMed

    Alazemi, Abdullah A; Etacheri, Vinodkumar; Dysart, Arthur D; Stacke, Lars-Erik; Pol, Vilas G; Sadeghi, Farshid

    2015-03-11

    Ultrasmooth submicrometer carbon spheres are demonstrated as an efficient additive for improving the tribological performance of lubricating oils. Carbon spheres with ultrasmooth surfaces are fabricated by ultrasound assisted polymerization of resorcinol and formaldehyde followed by controlled heat treatment. The tribological behavior of the new lubricant mixture is investigated in the boundary and mixed lubrication regimes using a pin-on-disk apparatus and cylinder-on-disk tribometer, respectively. The new lubricant composition containing 3 wt % carbon spheres suspended in a reference SAE 5W30 engine oil exhibited a substantial reduction in friction and wear (10-25%) compared to the neat oil, without change in the viscosity. Microscopic and spectroscopic investigation of the carbon spheres after the tribological experiments illustrated their excellent mechanical and chemical stability. The significantly better tribological performance of the hybrid lubricant is attributed to the perfectly spherical shape and ultrasmooth surface of carbon sphere additive filling the gap between surfaces and acting as a nanoscale ball bearing. PMID:25690952

  20. Modeling diffusion in colloidal suspensions by dynamical density functional theory using fundamental measure theory of hard spheres

    NASA Astrophysics Data System (ADS)

    Stopper, Daniel; Marolt, Kevin; Roth, Roland; Hansen-Goos, Hendrik

    2015-08-01

    We study the dynamics of colloidal suspensions of hard spheres that are subject to Brownian motion in the overdamped limit. We obtain the time evolution of the self- and distinct parts of the van Hove function by means of dynamical density functional theory. The free-energy model for the hard-sphere fluid that we use is the very accurate White Bear II version of Rosenfeld's fundamental measure theory. However, in order to remove interactions within the self-part of the van Hove function, a nontrivial modification has to be applied to the free-energy functional. We compare our theoretical results with data that we obtain from dynamical Monte Carlo simulations, and we find that the latter are well described by our approach even for colloid packing fractions as large as 40%.

  1. Modeling diffusion in colloidal suspensions by dynamical density functional theory using fundamental measure theory of hard spheres.

    PubMed

    Stopper, Daniel; Marolt, Kevin; Roth, Roland; Hansen-Goos, Hendrik

    2015-08-01

    We study the dynamics of colloidal suspensions of hard spheres that are subject to Brownian motion in the overdamped limit. We obtain the time evolution of the self- and distinct parts of the van Hove function by means of dynamical density functional theory. The free-energy model for the hard-sphere fluid that we use is the very accurate White Bear II version of Rosenfeld's fundamental measure theory. However, in order to remove interactions within the self-part of the van Hove function, a nontrivial modification has to be applied to the free-energy functional. We compare our theoretical results with data that we obtain from dynamical Monte Carlo simulations, and we find that the latter are well described by our approach even for colloid packing fractions as large as 40%. PMID:26382387

  2. Equations of state of freely jointed hard-sphere chain fluids: Theory

    SciTech Connect

    Stell, G.; Lin, C.; Kalyuzhnyi, Y.V.

    1999-03-01

    Using the analytical solution of a multidensity integral equation solved in our previous papers [J. Chem. Phys. {bold 108}, 6513, 6525 (1998)], we derive two compressibility and two virial equations of state (EOS) for freely jointed hard-sphere chain fluids on the basis of the approximations defined by the polymer Percus{endash}Yevick (PPY) closure and of the PPY ideal-chain closure for the integral equations. We also extend a version of first-order thermodynamic perturbation theory to polymers, using a dimer fluid as the reference system, to treat mixtures of heteronuclear chain fluids and polymer solutions; the structural information of the dimer fluid is obtained from the PPY ideal-chain approximation in the complete-association limit. The attractive forces between monomers of chain molecules are treated using simple perturbation theory. We find that the compressibility EOS derived on the basis of the PPY approximation subject to the chain-connectivity condition reduces to the compressibility EOS based upon the PPY ideal-chain approximation in the complete-association limit, which is also equivalent to the EOS derived by Chiew [Mol. Phys. {bold 70}, 129 (1990)] and to the EOS derived by Kalyuzhnyi and Cummings [J. Chem. Phys. {bold 105}, 2011 (1996)]. On the other hand, the virial EOS derived on the basis of the PPY ideal-chain approximation coincides with Attard{close_quote}s virial EOS [J. Chem. Phys. {bold 102}, 5411 (1995)] only in the zero-density limit. The advantages in numerical implementation of the EOS presented in this work are also discussed, but a full quantitative assessment of our results and a detailed numerical comparison among them are made in a companion paper, as is comparison with available simulation results. {copyright} {ital 1999 American Institute of Physics.}

  3. Connection between the packing efficiency of binary hard spheres and the glass-forming ability of bulk metallic glasses.

    PubMed

    Zhang, Kai; Smith, W Wendell; Wang, Minglei; Liu, Yanhui; Schroers, Jan; Shattuck, Mark D; O'Hern, Corey S

    2014-09-01

    We perform molecular dynamics simulations to compress binary hard spheres into jammed packings as a function of the compression rate R, size ratio α, and number fraction x(S) of small particles to determine the connection between the glass-forming ability (GFA) and packing efficiency in bulk metallic glasses (BMGs). We define the GFA by measuring the critical compression rate R(c), below which jammed hard-sphere packings begin to form "random crystal" structures with defects. We find that for systems with α≳0.8 that do not demix, R(c) decreases strongly with Δϕ(J), as R(c)∼exp(-1/Δϕ(J)(2)), where Δϕ(J) is the difference between the average packing fraction of the amorphous packings and random crystal structures at R(c). Systems with α≲0.8 partially demix, which promotes crystallization, but we still find a strong correlation between R(c) and Δϕ(J). We show that known metal-metal BMGs occur in the regions of the α and x(S) parameter space with the lowest values of R(c) for binary hard spheres. Our results emphasize that maximizing GFA in binary systems involves two competing effects: minimizing α to increase packing efficiency, while maximizing α to prevent demixing. PMID:25314450

  4. Computing the acoustic radiation force exerted on a sphere using the translational addition theorem.

    PubMed

    Silva, Glauber T; Baggio, André L; Lopes, J Henrique; Mitri, Farid G

    2015-03-01

    In this paper, the translational addition theorem for spherical functions is employed to calculate the acoustic radiation force produced by an arbitrary shaped beam on a sphere arbitrarily suspended in an inviscid fluid. The procedure is also based on the partial-wave expansion method, which depends on the beam-shape and scattering coefficients. Given a set of beam-shape coefficients (BSCs) for an acoustic beam relative to a reference frame, the translational addition theorem can be used to obtain the BSCs relative to the sphere positioned anywhere in the medium. The scattering coefficients are obtained from the acoustic boundary conditions across the sphere's surface. The method based on the addition theorem is particularly useful to avoid quadrature schemes to obtain the BSCs. We use it to compute the acoustic radiation force exerted by a spherically focused beam (in the paraxial approximation) on a silicone-oil droplet (compressible fluid sphere). The analysis is carried out in the Rayleigh (i.e., the particle diameter is much smaller than the wavelength) and Mie (i.e., the particle diameter is of the order of the wavelength or larger) scattering regimes. The obtained results show that the paraxial focused beam can only trap particles in the Rayleigh scattering regime. PMID:25768823

  5. Sedimentation and Crystallization of Hard-Sphere Colloidal Suspensions: Theory and Experiment

    NASA Astrophysics Data System (ADS)

    Davis, Kevin Eugene

    Sedimentation and ultrafiltration are important processes for removing solids from suspensions. The Kynch theory describes the transient settling of non-colloidal particles forming an incompressible sediment by providing a solution to the convective conservation equation. This solution predicts the evolution of several different regions. Subsequent treatments have accounted for compressibility within the sediment. These modifications, nevertheless, rely entirely on Kynch theory for analytical description, differing only by the assumed boundary condition imposed by the sediment. We present a model of sedimentation for colloidal systems by including a diffusion term in the governing equation. In the regions above the sediment, this term acts as a small perturbation to the Kynch theory. Within the sediment, owing to the high volume fraction, diffusion is comparable to convection. Slow compression to the maximum volume fraction contrasts the incompressibility of the Kynch theory. Application of the method of matched asymptotic expansions to the conservation equation enables us to complete a description of the settling process, in particular, the volume fraction evolution within the sediment. This method is also applied to the related ultrafiltration process. Colloidal dispersions exhibit thermodynamic properties similar to molecular systems, including a hard-sphere disorder -to-order transition, i.e. freezing or crystallization, at particle volume fractions above 0.50. Throughout concentrated suspensions investigators have observed nucleation and growth of small ordered regions. Our dilute suspensions of organophilic silica in cyclohexane depend on settling to concentrate particles. In contrast to the above we observe ordered sediments produced by one-dimensional crystal growth. The slow sedimentation of small particles permits rearrangement into the iridescent ordered structure at the phase boundary. Suspensions with particle sizes of up to 0.34mum easily form fully

  6. Bending rigidity and higher-order curvature terms for the hard-sphere fluid near a curved wall.

    PubMed

    Urrutia, Ignacio

    2014-03-01

    In this work I derive analytic expressions for the curvature-dependent fluid-substrate surface tension of a hard-sphere fluid on a hard curved wall. In the first step, the curvature thermodynamic properties are found as truncated power series in the activity in terms of the exactly known second- and third-order cluster integrals of the hard-sphere fluid near spherical and cylindrical walls. These results are then expressed as packing fraction power series and transformed to different reference regions, which is equivalent to considering different positions of the dividing surface. Based on the truncated series it is shown that the bending rigidity of the system is non-null and that higher-order terms in the curvature also exist. In the second step, approximate analytic expressions for the surface tension, the Tolman length, the bending rigidity, and the Gaussian rigidity as functions of the packing fraction are found by considering the known terms of the series expansion complemented with a simple fitting approach. It is found that the obtained formulas accurately describe the curvature thermodynamic properties of the system; further, they are more accurate than any previously published expressions. PMID:24730805

  7. Coordinated Hard Sphere Mixture (CHaSM): A simplified model for oxide and silicate melts at mantle pressures and temperatures

    NASA Astrophysics Data System (ADS)

    Wolf, Aaron S.; Asimow, Paul D.; Stevenson, David J.

    2015-08-01

    We develop a new model to understand and predict the behavior of oxide and silicate melts at extreme temperatures and pressures, including deep mantle conditions like those in the early Earth magma ocean. The Coordinated Hard Sphere Mixture (CHaSM) is based on an extension of the hard sphere mixture model, accounting for the range of coordination states available to each cation in the liquid. By utilizing approximate analytic expressions for the hard sphere model, this method is capable of predicting complex liquid structure and thermodynamics while remaining computationally efficient, requiring only minutes of calculation time on standard desktop computers. This modeling framework is applied to the MgO system, where model parameters are trained on a collection of crystal polymorphs, producing realistic predictions of coordination evolution and the equation of state of MgO melt over a wide range of pressures and temperatures. We find that the typical coordination number of the Mg cation evolves continuously upward from 5.25 at 0 GPa to 8.5 at 250 GPa. The results produced by CHaSM are evaluated by comparison with predictions from published first-principles molecular dynamics calculations, indicating that CHaSM is accurately capturing the dominant physics controlling the behavior of oxide melts at high pressure. Finally, we present a simple quantitative model to explain the universality of the increasing Grüneisen parameter trend for liquids, which directly reflects their progressive evolution toward more compact solid-like structures upon compression. This general behavior is opposite that of solid materials, and produces steep adiabatic thermal profiles for silicate melts, thus playing a crucial role in magma ocean evolution.

  8. Hard-sphere dispersions: Small-wave-vector structure-factor measurements in a linear shear flow

    NASA Astrophysics Data System (ADS)

    Ackerson, Bruce J.; van der Werff, Jos; de Kruif, C. G.

    1988-06-01

    Small-scattering-wave-vector structure-factor measurements have been made for model hard-sphere suspensions undergoing a steady linear shear flow. The samples are comprised of sterically stabilized silica particles in cyclohexane and have been well characterized previously by rheological, light scattering, and neutron scattering measurements. These combined measurements provide a strict test of recent theories of microscopic order in suspensions undergoing shear and suggest a picture which unifies several intuitive notions about suspensions undergoing shear flow: distortion of the pair correlation function, clustering, layering, and nonequilibrium phase transitions.

  9. Approximation of the linearized Boltzmann collision operator for hard-sphere and inverse-power-law models

    NASA Astrophysics Data System (ADS)

    Cai, Zhenning; Torrilhon, Manuel

    2015-08-01

    A sequence of approximate linear collision models for hard-sphere and inverse-power-law gases is introduced. These models are obtained by expanding the linearized Boltzmann collision operator into series, and a practical algorithm is proposed for evaluating the coefficients in the series. The sequence is proven to be convergent to the linearized Boltzmann operator, and it established a connection between the Shakhov model and the linearized collision model. The convergence is demonstrated by solving the spatially homogeneous Boltzmann equation. By observing the magnitudes of the coefficients, simpler models are developed through removing small entries in the coefficient matrices.

  10. Equilibrium equation of state of a hard sphere binary mixture at very large densities using replica exchange Monte Carlo simulations.

    PubMed

    Odriozola, Gerardo; Berthier, Ludovic

    2011-02-01

    We use replica exchange Monte Carlo simulations to measure the equilibrium equation of state of the disordered fluid state for a binary hard sphere mixture up to very large densities where standard Monte Carlo simulations do not easily reach thermal equilibrium. For the moderate system sizes we use (up to N = 100), we find no sign of a pressure discontinuity near the location of dynamic glass singularities extrapolated using either algebraic or simple exponential divergences, suggesting they do not correspond to genuine thermodynamic glass transitions. Several scenarios are proposed for the fate of the fluid state in the thermodynamic limit. PMID:21303135

  11. Chemical potential and entropy in monodisperse and polydisperse hard-sphere fluids using Widom's particle insertion method and a pore size distribution-based insertion probability.

    PubMed

    Baranau, Vasili; Tallarek, Ulrich

    2016-06-01

    We estimate the excess chemical potential Δμ and excess entropy per particle Δs of computer-generated, monodisperse and polydisperse, frictionless hard-sphere fluids. For this purpose, we utilize the Widom particle insertion method, which for hard-sphere systems relates Δμ to the probability to successfully (without intersections) insert a particle into a system. This insertion probability is evaluated directly for each configuration of hard spheres by extrapolating to infinity the pore radii (nearest-surface) distribution and integrating its tail. The estimates of Δμ and Δs are compared to (and comply well with) predictions from the Boublík-Mansoori-Carnahan-Starling-Leland equation of state. For polydisperse spheres, we employ log-normal particle radii distributions with polydispersities δ = 0.1, 0.2, and 0.3. PMID:27276959

  12. Computational modeling of the side chain dihedral angle distributions of methionine using hard-sphere repulsive and short-range attractive interactions

    NASA Astrophysics Data System (ADS)

    Virrueta, Alejandro; O'Hern, Corey; Regan, Lynne

    Methionine (Met) is a versatile amino acid found frequently both in protein cores and at protein-protein interfaces. Thus, a complete description of the structure of Met is tantamount to a fundamental understanding of protein structure and design. In previous work, we showed that our hard-sphere dipeptide model is able to recapitulate the side chain dihedral angle distributions observed in high-resolution protein crystal structures for the 8 amino acids we have studied to date: Val, Thr, Ser, Leu, Ile, Cys, Tyr, and Phe. Using the same approach, we can predict the observed Met side chain dihedral angle distributions P (χ1) and P (χ2) , but not P (χ3) . In this manuscript, we investigate the possible origins of the discrepancy and identify the minimal additions to the hard-sphere dipeptide model necessary to quantitatively predict P (χ3) of Met. We find that applying a Lennard-Jones potential with weak attraction between hydrogen atoms is sufficient to achieve predictions that match the observed χ3 side chain dihedral angle probability distributions for Met, Nle, and Mse without negatively affecting our results for the 8 previously studied amino acids. A. V. is supported by an NSF Graduate Research Fellowship and a Ford Foundation Fellowship.

  13. Local shear viscosity of strongly inhomogeneous dense fluids: from the hard-sphere to the Lennard-Jones fluids

    NASA Astrophysics Data System (ADS)

    Hoang, Hai; Galliero, Guillaume

    2013-12-01

    This work aims at providing a tractable approach to model the local shear viscosity of strongly inhomogeneous dense fluids composed of spherical molecules, in which the density variations occur on molecular distance. The proposed scheme, which relies on the local density average model, has been applied to the quasi-hard-sphere, the Week-Chandler-Andersen and the Lennard-Jones fluids. A weight function has been developed to deal with the hard-sphere fluid given the specificities of momentum exchange. To extend the approach to the smoothly repulsive potential, we have taken into account that the non-local contributions to the viscosity due to the interactions of particles separated by a given distance are temperature dependent. Then, using a simple perturbation scheme, the approach is extended to the Lennard-Jones fluids. It is shown that the viscosity profiles of inhomogeneous dense fluids deduced from this approach are consistent with those directly computed by non-equilibrium molecular dynamics simulations.

  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. PMID:19856003

  15. Long-range weight functions in fundamental measure theory of the non-uniform hard-sphere fluid.

    PubMed

    Hansen-Goos, Hendrik

    2016-06-22

    We introduce long-range weight functions to the framework of fundamental measure theory (FMT) of the non-uniform, single-component hard-sphere fluid. While the range of the usual weight functions is equal to the hard-sphere radius R, the modified weight functions have range 3R. Based on the augmented FMT, we calculate the radial distribution function g(r) up to second order in the density within Percus' test particle theory. Consistency of the compressibility and virial routes on this level allows us to determine the free parameter γ of the theory. As a side result, we obtain a value for the fourth virial coefficient B 4 which deviates by only 0.01% from the exact result. The augmented FMT is tested for the dense fluid by comparing results for g(r) calculated via the test particle route to existing results from molecular dynamics simulations. The agreement at large distances (r  >  6R) is significantly improved when the FMT with long-range weight functions is used. In order to improve agreement close to contact (r  =  2R) we construct a free energy which is based on the accurate Carnahan-Starling equation of state, rather than the Percus-Yevick compressibility equation underlying standard FMT. PMID:27115721

  16. Monte Carlo simulation and equation of state for flexible charged hard-sphere chain fluids: Polyampholyte and polyelectrolyte solutions

    SciTech Connect

    Jiang, Hao; Adidharma, Hertanto

    2014-11-07

    The thermodynamic modeling of flexible charged hard-sphere chains representing polyampholyte or polyelectrolyte molecules in solution is considered. The excess Helmholtz energy and osmotic coefficients of solutions containing short polyampholyte and the osmotic coefficients of solutions containing short polyelectrolytes are determined by performing canonical and isobaric-isothermal Monte Carlo simulations. A new equation of state based on the thermodynamic perturbation theory is also proposed for flexible charged hard-sphere chains. For the modeling of such chains, the use of solely the structure information of monomer fluid for calculating the chain contribution is found to be insufficient and more detailed structure information must therefore be considered. Two approaches, i.e., the dimer and dimer-monomer approaches, are explored to obtain the contribution of the chain formation to the Helmholtz energy. By comparing with the simulation results, the equation of state with either the dimer or dimer-monomer approach accurately predicts the excess Helmholtz energy and osmotic coefficients of polyampholyte and polyelectrolyte solutions except at very low density. It also well captures the effect of temperature on the thermodynamic properties of these solutions.

  17. Fluids confined in wedges and by edges: Virial series for the line-thermodynamic properties of hard spheres

    NASA Astrophysics Data System (ADS)

    Urrutia, Ignacio

    2014-12-01

    This work is devoted to analyze the relation between the thermodynamic properties of a confined fluid and the shape of its confining vessel. Recently, new insights in this topic were found through the study of cluster integrals for inhomogeneous fluids that revealed the dependence on the vessel shape of the low density behavior of the system. Here, the statistical mechanics and thermodynamics of fluids confined in wedges or by edges is revisited, focusing on their cluster integrals. In particular, the well known hard sphere fluid, which was not studied in this framework so far, is analyzed under confinement and its thermodynamic properties are analytically studied up to order two in the density. Furthermore, the analysis is extended to the confinement produced by a corrugated wall. These results rely on the obtained analytic expression for the second cluster integral of the confined hard sphere system as a function of the opening dihedral angle 0 < β < 2π. It enables a unified approach to both wedges and edges.

  18. Fluids confined in wedges and by edges: Virial series for the line-thermodynamic properties of hard spheres

    SciTech Connect

    Urrutia, Ignacio

    2014-12-28

    This work is devoted to analyze the relation between the thermodynamic properties of a confined fluid and the shape of its confining vessel. Recently, new insights in this topic were found through the study of cluster integrals for inhomogeneous fluids that revealed the dependence on the vessel shape of the low density behavior of the system. Here, the statistical mechanics and thermodynamics of fluids confined in wedges or by edges is revisited, focusing on their cluster integrals. In particular, the well known hard sphere fluid, which was not studied in this framework so far, is analyzed under confinement and its thermodynamic properties are analytically studied up to order two in the density. Furthermore, the analysis is extended to the confinement produced by a corrugated wall. These results rely on the obtained analytic expression for the second cluster integral of the confined hard sphere system as a function of the opening dihedral angle 0 < β < 2π. It enables a unified approach to both wedges and edges.

  19. Elastically Cooperative Activated Hopping Theory of Relaxation in Viscous Liquids. I. General Formulation and Application to Hard Sphere Fluids.

    SciTech Connect

    Mirigian, Stephen; Schweizer, Kenneth

    2014-01-01

    We generalize the force-level nonlinear Langevin equation theory of single particle hopping to include collective effects associated with long range elastic distortion of the liquid. The activated alpha relaxation event is of a mixed spatial character, involving two distinct, but inter-related, local and collective barriers. There are no divergences at volume fractions below jamming or temperatures above zero Kelvin. The ideas are first developed and implemented analytically and numerically in the context of hard sphere fluids. In an intermediate volume fraction crossover regime, the local cage process is dominant in a manner consistent with an apparent Arrhenius behavior. The super-Arrhenius collective barrier is more strongly dependent on volume fraction, dominates the highly viscous regime, and is well described by a nonsingular law below jamming. The increase of the collective barrier is determined by the amplitude of thermal density fluctuations, dynamic shear modulus or transient localization length, and a growing microscopic jump length. Alpha relaxation time calculations are in good agreement with recent experiments and simulations on dense fluids and suspensions of hard spheres. Comparisons of the theory with elastic models and entropy crisis ideas are explored. The present work provides a foundation for constructing a quasi-universal, fit-parameter-free theory for relaxation in thermal molecular liquids over 14 orders of magnitude in time.

  20. Fluids confined in wedges and by edges: virial series for the line-thermodynamic properties of hard spheres.

    PubMed

    Urrutia, Ignacio

    2014-12-28

    This work is devoted to analyze the relation between the thermodynamic properties of a confined fluid and the shape of its confining vessel. Recently, new insights in this topic were found through the study of cluster integrals for inhomogeneous fluids that revealed the dependence on the vessel shape of the low density behavior of the system. Here, the statistical mechanics and thermodynamics of fluids confined in wedges or by edges is revisited, focusing on their cluster integrals. In particular, the well known hard sphere fluid, which was not studied in this framework so far, is analyzed under confinement and its thermodynamic properties are analytically studied up to order two in the density. Furthermore, the analysis is extended to the confinement produced by a corrugated wall. These results rely on the obtained analytic expression for the second cluster integral of the confined hard sphere system as a function of the opening dihedral angle 0 < β < 2π. It enables a unified approach to both wedges and edges. PMID:25554179

  1. Elastically cooperative activated barrier hopping theory of relaxation in viscous fluids. I. General formulation and application to hard sphere fluids

    NASA Astrophysics Data System (ADS)

    Mirigian, Stephen; Schweizer, Kenneth S.

    2014-05-01

    We generalize the force-level nonlinear Langevin equation theory of single particle hopping to include collective effects associated with long range elastic distortion of the liquid. The activated alpha relaxation event is of a mixed spatial character, involving two distinct, but inter-related, local and collective barriers. There are no divergences at volume fractions below jamming or temperatures above zero Kelvin. The ideas are first developed and implemented analytically and numerically in the context of hard sphere fluids. In an intermediate volume fraction crossover regime, the local cage process is dominant in a manner consistent with an apparent Arrhenius behavior. The super-Arrhenius collective barrier is more strongly dependent on volume fraction, dominates the highly viscous regime, and is well described by a nonsingular law below jamming. The increase of the collective barrier is determined by the amplitude of thermal density fluctuations, dynamic shear modulus or transient localization length, and a growing microscopic jump length. Alpha relaxation time calculations are in good agreement with recent experiments and simulations on dense fluids and suspensions of hard spheres. Comparisons of the theory with elastic models and entropy crisis ideas are explored. The present work provides a foundation for constructing a quasi-universal, fit-parameter-free theory for relaxation in thermal molecular liquids over 14 orders of magnitude in time.

  2. Long-range weight functions in fundamental measure theory of the non-uniform hard-sphere fluid

    NASA Astrophysics Data System (ADS)

    Hansen-Goos, Hendrik

    2016-06-01

    We introduce long-range weight functions to the framework of fundamental measure theory (FMT) of the non-uniform, single-component hard-sphere fluid. While the range of the usual weight functions is equal to the hard-sphere radius R, the modified weight functions have range 3R. Based on the augmented FMT, we calculate the radial distribution function g(r) up to second order in the density within Percus’ test particle theory. Consistency of the compressibility and virial routes on this level allows us to determine the free parameter γ of the theory. As a side result, we obtain a value for the fourth virial coefficient B 4 which deviates by only 0.01% from the exact result. The augmented FMT is tested for the dense fluid by comparing results for g(r) calculated via the test particle route to existing results from molecular dynamics simulations. The agreement at large distances (r  >  6R) is significantly improved when the FMT with long-range weight functions is used. In order to improve agreement close to contact (r  =  2R) we construct a free energy which is based on the accurate Carnahan–Starling equation of state, rather than the Percus–Yevick compressibility equation underlying standard FMT.

  3. Precise algorithm to generate random sequential addition of hard hyperspheres at saturation.

    PubMed

    Zhang, G; Torquato, S

    2013-11-01

    The study of the packing of hard hyperspheres in d-dimensional Euclidean space R^{d} has been a topic of great interest in statistical mechanics and condensed matter theory. While the densest known packings are ordered in sufficiently low dimensions, it has been suggested that in sufficiently large dimensions, the densest packings might be disordered. The random sequential addition (RSA) time-dependent packing process, in which congruent hard hyperspheres are randomly and sequentially placed into a system without interparticle overlap, is a useful packing model to study disorder in high dimensions. Of particular interest is the infinite-time saturation limit in which the available space for another sphere tends to zero. However, the associated saturation density has been determined in all previous investigations by extrapolating the density results for nearly saturated configurations to the saturation limit, which necessarily introduces numerical uncertainties. We have refined an algorithm devised by us [S. Torquato, O. U. Uche, and F. H. Stillinger, Phys. Rev. E 74, 061308 (2006)] to generate RSA packings of identical hyperspheres. The improved algorithm produce such packings that are guaranteed to contain no available space in a large simulation box using finite computational time with heretofore unattained precision and across the widest range of dimensions (2≤d≤8). We have also calculated the packing and covering densities, pair correlation function g(2)(r), and structure factor S(k) of the saturated RSA configurations. As the space dimension increases, we find that pair correlations markedly diminish, consistent with a recently proposed "decorrelation" principle, and the degree of "hyperuniformity" (suppression of infinite-wavelength density fluctuations) increases. We have also calculated the void exclusion probability in order to compute the so-called quantizer error of the RSA packings, which is related to the second moment of inertia of the average

  4. Precise algorithm to generate random sequential addition of hard hyperspheres at saturation

    NASA Astrophysics Data System (ADS)

    Zhang, G.; Torquato, S.

    2013-11-01

    The study of the packing of hard hyperspheres in d-dimensional Euclidean space Rd has been a topic of great interest in statistical mechanics and condensed matter theory. While the densest known packings are ordered in sufficiently low dimensions, it has been suggested that in sufficiently large dimensions, the densest packings might be disordered. The random sequential addition (RSA) time-dependent packing process, in which congruent hard hyperspheres are randomly and sequentially placed into a system without interparticle overlap, is a useful packing model to study disorder in high dimensions. Of particular interest is the infinite-time saturation limit in which the available space for another sphere tends to zero. However, the associated saturation density has been determined in all previous investigations by extrapolating the density results for nearly saturated configurations to the saturation limit, which necessarily introduces numerical uncertainties. We have refined an algorithm devised by us [S. Torquato, O. U. Uche, and F. H. Stillinger, Phys. Rev. EPLEEE81539-375510.1103/PhysRevE.74.061308 74, 061308 (2006)] to generate RSA packings of identical hyperspheres. The improved algorithm produce such packings that are guaranteed to contain no available space in a large simulation box using finite computational time with heretofore unattained precision and across the widest range of dimensions (2≤d≤8). We have also calculated the packing and covering densities, pair correlation function g2(r), and structure factor S(k) of the saturated RSA configurations. As the space dimension increases, we find that pair correlations markedly diminish, consistent with a recently proposed “decorrelation” principle, and the degree of “hyperuniformity” (suppression of infinite-wavelength density fluctuations) increases. We have also calculated the void exclusion probability in order to compute the so-called quantizer error of the RSA packings, which is related to the

  5. Coordinated Hard Sphere Mixture (CHaSM): A fast approximate model for oxide and silicate melts at extreme conditions

    NASA Astrophysics Data System (ADS)

    Wolf, A. S.; Asimow, P. D.; Stevenson, D. J.

    2015-12-01

    Recent first-principles calculations (e.g. Stixrude, 2009; de Koker, 2013), shock-wave experiments (Mosenfelder, 2009), and diamond-anvil cell investigations (Sanloup, 2013) indicate that silicate melts undergo complex structural evolution at high pressure. The observed increase in cation-coordination (e.g. Karki, 2006; 2007) induces higher compressibilities and lower adiabatic thermal gradients in melts as compared with their solid counterparts. These properties are crucial for understanding the evolution of impact-generated magma oceans, which are dominated by the poorly understood behavior of silicates at mantle pressures and temperatures (e.g. Stixrude et al. 2009). Probing these conditions is difficult for both theory and experiment, especially given the large compositional space (MgO-SiO2-FeO-Al2O3-etc). We develop a new model to understand and predict the behavior of oxide and silicate melts at extreme P-T conditions (Wolf et al., 2015). The Coordinated Hard Sphere Mixture (CHaSM) extends the Hard Sphere mixture model, accounting for the range of coordination states for each cation in the liquid. Using approximate analytic expressions for the hard sphere model, this fast statistical method compliments classical and first-principles methods, providing accurate thermodynamic and structural property predictions for melts. This framework is applied to the MgO system, where model parameters are trained on a collection of crystal polymorphs, producing realistic predictions of coordination evolution and the equation of state of MgO melt over a wide P-T range. Typical Mg-coordination numbers are predicted to evolve continuously from 5.25 (0 GPa) to 8.5 (250 GPa), comparing favorably with first-principles Molecular Dynamics (MD) simulations. We begin extending the model to a simplified mantle chemistry using empirical potentials (generally accurate over moderate pressure ranges, <~30 GPa), yielding predictions rooted in statistical representations of melt structure

  6. 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.

  7. Hard-sphere behavior in the dynamics of all mono-atomic liquids at the de Gennes minimum

    NASA Astrophysics Data System (ADS)

    Montfrooij, Wouter

    2016-08-01

    We show that the position of the de Gennes minimum in scattering spectra, where the dynamics of liquids shows down, is given by a hard-sphere expression for a range of mono-atomic liquids that crystallize in a close packed structure. This expression relates the position of the minimum to the number density of the liquid, without any adjustable or unknown parameters. We argue that this implies that a liquid can be viewed as a close packed structure of the cages that represent the confinement of atoms by their neighbors. We further show that some metals deviate from this expression, namely those metals that crystallize in a structure that is not close packed. Our expression should prove very useful in identifying what liquids to study in inelastic scattering experiments given that deviations from normal fluid behavior can already be predicted based on the peak position of the static structure factor.

  8. Finite-size effects in the microscopic structure of a hard-sphere fluid in a narrow cylindrical pore

    NASA Astrophysics Data System (ADS)

    Román, F. L.; White, J. A.; González, A.; Velasco, S.

    2006-04-01

    We examine the microscopic structure of a hard-sphere fluid confined to a small cylindrical pore by means of Monte Carlo simulation. In order to analyze finite-size effects, the simulations are carried out in the framework of different statistical mechanics ensembles. We find that the size effects are specially relevant in the canonical ensemble where noticeable differences are found with the results in the grand canonical ensemble (GCE) and the isothermal isobaric ensemble (IIE) which, in most situations, remain very close to the infinite system results. A customary series expansion in terms of fluctuations of either the number of particles (GCE) or the inverse volume (IIE) allows us to connect with the results of the canonical ensemble.

  9. Statistical Thermodynamics of an "Open" Hard Sphere System on the Equilibrium Fluid Isotherm: Study of Properties of the Freezing Transition Without Direct Involvement of the Equilibrium Solid Phase

    NASA Astrophysics Data System (ADS)

    Reiss, Howard; Manzanares, José A.

    2016-09-01

    Using several theoretical toolsldots (i) the nucleation theorem, (ii) an equivalent cavity, (iii) the reversible work of adding a cavity to an open hard sphere system, and (iv) the theory of "stability"... the authors estimated the density at which the hard sphere freezing transition occurs. No direct involvement of the equilibrium solid phase is involved. The reduced density \\uppi a^3ρ _f/6 (where a is the hard sphere diameter and ρ _f is the actual density at which freezing occurs) is found to be 0.4937 while the value obtained by computer simulation is 0.494. The agreement is good, but the new method still contains some approximation. However, the approximation is based on the idea that at a density just below ρ _f the fluid adopts a distorted structure resembling the solid, but different enough so that long-range order vanishes. Initial loss of stability may not be involved in every fluid-solid transition, but it may be an early step in the hard sphere and related systems.

  10. A Bhatnagar-Gross-Krook-like Model Kinetic Equation for a Granular Gas of Inelastic Rough Hard Spheres

    SciTech Connect

    Santos, Andres

    2011-05-20

    The Boltzmann collision operator for a dilute granular gas of inelastic rough hard spheres is much more intricate than its counterpart for inelastic smooth spheres. Now the one-body distribution function depends not only on the translational velocity v of the center of mass but also on the angular velocity {omega} of the particle. Moreover, the collision rules couple v and {omega}, involving not only the coefficient of normal restitution {alpha} but also the coefficient of tangential restitution {beta}. The aim of this paper is to propose an extension to inelastic rough particles of a Bhatnagar-Gross-Krook-like kinetic model previously proposed for inelastic smooth particles. The Boltzmann collision operator is replaced by the sum of three terms representing: (i) the relaxation to a two-temperature local equilibrium distribution, (ii) the action of a nonconservative drag force F proportional to v-u(u being the flow velocity), and (iii) the action of a nonconservative torque M equal to a linear combination of {omega} and {Omega}({Omega} being the mean angular velocity). The three coefficients in F and M are fixed to reproduce the Boltzmann collisional rates of change of {Omega} and of the two granular temperatures (translational and rotational). A simpler version of the model is also constructed in the form of two coupled kinetic equations for the translational and rotational velocity distributions. The kinetic model is applied to the simple shear flow steady state and the combined influence of {alpha} and {beta} on the shear and normal stresses and on the translational velocity distribution function is analyzed.

  11. Lars Onsager Prize: The mean field solution for Hard Sphere Jamming and a new scenario for the low temperature landscape of glasses

    NASA Astrophysics Data System (ADS)

    Parisi, Giorgio

    In a hard spheres systems particles cannot overlap. Increasing the density we reach a point where most of the particles are blocked and the density cannot be increased any more: this is the jamming point. The jamming point separates the phase, where all the constraint can be satisfied, from an unsatifiable phase, where spheres do have to overlap. A scaling theory of the behavior around the jamming critical point has been formulated and a few critical exponents have been introduced. The exponents are apparently super-universal, as far as they do seem to be independent from the space dimensions. The mean field version of the model (i.e. the infinite dimensions limit) has been solved analytically using broken replica symmetry techniques and the computed critical exponents have been found in a remarkable agreement with three-dimensional and two-dimensional numerical results and experiments. The theory predicts in hard spheres (in glasses) a new transition (the Gardener transition) from the replica symmetric phase to the replica broken phase at high density (at low temperature), in agreement with simulations on hard sphere systems. I will briefly discuss the possible consequences of this new picture on the very low temperature behavior of glasses in the quantum regime.

  12. The power of hard-sphere models for proteins: Understanding side-chain conformations and predicting thermodynamic stability

    NASA Astrophysics Data System (ADS)

    Zhou, Alice; O'Hern, Corey; Regan, Lynne

    2013-03-01

    We seek to dramatically improve computational protein design using minimal models that include only the dominant physical interactions. By modeling proteins with hard-sphere interactions and stereochemical constraints, we are able to explain the side-chain dihedral angle distributions for Leu, Ile, and other hydrophobic residues that are observed in protein crystal structures. We also consider inter-residue interactions on the distribution of side-chain dihedral angles for residues in the hydrophobic core of T4 lysozyme. We calculate the energetic and entropic contributions to the free energy differences between wildtype T4 lysozyme and several mutants involving Leu to Ala substitutions. We find a strong correlation between the entropy difference and the decrease in the melting temperature of the mutatants. These results emphasize that considering both entropy and enthalpy is crucial for obtaining a quantitative understanding of protein stability. NSF DMR-1006537 and PHY-1019147, the Raymond and Beverly Sackler Institute for Biological, Physical and Engineering Sciences, and Howard Hughes Medical Institute International Research Fellowship

  13. Free energy of dipolar hard spheres: The virial expansion under the presence of an external magnetic field

    NASA Astrophysics Data System (ADS)

    Elfimova, Ekaterina A.; Karavaeva, Tatyana E.; Ivanov, Alexey O.

    2014-12-01

    A method for calculation of the free energy of dipolar hard spheres under the presence of an applied magnetic field is presented. The method is based on the virial expansion in terms of density as well as the dipolar coupling constant λ, and it uses diagram technique. The formulas and the diagrams, needed to calculate the second B2 and third B3 virial coefficients, are derived up to the order of ˜λ3, and compared to the zero-field case. The formula for B2 is the same as in the zero-field case; the formula for B3, however, is different in an applied field, and a derivation is presented. This is a surprising result which is not emphasized in standard texts, but which has been noticed before in the virial expansion for flexible molecules (Caracciolo et al., 2006; Caracciolo et al., 2008). To verify the correctness of the obtained formulas, B2 and B3 were calculated within the accuracy of λ2, which were applied to initial magnetic susceptibility. The obtained expression fully coincides with the well-known theories (Morozov and Lebedev, 1990; Huke and Lücke, 2000; Ivanov and Kuznetsova, 2001), which used different methods to calculate the initial magnetic susceptibility.

  14. Near-wall dynamics of concentrated hard-sphere suspensions: comparison of evanescent wave DLS experiments, virial approximation and simulations.

    PubMed

    Liu, Yi; Bławzdziewicz, Jerzy; Cichocki, Bogdan; Dhont, Jan K G; Lisicki, Maciej; Wajnryb, Eligiusz; Young, Y-N; Lang, Peter R

    2015-10-01

    In this article we report on a study of the near-wall dynamics of suspended colloidal hard spheres over a broad range of volume fractions. We present a thorough comparison of experimental data with predictions based on a virial approximation and simulation results. We find that the virial approach describes the experimental data reasonably well up to a volume fraction of ϕ≈ 0.25 which provides us with a fast and non-costly tool for the analysis and prediction of evanescent wave DLS data. Based on this we propose a new method to assess the near-wall self-diffusion at elevated density. Here, we qualitatively confirm earlier results [Michailidou, et al., Phys. Rev. Lett., 2009, 102, 068302], which indicate that many-particle hydrodynamic interactions are diminished by the presence of the wall at increasing volume fractions as compared to bulk dynamics. Beyond this finding we show that this diminishment is different for the particle motion normal and parallel to the wall. PMID:26264420

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

    NASA Astrophysics Data System (ADS)

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

    2010-12-01

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

  16. The van Hove distribution function for brownian hard spheres: dynamical test particle theory and computer simulations for bulk dynamics.

    PubMed

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

    2010-12-14

    We describe a test particle approach based on dynamical density functional theory (DDFT) for studying the correlated time evolution of the particles that constitute a fluid. Our theory provides a means of calculating the van Hove distribution function by treating its self and distinct parts as the two components of a binary fluid mixture, with the "self " component having only one particle, the "distinct" component consisting of all the other particles, and using DDFT to calculate the time evolution of the density profiles for the two components. We apply this approach to a bulk fluid of Brownian hard spheres and compare to results for the van Hove function and the intermediate scattering function from Brownian dynamics computer simulations. We find good agreement at low and intermediate densities using the very simple Ramakrishnan-Yussouff [Phys. Rev. B 19, 2775 (1979)] approximation for the excess free energy functional. Since the DDFT is based on the equilibrium Helmholtz free energy functional, we can probe a free energy landscape that underlies the dynamics. Within the mean-field approximation we find that as the particle density increases, this landscape develops a minimum, while an exact treatment of a model confined situation shows that for an ergodic fluid this landscape should be monotonic. We discuss possible implications for slow, glassy, and arrested dynamics at high densities. PMID:21171689

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

    NASA Astrophysics Data System (ADS)

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

    2014-01-01

    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

  18. Entropy and enthalpy convergence of hydrophobic solvation beyond the hard-sphere limit

    NASA Astrophysics Data System (ADS)

    Sedlmeier, Felix; Horinek, Dominik; Netz, Roland R.

    2011-02-01

    The experimentally well-known convergence of solvation entropies and enthalpies of different small hydrophobic solutes at universal temperatures seems to indicate that hydrophobic solvation is dominated by universal water features and not so much by solute specifics. The reported convergence of the denaturing entropy of a group of different proteins at roughly the same temperature as hydrophobic solutes was consequently argued to indicate that the denaturing entropy of proteins is dominated by the hydrophobic effect and used to estimate the hydrophobic contribution to protein stability. However, this appealing picture was subsequently questioned since the initially claimed universal convergence of denaturing entropies holds only for a small subset of proteins; for a larger data collection no convergence is seen. We report extensive simulation results for the solvation of small spherical solutes in explicit water with varying solute-water potentials. We show that convergence of solvation properties for solutes of different radii exists but that the convergence temperatures depend sensitively on solute-water potential features such as stiffness of the repulsive part and attraction strength, not so much on the attraction range. Accordingly, convergence of solvation properties is only expected for solutes of a homologous series that differ in the number of one species of subunits (which attests to the additivity of solvation properties) or solutes that are characterized by similar solute-water interaction potentials. In contrast, for peptides that arguably consist of multiple groups with widely disperse interactions with water, it means that thermodynamic convergence at a universal temperature cannot be expected, in general, in agreement with experimental results.

  19. 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.

  20. Accurate prediction of hard-sphere virial coefficients B6 to B12 from a compressibility-based equation of state

    NASA Astrophysics Data System (ADS)

    Hansen-Goos, Hendrik

    2016-04-01

    We derive an analytical equation of state for the hard-sphere fluid that is within 0.01% of computer simulations for the whole range of the stable fluid phase. In contrast, the commonly used Carnahan-Starling equation of state deviates by up to 0.3% from simulations. The derivation uses the functional form of the isothermal compressibility from the Percus-Yevick closure of the Ornstein-Zernike relation as a starting point. Two additional degrees of freedom are introduced, which are constrained by requiring the equation of state to (i) recover the exact fourth virial coefficient B4 and (ii) involve only integer coefficients on the level of the ideal gas, while providing best possible agreement with the numerical result for B5. Virial coefficients B6 to B10 obtained from the equation of state are within 0.5% of numerical computations, and coefficients B11 and B12 are within the error of numerical results. We conjecture that even higher virial coefficients are reliably predicted.

  1. Accurate prediction of hard-sphere virial coefficients B6 to B12 from a compressibility-based equation of state.

    PubMed

    Hansen-Goos, Hendrik

    2016-04-28

    We derive an analytical equation of state for the hard-sphere fluid that is within 0.01% of computer simulations for the whole range of the stable fluid phase. In contrast, the commonly used Carnahan-Starling equation of state deviates by up to 0.3% from simulations. The derivation uses the functional form of the isothermal compressibility from the Percus-Yevick closure of the Ornstein-Zernike relation as a starting point. Two additional degrees of freedom are introduced, which are constrained by requiring the equation of state to (i) recover the exact fourth virial coefficient B4 and (ii) involve only integer coefficients on the level of the ideal gas, while providing best possible agreement with the numerical result for B5. Virial coefficients B6 to B10 obtained from the equation of state are within 0.5% of numerical computations, and coefficients B11 and B12 are within the error of numerical results. We conjecture that even higher virial coefficients are reliably predicted. PMID:27131556

  2. Liquid theory with high accuracy and broad applicability: Coupling parameter series expansion and non hard sphere perturbation strategy

    NASA Astrophysics Data System (ADS)

    Zhou, Shiqi

    2011-12-01

    Thermodynamic and structural properties of liquids are of fundamental interest in physics, chemistry, and biology, and perturbation approach has been fundamental to liquid theoretical approaches since the dawn of modern statistical mechanics and remains so to this day. Although thermodynamic perturbation theory (TPT) is widely used in the chemical physics community, one of the most popular versions of the TPT, i.e. Zwanzig (Zwanzig, R. W. J. Chem. Phys. 1954, 22, 1420-1426) 1st-order high temperature series expansion (HTSE) TPT and its 2nd-order counterpart under a macroscopic compressibility approximation of Barker-Henderson (Barker, J. A.; Henderson, D. J. Chem. Phys. 1967, 47, 2856-2861), have some serious shortcomings: (i) the nth-order term of the HTSE is involved with reference fluid distribution functions of order up to 2n, and the higher-order terms hence progressively become more complicated and numerically inaccessible; (ii) the performance of the HTSE rapidly deteriorates and the calculated results become even qualitatively incorrect as the temperature of interest decreases. This account deals with the developments that we have made over the last five years or so to advance a coupling parameter series expansion (CPSE) and a non hard sphere (HS) perturbation strategy that has scored some of its greatest successes in overcoming the above-mentioned difficulties. In this account (i) we expatiate on implementation details of our schemes: how input information indispensable to high-order truncation of the CPSE in both the HS and non HS perturbation schemes is calculated by an Ornstein-Zernike integral equation theory; how high-order thermodynamic quantities, such as critical parameters and excess constant volume heat capacity, are extracted from the resulting excess Helmholtz free energy with irregular and inevitable numerical errors; how to select reference potential in the non HS perturbation scheme. (ii) We give a quantitative analysis on why convergence

  3. Femtosecond laser-induced hard X-ray generation in air from a solution flow of Au nano-sphere suspension using an automatic positioning system.

    PubMed

    Hsu, Wei-Hung; Masim, Frances Camille P; Porta, Matteo; Nguyen, Mai Thanh; Yonezawa, Tetsu; Balčytis, Armandas; Wang, Xuewen; Rosa, Lorenzo; Juodkazis, Saulius; Hatanaka, Koji

    2016-09-01

    Femtosecond laser-induced hard X-ray generation in air from a 100-µm-thick solution film of distilled water or Au nano-sphere suspension was carried out by using a newly-developed automatic positioning system with 1-µm precision. By positioning the solution film for the highest X-ray intensity, the optimum position shifted upstream as the laser power increased due to breakdown. Optimized positioning allowed us to control X-ray intensity with high fidelity. X-ray generation from Au nano-sphere suspension and distilled water showed different power scaling. Linear and nonlinear absorption mechanism are analyzed together with numerical modeling of light delivery. PMID:27607607

  4. Primitive models of chemical association. IV. Polymer Percus{endash}Yevick ideal-chain approximation for heteronuclear hard-sphere chain fluids

    SciTech Connect

    Kalyuzhnyi, Y.V. |; Lin, C.; Stell, G.

    1998-04-01

    We continue here our series of studies in which integral-equation theory is developed and used for the monomer-monomer correlation functions in a fluid of multicomponent freely jointed hard-sphere polymers. In this study our approach is based on Wertheim{close_quote}s polymer Percus{endash}Yevick (PPY) theory supplemented by the ideal-chain approximation; it can be regarded as a simplified version of Wertheim{close_quote}s four-density PPY approximation for associating fluids considered in the complete-association limit. The numerical procedure of this simplified theory is much easier than that of the original Wertheim{close_quote}s four-density PPY approximation, but the degree of accuracy is reduced. The theory can also be regarded as an extension of the PPY theory for the homonuclear polymer system proposed by Chang and Sandler [J. Chem. Phys. {bold 102}, 437 (1995)]. Their work is based upon a description of a system of hard-sphere monomers that associate into a polydisperse system of chains of prescribed mean length. Our theory instead directly describes a multicomponent system of associating monomers that form monodisperse chains of prescribed length upon complete association. An analytical solution of the PPY ideal-chain approximation for the general case of a multicomponent mixture of heteronuclear hard-sphere linear chain molecules is given. Its use is illustrated by numerical results for two models of copolymer fluids, a symmetrical diblock copolymer system, and an alternating copolymer system. The comparison with Monte Carlo simulations is given to gauge the accuracy of the theory. We find for the molecules we study here that predictions of our theory for heteronuclear chain systems have the same degree of accuracy as Chang and Sandler{close_quote}s theory for homonuclear chain systems. {copyright} {ital 1998 American Institute of Physics.}

  5. Water based on a molecular model behaves like a hard-sphere solvent for a nonpolar solute when the reference interaction site model and related theories are employed.

    PubMed

    Hayashi, Tomohiko; Oshima, Hiraku; Harano, Yuichi; Kinoshita, Masahiro

    2016-09-01

    For neutral hard-sphere solutes, we compare the reduced density profile of water around a solute g(r), solvation free energy μ, energy U, and entropy S under the isochoric condition predicted by the two theories: dielectrically consistent reference interaction site model (DRISM) and angle-dependent integral equation (ADIE) theories. A molecular model for water pertinent to each theory is adopted. The hypernetted-chain (HNC) closure is employed in the ADIE theory, and the HNC and Kovalenko-Hirata (K-H) closures are tested in the DRISM theory. We also calculate g(r), U, S, and μ of the same solute in a hard-sphere solvent whose molecular diameter and number density are set at those of water, in which case the radial-symmetric integral equation (RSIE) theory is employed. The dependences of μ, U, and S on the excluded volume and solvent-accessible surface area are analyzed using the morphometric approach (MA). The results from the ADIE theory are in by far better agreement with those from computer simulations available for g(r), U, and μ. For the DRISM theory, g(r) in the vicinity of the solute is quite high and becomes progressively higher as the solute diameter d U increases. By contrast, for the ADIE theory, it is much lower and becomes further lower as d U increases. Due to unphysically positive U and significantly larger |S|, μ from the DRISM theory becomes too high. It is interesting that μ, U, and S from the K-H closure are worse than those from the HNC closure. Overall, the results from the DRISM theory with a molecular model for water are quite similar to those from the RSIE theory with the hard-sphere solvent. Based on the results of the MA analysis, we comparatively discuss the different theoretical methods for cases where they are applied to studies on the solvation of a protein. PMID:27366886

  6. Water based on a molecular model behaves like a hard-sphere solvent for a nonpolar solute when the reference interaction site model and related theories are employed

    NASA Astrophysics Data System (ADS)

    Hayashi, Tomohiko; Oshima, Hiraku; Harano, Yuichi; Kinoshita, Masahiro

    2016-09-01

    For neutral hard-sphere solutes, we compare the reduced density profile of water around a solute g(r), solvation free energy μ, energy U, and entropy S under the isochoric condition predicted by the two theories: dielectrically consistent reference interaction site model (DRISM) and angle-dependent integral equation (ADIE) theories. A molecular model for water pertinent to each theory is adopted. The hypernetted-chain (HNC) closure is employed in the ADIE theory, and the HNC and Kovalenko–Hirata (K–H) closures are tested in the DRISM theory. We also calculate g(r), U, S, and μ of the same solute in a hard-sphere solvent whose molecular diameter and number density are set at those of water, in which case the radial-symmetric integral equation (RSIE) theory is employed. The dependences of μ, U, and S on the excluded volume and solvent-accessible surface area are analyzed using the morphometric approach (MA). The results from the ADIE theory are in by far better agreement with those from computer simulations available for g(r), U, and μ. For the DRISM theory, g(r) in the vicinity of the solute is quite high and becomes progressively higher as the solute diameter d U increases. By contrast, for the ADIE theory, it is much lower and becomes further lower as d U increases. Due to unphysically positive U and significantly larger |S|, μ from the DRISM theory becomes too high. It is interesting that μ, U, and S from the K–H closure are worse than those from the HNC closure. Overall, the results from the DRISM theory with a molecular model for water are quite similar to those from the RSIE theory with the hard-sphere solvent. Based on the results of the MA analysis, we comparatively discuss the different theoretical methods for cases where they are applied to studies on the solvation of a protein.

  7. Essential roles of protein-solvent many-body correlation in solvent-entropy effect on protein folding and denaturation: Comparison between hard-sphere solvent and water

    NASA Astrophysics Data System (ADS)

    Oshima, Hiraku; Kinoshita, Masahiro

    2015-04-01

    In earlier works, we showed that the entropic effect originating from the translational displacement of water molecules plays the pivotal role in protein folding and denaturation. The two different solvent models, hard-sphere solvent and model water, were employed in theoretical methods wherein the entropic effect was treated as an essential factor. However, there were similarities and differences in the results obtained from the two solvent models. In the present work, to unveil the physical origins of the similarities and differences, we simultaneously consider structural transition, cold denaturation, and pressure denaturation for the same protein by employing the two solvent models and considering three different thermodynamic states for each solvent model. The solvent-entropy change upon protein folding/unfolding is decomposed into the protein-solvent pair (PA) and many-body (MB) correlation components using the integral equation theories. Each component is further decomposed into the excluded-volume (EV) and solvent-accessible surface (SAS) terms by applying the morphometric approach. The four physically insightful constituents, (PA, EV), (PA, SAS), (MB, EV), and (MB, SAS), are thus obtained. Moreover, (MB, SAS) is discussed by dividing it into two factors. This all-inclusive investigation leads to the following results: (1) the protein-water many-body correlation always plays critical roles in a variety of folding/unfolding processes; (2) the hard-sphere solvent model fails when it does not correctly reproduce the protein-water many-body correlation; (3) the hard-sphere solvent model becomes problematic when the dependence of the many-body correlation on the solvent number density and temperature is essential: it is not quite suited to studies on cold and pressure denaturating of a protein; (4) when the temperature and solvent number density are limited to the ambient values, the hard-sphere solvent model is usually successful; and (5) even at the ambient

  8. Essential roles of protein-solvent many-body correlation in solvent-entropy effect on protein folding and denaturation: Comparison between hard-sphere solvent and water

    SciTech Connect

    Oshima, Hiraku; Kinoshita, Masahiro

    2015-04-14

    In earlier works, we showed that the entropic effect originating from the translational displacement of water molecules plays the pivotal role in protein folding and denaturation. The two different solvent models, hard-sphere solvent and model water, were employed in theoretical methods wherein the entropic effect was treated as an essential factor. However, there were similarities and differences in the results obtained from the two solvent models. In the present work, to unveil the physical origins of the similarities and differences, we simultaneously consider structural transition, cold denaturation, and pressure denaturation for the same protein by employing the two solvent models and considering three different thermodynamic states for each solvent model. The solvent-entropy change upon protein folding/unfolding is decomposed into the protein-solvent pair (PA) and many-body (MB) correlation components using the integral equation theories. Each component is further decomposed into the excluded-volume (EV) and solvent-accessible surface (SAS) terms by applying the morphometric approach. The four physically insightful constituents, (PA, EV), (PA, SAS), (MB, EV), and (MB, SAS), are thus obtained. Moreover, (MB, SAS) is discussed by dividing it into two factors. This all-inclusive investigation leads to the following results: (1) the protein-water many-body correlation always plays critical roles in a variety of folding/unfolding processes; (2) the hard-sphere solvent model fails when it does not correctly reproduce the protein-water many-body correlation; (3) the hard-sphere solvent model becomes problematic when the dependence of the many-body correlation on the solvent number density and temperature is essential: it is not quite suited to studies on cold and pressure denaturating of a protein; (4) when the temperature and solvent number density are limited to the ambient values, the hard-sphere solvent model is usually successful; and (5) even at the ambient

  9. A variable hard sphere-based phenomenological inelastic collision model for rarefied gas flow simulations by the direct simulation Monte Carlo method

    NASA Astrophysics Data System (ADS)

    Prasanth, P. S.; Kakkassery, Jose K.; Vijayakumar, R.

    2012-04-01

    A modified phenomenological model is constructed for the simulation of rarefied flows of polyatomic non-polar gas molecules by the direct simulation Monte Carlo (DSMC) method. This variable hard sphere-based model employs a constant rotational collision number, but all its collisions are inelastic in nature and at the same time the correct macroscopic relaxation rate is maintained. In equilibrium conditions, there is equi-partition of energy between the rotational and translational modes and it satisfies the principle of reciprocity or detailed balancing. The present model is applicable for moderate temperatures at which the molecules are in their vibrational ground state. For verification, the model is applied to the DSMC simulations of the translational and rotational energy distributions in nitrogen gas at equilibrium and the results are compared with their corresponding Maxwellian distributions. Next, the Couette flow, the temperature jump and the Rayleigh flow are simulated; the viscosity and thermal conductivity coefficients of nitrogen are numerically estimated and compared with experimentally measured values. The model is further applied to the simulation of the rotational relaxation of nitrogen through low- and high-Mach-number normal shock waves in a novel way. In all cases, the results are found to be in good agreement with theoretically expected and experimentally observed values. It is concluded that the inelastic collision of polyatomic molecules can be predicted well by employing the constructed variable hard sphere (VHS)-based collision model.

  10. Design of Selective Gas Sensors Using Additive-Loaded In2O3 Hollow Spheres Prepared by Combinatorial Hydrothermal Reactions

    PubMed Central

    Kim, Sun-Jung; Hwang, In-Sung; Kang, Yun Chan; Lee, Jong-Heun

    2011-01-01

    A combinatorial hydrothermal reaction has been used to prepare pure and additive (Sb, Cu, Nb, Pd, and Ni)-loaded In2O3 hollow spheres for gas sensor applications. The operation of Pd- and Cu-loaded In2O3 sensors at 371 °C leads to selective H2S detection. Selective detection of CO and NH3 was achieved by the Ni-In2O3 sensor at sensing temperatures of 371 and 440 °C, respectively. The gas responses of six different sensors to NH3, H2S, H2, CO and CH4 produced unique gas sensing patterns that can be used for the artificial recognition of these gases. PMID:22346661

  11. Computational study of the melting-freezing transition in the quantum hard-sphere system for intermediate densities. II. Structural features.

    PubMed

    Sesé, Luis M; Bailey, Lorna E

    2007-04-28

    The structural features of the quantum hard-sphere system in the region of the fluid-face-centered-cubic-solid transition, for reduced number densities 0.45hard spheres has been performed, and some interesting differences between the classical and quantum melting-freezing transition are observed. PMID:17477616

  12. The theory of semipermeable vesicles and membranes: An integral-equation approach. I. General formalism and application to a hard-sphere mixture

    NASA Astrophysics Data System (ADS)

    Zhou, Yaoqi; Stell, George

    1988-12-01

    An exact integral-equation formalism for a system of a binary hard-sphere mixture interacting with a spherical semipermeable vesicle (SPV) and plane semipermeable membrane (SPM) is derived by using the Ornstein-Zernike (OZ) equation with appropriate closures. The Percus-Yevick (PY) closure or the hypernetted chain (HNC) closure, in which the bulk correlation is obtained by the PY approximation, are considered as examples. We refer to these as the PY/PY and HNC/PY approximations, respectively. The mixture contains solvent particles, which are permeable to the membrane, and solute particles (``protein'' or ``polymer'' particles), which can not pass through the membrane. We develop an exact general formalism for this problem and as an illustration of its use give quantative results for solvent and solute particles modeled as hard spheres of different diameters. An analytical expression for the density ratio in the PY/PY and HNC/PY approximations between two sides of a plane SPM is obtained. Results obtained from these expressions agree very well with results obtained by equating chemical potentials in the region of interest. It turns out that the protein-membrane direct correlation function can be given by a simple analytic expression for the limit of a point solvent in the PY/PY approximation. The osmotic pressure and density profiles for the system containing an ideal spherical SPV or plane SPM in the PY/PY approximation are evaluated. Extension to the nonlocal density-functional closures previously introduced by Blum and Stell is discussed. Finally, we note that certain impenetrable-wall problems previously considered elsewhere can be regarded as semipermeable membrane problems treated via McMillan-Mayer formalism in the continuum-solvent approximation.

  13. Liquid-Vapor Coexistence in the Screened Coulomb (Yukawa) Hard Sphere Binary Mixture in Disordered Porous Media: The Mean Spherical Approximation.

    PubMed

    Trokhymchuk; Orozco; Pizio; Vlachy

    1998-11-15

    The thermodynamics of a two-component fluid with a hard core interaction and screened Coulomb (Yukawa) interaction between particles, similar to the primitive model of an electrolyte solution, adsorbed in a disordered matrix of hard spheres, is studied by using replica Ornstein-Zernike integral equations and the mean spherical approximation (MSA). The gas-liquid transition is localized. The coexistence curve is investigated dependent on the range of interaction between fluid species, on matrix density, and on fluid-matrix attraction. We have observed shrinking of the coexistence envelope with increasing matrix density. The critical temperature of adsorbed mixture decreases with increasing matrix density. The critical density is less affected; however, it also decreases slightly. The critical temperature is sensitive to the fluid species-matrix attraction and depends nonmonotonously on their strength. For a given matrix microporosity, it increases slightly and then decreases with augmenting strength of fluid-matrix attraction. The critical density is less affected by this attraction. However, it decreases for the model with a sufficiently long-range tail of fluid-matrix attraction. Copyright 1998 Academic Press. PMID:9792783

  14. Effect of pentosans addition on pasting properties of flours of eight hard white spring wheat cultivars.

    PubMed

    Arif, Saqib; Ali, Tahira Mohsin; Ul Afzal, Qurat; Ahmed, Mubarik; Siddiqui, Asim Jamal; Hasnain, Abid

    2014-06-01

    The effects of water extractable pentosans (WEP) and water unextractable pentosans (WUP) on pasting properties in flours of eight different hard white spring wheat (HWSW) cultivars was studied. WEP and WUP isolated from a hard wheat flour were added to each of the cultivars at 1% and 2% level. The results indicated that WEP exhibited a pronounced effect on pasting properties as compared to WUP and variety. Univariate analysis of variance (ANOVA) was used to evaluate sources of variation. The variety significantly (P < 0.001) influenced all the pasting parameters. WUP caused significant (P < 0.001) variation in paste viscosities (except breakdown). WEP influenced more pronouncedly the hot paste, cold paste, breakdown and setback viscosities with F values-221.802, 214.286, 98.073 and 120.159, respectively. Variety-by-WEP interaction exhibited significant (P < 0.01) influence on pasting time, peak, hot paste and cold paste viscosities. Whereas, variety-by-WUP interaction only significantly (P < 0.001) influenced the pasting- time and -temperature. Duncan's test was used to analyze the significant difference (P < 0.05) within the variety. The results revealed that WUP did not induce significant (P < 0.05) influence on all the pasting parameters, whereas, WEP influenced significantly (P < 0.05) the paste viscosities of some of the varieties. It was also found that the addition of WEP remarkably reduced the setback, hot paste, cold paste viscosities and increased the breakdown viscosity in all cultivar flours. The effect of WEP was greater at higher level of supplementation on paste viscosities. PMID:24876638

  15. An analytical approximation for the orientation-dependent excluded volume of tangent hard sphere chains of arbitrary chain length and flexibility

    NASA Astrophysics Data System (ADS)

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

    2012-07-01

    Onsager-like theories are commonly used to describe the phase behavior of nematic (only orientationally ordered) liquid crystals. A key ingredient in such theories is the orientation-dependent excluded volume of two molecules. Although for hard convex molecular models this is generally known in analytical form, for more realistic molecular models that incorporate intramolecular flexibility, one has to rely on approximations or on computationally expensive Monte Carlo techniques. In this work, we provide a general correlation for the excluded volume of tangent hard-sphere chains of arbitrary chain length and flexibility. The flexibility is introduced by means of the rod-coil model. The resulting correlation is of simple analytical form and accurately covers a wide range of pure component excluded volume data obtained from Monte Carlo simulations of two-chain molecules. The extension to mixtures follows naturally by applying simple combining rules for the parameters involved. The results for mixtures are also in good agreement with data from Monte Carlo simulations. We have expressed the excluded volume as a second order power series in sin (γ), where γ is the angle between the molecular axes. Such a representation is appealing since the solution of the Onsager Helmholtz energy functional usually involves an expansion of the excluded volume in Legendre coefficients. Both for pure components and mixtures, the correlation reduces to an exact expression in the limit of completely linear chains. The expression for mixtures, as derived in this work, is thereby an exact extension of the pure component result of Williamson and Jackson [Mol. Phys. 86, 819-836 (1995)], 10.1080/00268979500102391.

  16. Computational stability ranking of mutated hydrophobic cores in staphylococcal nuclease and T4 lysozyme using hard-sphere and stereochemical constraints

    NASA Astrophysics Data System (ADS)

    Virrueta, Alejandro; Zhou, Alice; O'Hern, Corey; Regan, Lynne

    2014-03-01

    Molecular dynamics methods have significantly advanced the understanding of protein folding and stability. However, current force-fields cannot accurately calculate and rank the stability of modified or de novo proteins. One possible reason is that current force-fields use knowledge-based corrections that improve dihedral angle sampling, but do not satisfy the stereochemical constraints for amino acids. I propose the use of simple hard-sphere models for amino acids with stereochemical constraints taken from high-resolution protein crystal structures. This model can enable a correct consideration of the entropy of side-chain rotations, and may be sufficient to predict the effects of single residue mutations in the hydrophobic cores of staphylococcal nuclease and T4 lysozyme on stability changes. I will computationally count the total number of allowed side-chain conformations Ω and calculate the associated entropy, S = kBln(Ω) , before and after each mutation. I will then rank the stability of the mutated cores based on my computed entropy changes, and compare my results with structural and thermodynamic data published by the Stites and Matthews groups. If successful, this project will provide a novel framework for the evaluation of entropic protein stabilities, and serve as a possible tool for computational protein design.

  17. Molecular dynamics simulation of a piston driven shock wave in a hard sphere gas. Final Contractor ReportPh.D. Thesis

    NASA Technical Reports Server (NTRS)

    Woo, Myeung-Jouh; Greber, Isaac

    1995-01-01

    Molecular dynamics simulation is used to study the piston driven shock wave at Mach 1.5, 3, and 10. A shock tube, whose shape is a circular cylinder, is filled with hard sphere molecules having a Maxwellian thermal velocity distribution and zero mean velocity. The piston moves and a shock wave is generated. All collisions are specular, including those between the molecules and the computational boundaries, so that the shock development is entirely causal, with no imposed statistics. The structure of the generated shock is examined in detail, and the wave speed; profiles of density, velocity, and temperature; and shock thickness are determined. The results are compared with published results of other methods, especially the direct simulation Monte-Carlo method. Property profiles are similar to those generated by direct simulation Monte-Carlo method. The shock wave thicknesses are smaller than the direct simulation Monte-Carlo results, but larger than those of the other methods. Simulation of a shock wave, which is one-dimensional, is a severe test of the molecular dynamics method, which is always three-dimensional. A major challenge of the thesis is to examine the capability of the molecular dynamics methods by choosing a difficult task.

  18. Effects of sorghum flour addition on chemical and rheological properties of hard white winter wheat

    Technology Transfer Automated Retrieval System (TEKTRAN)

    This study was carried out to investigate the chemical and rheological properties of different blends prepared using hard white winter wheat and whole or decorticated sorghum. Whole and decorticated sorghum were used to replace 5, 10, 15, and 20% of wheat flour. Wheat samples had higher protein, moi...

  19. Mobile hard substrata - An additional biodiversity source in a high latitude shallow subtidal system

    NASA Astrophysics Data System (ADS)

    Balazy, Piotr; Kuklinski, Piotr

    2013-03-01

    This study demonstrates the importance of a hard mobile substratum (hermit crab shells) for Arctic biodiversity. Based on previous observations from other geographic regions we hypothesized that this niche at high latitudes would support a higher biodiversity of epifauna than might be predicted from similar substrata. We test whether the hermit crab epifauna is specific to that substratum providing unique biodiversity components to the local community. From four study sites in Isfjorden (78°N), West Spitsbergen and two study sites in Northern Norway (69°N) we collected approximately 50 each of hermit crabs, gastropods and pebbles, of visually similar surface area using SCUBA diving. Hermit crab shells were colonized by a larger number of epifaunal species than either gastropods or pebbles, even when they were of a larger size. Among 87 taxa found on all the three substrata, 22 occurred only on hermit crab shells. Except for two study sites hermit crab shells also supported more individuals. This study shows that the contribution of shells carried by hermit crabs to high-latitude, shallow-subtidal diversity is higher than might be predicted by their surface area alone and that hermit crabs modify, maintain and create a unique habitat. This is the result of a number of factors interacting positively on the presence of epifauna including shell surface heterogeneity and the complex influence of the crab host.

  20. Effect of yttrium additions on the tensile properties and hardness of an iron-nickel-chromium alloy. [LMFBR

    SciTech Connect

    Shah-Khan, M.Z.

    1981-10-01

    Results of the research work show that the addition of 0.1% yttrium does not significantly change the mechanical properties of the AL1 alloy with temperature (even though the yttrium-doped samples did show a slight increase in yield stress and hardness for tests above 700/sup 0/C); the room temperature strength of the undoped AL1 alloy increases upon annealing at temperatures above 600/sup 0/C; and the room temperature uniform and fracture strains of the undoped AL1 alloy decrease upon annealing at temperatures above 600/sup 0/C.

  1. Sphere launcher

    NASA Technical Reports Server (NTRS)

    Reed, W. B.

    1972-01-01

    The sphere launcher was designed to eject a 200 lb, 15 in. diameter sphere from a space vehicle or missile, at a velocity of 58 ft/sec without imparting excessive lateral loads to the vehicle. This launching is accomplished with the vehicle operating in vacuum conditions and under a 9 g acceleration. Two principal elements are used: a high thrust, short burn time rocket motor and two snubbers for reducing the lateral loads to acceptable limits.

  2. Effect of yttrium additions on the elevated-temperature tensile properties and hardness of an advanced iron-nickel-chromium LMFBR cladding and duct alloy

    SciTech Connect

    Song, M.H.

    1981-10-01

    The effect of the addition of yttrium on the elevated temperature tensile properties and hardness of an Fe-34% Ni-12% Cr candidate LMFBR cladding and duct alloy was investigated. Tensile tests were performed from room temperature to 800/sup 0/C in 100/sup 0/C steps at strain rates of 2.2 x 10/sup -3/ and 2.2 x 10/sup -4/ sec/sup -1/. Hardness tests were performed from room temperature to 850/sup 0/C in 50/sup 0/C steps. The addition of 0.1% yttrium decreased the yield stress and ultimate tensile stress in the test temperature range employed. Hardness also decreased over this test temperature range. In tensile tests, dynamic strain aging behavior occurred both for the undoped and doped alloy in the temperature range from 200 to 600/sup 0/C and 300 to 600/sup 0/C for the lower and higher strain rate, respectively.

  3. Additives

    NASA Technical Reports Server (NTRS)

    Smalheer, C. V.

    1973-01-01

    The chemistry of lubricant additives is discussed to show what the additives are chemically and what functions they perform in the lubrication of various kinds of equipment. Current theories regarding the mode of action of lubricant additives are presented. The additive groups discussed include the following: (1) detergents and dispersants, (2) corrosion inhibitors, (3) antioxidants, (4) viscosity index improvers, (5) pour point depressants, and (6) antifouling agents.

  4. Effects of V Addition on Microstructure and Hardness of Fe-C-B-Ni-V Hardfacing Alloys Cast on Steel Substrates

    NASA Astrophysics Data System (ADS)

    Rovatti, L.; Lemke, J. N.; Emami, A.; Stejskal, O.; Vedani, M.

    2015-12-01

    Fe-based hardfacing alloys containing high volume fraction of hard phases are a suitable material to be deposited as wear resistant thick coatings. In the case of alloys containing high amount of interstitial alloying elements, a key factor affecting the performance is dilution with the substrate induced by the coating process. The present research was focused on the analysis of V-bearing Fe-based alloys after calibrated carbon and vanadium additions (in the range from 3 to 5 wt.%) to a commercial Fe-C-B-Ni hardfacing alloy. Vanadium carbides with a petal-like morphology were observed in the high-V hypereutectic alloys allowing to reach hardness values above 700 HV. The solidification range shifted to higher temperatures with increasing amount of vanadium addition and in the case of hypereutectic alloys, the gap remains close to that of the original alloy. In the last step of the research, the microstructural evolution after dilution was analyzed by casting the V-rich alloys on a steel substrate. The dilution, caused by the alloying element diffusion and the local melting of the substrate, modified the microstructure and the hardness for a relevant volume fraction of the hardfacing alloys. In particular, the drop of interstitial elements induced the transition from the hypereutectic to the hypoeutectic microstructure and the formation of near-spherical V-rich carbides. Even after dilution, the hardness of the new alloys remained higher than that measured in the original Fe-C-B-Ni alloy.

  5. Effect of tungsten addition on the toughness and hardness of Fe{sub 2}B in wear-resistant Fe-B-C cast alloy

    SciTech Connect

    Huang, Zhifu Xing, Jiandong; Lv, Liangliang

    2013-01-15

    The effects of tungsten additions of 0%, 1.12%, 2.04%, and 3.17% (in wt.%) on the morphology, fracture toughness and micro-hardness of Fe{sub 2}B in Fe-B-C cast alloy were investigated. The results indicate that, with the increase of tungsten addition, the morphology and distribution of Fe{sub 2}B have no change and a new W-containing phase, except the (Fe, W){sub 2}B with a certain tungsten solution, does not form, and that the fracture toughness of Fe{sub 2}B increases first and then decreases, while the hardness increases first and then has a little change. Compared with the fracture toughness (3.8 MPa{center_dot}m{sup 1/2}) of Fe{sub 2}B without tungsten addition, the toughness at 2.04 wt.% tungsten can be improved by about above 80% and achieves about 6.9 MPa{center_dot}m{sup 1/2}, and variation characteristics of hardness and toughness of Fe{sub 2}B were also testified by viewing the indentation marks and cracks on the Fe{sub 2}B, respectively. - Highlights: Black-Right-Pointing-Pointer Poor toughness of Fe2B decreases obviously the wear resistance of the alloy. Black-Right-Pointing-Pointer As W content increases, Fe2B's toughness increases first and then decreases. Black-Right-Pointing-Pointer As W content increases, Fe2B's hardness first increases and then has little change. Black-Right-Pointing-Pointer The toughness at 2.04 % W can be improved by above 80% more than that at 0% W.

  6. Free Volume of the Hard Spheres Gas

    ERIC Educational Resources Information Center

    Shutler, P. M. E.; Martinez, J. C.; Springham, S. V.

    2007-01-01

    The Enskog factor [chi] plays a central role in the theory of dense gases, quantifying how the finite size of molecules causes many physical quantities, such as the equation of state, the mean free path, and the diffusion coefficient, to deviate from those of an ideal gas. We suggest an intuitive but rigorous derivation of this fact by showing how…

  7. Does an additional UV LED improve the degree of conversion and Knoop Hardness of light-shade composite resins?

    PubMed Central

    Giorgi, Maria Cecília Caldas; Aguiar, Flávio Henrique Baggio; Soares, Luís Eduardo Silva; Martin, Airton Abrahão; Liporoni, Priscila Christiane Suzy; Paulillo, Luís Alexandre Maffei Sartini

    2012-01-01

    Objective: The purpose of this study was to evaluate the degree of conversion (DC) using FT-Raman spectroscopy and the Knoop hardness (KHN) of composites cured by second and third-generation LED light curing-units (LCU), Radii Cal and Ultralume 5. Methods: Three composites (Filtek Supreme XT, Filtek Z350, and Esthet X) were selected for this study. KHN testing (n=10) was performed with 10 indentations for the top (T) and bottom (B) surfaces. For DC (n=10), both the T and B surfaces were analyzed. Results: For KHN, the three composites differed in hardens. There was a “LCU-surface” interaction, in which Radii Cal showed significantly greater hardens in the B surface. For DC, there was a “composite-surface-LCU” interaction. For the “composite” factor, there was no significant difference between the groups, except for Supreme XT-Radii Cal (T or B surfaces). For the “LCU” factor there was a significant difference for Supreme XT T surface, Ultralume 5 obtained a higher DC. For the Z350 T surface, a significant difference in the DC in which Radii Cal obtained better results. For the “surface” factor, all groups presented T surfaces with a higher DC than the B surfaces, the sole exceptions involved Esthet X-Radii Cal and Z350-Ultralume 5. Conclusion: Knowledge regarding composite composition and the characteristics of LCUs are important for effective polymerization. PMID:23077419

  8. Meeting the Needs of Deaf and Hard of Hearing Students with Additional Disabilities through Professional Teacher Development

    ERIC Educational Resources Information Center

    Bruce, Susan; DiNatale, Patrice; Ford, Jeremiah

    2008-01-01

    According to even the most conservative estimates, at least a quarter of deaf children have additional disabilities. Most teacher preparation programs do not sufficiently prepare teacher candidates for the challenges posed by these children. This article describes a professional development effort to prepare in-service educators of the deaf to…

  9. Effect of friction stir processing on the microstructure and hardness of an aluminum-zinc-magnesium-copper alloy with nickel additives

    NASA Astrophysics Data System (ADS)

    Naeem, Haider T.; Mohammed, Kahtan S.; Ahmad, Khairel R.

    2015-10-01

    The main object of this study is to investigate the effect of friction stir processing (FSP) on the microstructure and hardness of Al-Zn-Mg-Cu alloys that were produced via casting with the addition of 5 wt % nickel. Furthermore, a single-pass FSP with a rotational speed of 1500 rpm and a traveling speed of 40 mm/min was performed on the alloys. The FSP-treated cast alloys were homogenized, aged at 120°C for 24 h, retrogressed at 180°C for 30 min, and then re-aged at 120°C for 24 h. Microstructural evaluations via optical microscopy and scanning electron microscopy, as well as with energy dispersive X-ray spectroscopy were conducted. In addition, X-ray diffraction analysis was performed to detect the intermetallics and phases of the Al-Zn-Mg-Cu-Ni alloys. Before FSP, the microstructural observations indicated the presence of coarse Ni dispersed particles with a precipitate phase within the matrix. After FSP treatment, the grain refinement led to the uniform space distribution of Ni dispersed particles in the stir zone. The Vickers hardness values for the Al-Zn-Mg-Cu-Ni alloy increased after age tempering at T6 and retrogression and re-aging (RRA) treatment because of the increased precipitation and particles dispersity. The hardness of the Al-Zn-Mg-Cu-Ni alloy was enhanced after FSP and a series of heat treatments, especially the RRA process, because of the stirring action of the FSP tool, the grain refinement, the appearance of additional precipitates, and the refinement of dispersed Ni particles.

  10. Meeting the needs of deaf and hard of hearing students with additional disabilities through professional teacher development.

    PubMed

    Bruce, Susan; DiNatale, Patrice; Ford, Jeremiah

    2008-01-01

    According to even the most conservative estimates, at least a quarter of deaf children have additional disabilities. Most teacher preparation programs do not sufficiently prepare teacher candidates for the challenges posed by these children. This article describes a professional development effort to prepare in-service educators of the deaf to work with students with additional disabilities. Over a 3-year period, teachers selected these in-service topics: etiologies, vision conditions, behavior, transition, sensory integration, seizures, alternate assessment, and instructional strategies. In-class consultation was requested for support in the areas of formal assessment instruments, behavior, and student performance. Elements of effective professional development programs, such as honoring teachers' choices about topics and participation, responding to teachers' immediate classroom concerns, and providing in-class follow-up support, facilitated the success of this effort. PMID:19146073

  11. 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.

  12. Enhancement of the Thermal Stability and Mechanical Hardness of Zr-Al-Co Amorphous Alloys by Ag Addition

    NASA Astrophysics Data System (ADS)

    Wang, Yongyong; Dong, Xiao; Song, Xiaohui; Wang, Jinfeng; Li, Gong; Liu, Riping

    2016-05-01

    The thermal and mechanical properties of Zr57Al15Co28- X Ag X ( X = 0 and 8) amorphous alloys were investigated using differential scanning calorimetry, in situ high-pressure angle dispersive X-ray diffraction measurements with synchrotron radiation, and nanoindentation. Results show that Ag doping improves effective activation energy, nanohardness, elastic modulus, and bulk modulus. Ag addition enhances topological and chemical short-range orderings, which can improve local packing efficiency and restrain long-range atom diffusion. This approach has implications for the design of the microstructure- and property-controllable functional materials for various applications.

  13. Steel and titanium hollow sphere foams

    SciTech Connect

    Hurysz, K.M.; Clark, J.L.; Nagel, A.R.; Lee, K.J.; Cochran, J.K.; Sanders, T.H. Jr.; Hardwicke, C.U.

    1998-12-31

    Metal hollow sphere foams are fabricated by bonding millimeter sized metal alloy hollow spheres at points of contact. The spheres are formed as powder shells from slurries. For stainless steel spheres, the starting powder is a mixture of iron and chromium oxide. Thermal treatment in hydrogen reduces the oxides to Fe/Cr alloys with less than 2% porosity in sphere walls. The nominal composition is close to that of 405 stainless. Carburization in CO/CO{sub 2} atmosphere followed by heat treatment produces foams of either 410 or 420 type stainless steels depending on carbon content. Compressive stress-strain behavior was measured on point contact bonded stainless foams both before and after carburization. Hardness measurements on steel sphere walls were used to estimate the yield strength. Relative strengths of the foams were positioned between open and closed cell models. This was encouraging because bonding in the foams was less than optimum and the hollow sphere walls contained defects. As processing improves, strengths should increase. To produce titanium alloy spheres, the starting powder is titanium alloy hydride. Thermal treatment in an inert atmosphere decomposes the hydride and sinters the titanium powder in the sphere walls to greater than 96% relative density. Both titanium and Ti-6V-4V spheres and foams have been produced. Oxygen contents are a concern for titanium compositions and processing is being altered to reduce oxygen levels to increase ductility.

  14. Improved dehydrogenation performance of LiBH4 by 3D hierarchical flower-like MoS2 spheres additives

    NASA Astrophysics Data System (ADS)

    Zhao, Yan; Liu, Yongchang; Liu, Huiqiao; Kang, Hongyan; Cao, Kangzhe; Wang, Qinghong; Zhang, Chunling; Wang, Yijing; Yuan, Huatang; Jiao, Lifang

    2015-12-01

    In this work, 3D hierarchical flower-like MoS2 spheres are successfully fabricated via a hydrothermal method followed by a heat treatment. The obtained product is composed of few-layered MoS2 nanosheets with enlarged interlayer distance (ca. 0.66 nm) of the (002) plane. Meanwhile, the hydrogen storage properties of the as-prepared MoS2 ball milled with LiBH4 are systematically investigated. The results of temperature programmed desorption (TPD) and isothermal measurement suggest that the LiBH4-MoS2 (as-prepared) mixture exhibits favorable dehydrogenation properties in both lowering the hydrogen release temperature and improving kinetics of hydrogen release rate. LiBH4-MoS2 (as-prepared) sample (the preparation mass ratio is 1:1) starts to release hydrogen at 171 °C, and roughly 5.6 wt% hydrogen is released within 1 h when isothermally heated to 320 °C, which presents superior dehydrogenation performance compared to that of the bulk LiBH4. The excellent dehydrogenation performance of the LiBH4-MoS2 (as-prepared) mixture may be attributed to the high active site density and enlarged interlayer distance of the MoS2 nanosheets, 3D architectures and hierarchical structures.

  15. FERMI OBSERVATIONS OF GRB 090510: A SHORT-HARD GAMMA-RAY BURST WITH AN ADDITIONAL, HARD POWER-LAW COMPONENT FROM 10 keV TO GeV ENERGIES

    SciTech Connect

    Ackermann, M.; Bechtol, K.; Berenji, B.; Blandford, R. D.; Bloom, E. D.; Borgland, A. W.; Bouvier, A.; Asano, K.; Atwood, W. B.; Axelsson, M.; Baldini, L.; Bellazzini, R.; Bregeon, J.; Ballet, J.; Baring, M. G.; Bastieri, D.; Bhat, P. N.; Bissaldi, E.; Bonamente, E. E-mail: sylvain.guiriec@lpta.in2p3.f E-mail: ohno@astro.isas.jaxa.j

    2010-06-20

    We present detailed observations of the bright short-hard gamma-ray burst GRB 090510 made with the Gamma-ray Burst Monitor (GBM) and Large Area Telescope (LAT) on board the Fermi observatory. GRB 090510 is the first burst detected by the LAT that shows strong evidence for a deviation from a Band spectral fitting function during the prompt emission phase. The time-integrated spectrum is fit by the sum of a Band function with E{sub peak} = 3.9 {+-} 0.3 MeV, which is the highest yet measured, and a hard power-law component with photon index -1.62 {+-} 0.03 that dominates the emission below {approx}20 keV and above {approx}100 MeV. The onset of the high-energy spectral component appears to be delayed by {approx}0.1 s with respect to the onset of a component well fit with a single Band function. A faint GBM pulse and a LAT photon are detected 0.5 s before the main pulse. During the prompt phase, the LAT detected a photon with energy 30.5{sup +5.8}{sub -2.6} GeV, the highest ever measured from a short GRB. Observation of this photon sets a minimum bulk outflow Lorentz factor, {Gamma}{approx_gt} 1200, using simple {gamma}{gamma} opacity arguments for this GRB at redshift z = 0.903 and a variability timescale on the order of tens of ms for the {approx}100 keV-few MeV flux. Stricter high confidence estimates imply {Gamma} {approx_gt} 1000 and still require that the outflows powering short GRBs are at least as highly relativistic as those of long-duration GRBs. Implications of the temporal behavior and power-law shape of the additional component on synchrotron/synchrotron self-Compton, external-shock synchrotron, and hadronic models are considered.

  16. Fermi Observations of GRB 090510: A Short-Hard Gamma-ray Burst with an Additional, Hard Power-law Component from 10 keV TO GeV Energies

    NASA Astrophysics Data System (ADS)

    Ackermann, M.; Asano, K.; Atwood, W. B.; Axelsson, M.; Baldini, L.; Ballet, J.; Barbiellini, G.; Baring, M. G.; Bastieri, D.; Bechtol, K.; Bellazzini, R.; Berenji, B.; Bhat, P. N.; Bissaldi, E.; Blandford, R. D.; Bloom, E. D.; Bonamente, E.; Borgland, A. W.; Bouvier, A.; Bregeon, J.; Brez, A.; Briggs, M. S.; Brigida, M.; Bruel, P.; Buson, S.; Caliandro, G. A.; Cameron, R. A.; Caraveo, P. A.; Carrigan, S.; Casandjian, J. M.; Cecchi, C.; Çelik, Ö.; Charles, E.; Chiang, J.; Ciprini, S.; Claus, R.; Cohen-Tanugi, J.; Connaughton, V.; Conrad, J.; Dermer, C. D.; de Palma, F.; Dingus, B. L.; Silva, E. do Couto e.; Drell, P. S.; Dubois, R.; Dumora, D.; Farnier, C.; Favuzzi, C.; Fegan, S. J.; Finke, J.; Focke, W. B.; Frailis, M.; Fukazawa, Y.; Fusco, P.; Gargano, F.; Gasparrini, D.; Gehrels, N.; Germani, S.; Giglietto, N.; Giordano, F.; Glanzman, T.; Godfrey, G.; Granot, J.; Grenier, I. A.; Grondin, M.-H.; Grove, J. E.; Guiriec, S.; Hadasch, D.; Harding, A. K.; Hays, E.; Horan, D.; Hughes, R. E.; Jóhannesson, G.; Johnson, W. N.; Kamae, T.; Katagiri, H.; Kataoka, J.; Kawai, N.; Kippen, R. M.; Knödlseder, J.; Kocevski, D.; Kouveliotou, C.; Kuss, M.; Lande, J.; Latronico, L.; Lemoine-Goumard, M.; Llena Garde, M.; Longo, F.; Loparco, F.; Lott, B.; Lovellette, M. N.; Lubrano, P.; Makeev, A.; Mazziotta, M. N.; McEnery, J. E.; McGlynn, S.; Meegan, C.; Mészáros, P.; Michelson, P. F.; Mitthumsiri, W.; Mizuno, T.; Moiseev, A. A.; Monte, C.; Monzani, M. E.; Moretti, E.; Morselli, A.; Moskalenko, I. V.; Murgia, S.; Nakajima, H.; Nakamori, T.; Nolan, P. L.; Norris, J. P.; Nuss, E.; Ohno, M.; Ohsugi, T.; Omodei, N.; Orlando, E.; Ormes, J. F.; Ozaki, M.; Paciesas, W. S.; Paneque, D.; Panetta, J. H.; Parent, D.; Pelassa, V.; Pepe, M.; Pesce-Rollins, M.; Piron, F.; Preece, R.; Rainò, S.; Rando, R.; Razzano, M.; Razzaque, S.; Reimer, A.; Ritz, S.; Rodriguez, A. Y.; Roth, M.; Ryde, F.; Sadrozinski, H. F.-W.; Sander, A.; Scargle, J. D.; Schalk, T. L.; Sgrò, C.; Siskind, E. J.; Smith, P. D.; Spandre, G.; Spinelli, P.; Stamatikos, M.; Stecker, F. W.; Strickman, M. S.; Suson, D. J.; Tajima, H.; Takahashi, H.; Takahashi, T.; Tanaka, T.; Thayer, J. B.; Thayer, J. G.; Thompson, D. J.; Tibaldo, L.; Toma, K.; Torres, D. F.; Tosti, G.; Tramacere, A.; Uchiyama, Y.; Uehara, T.; Usher, T. L.; van der Horst, A. J.; Vasileiou, V.; Vilchez, N.; Vitale, V.; von Kienlin, A.; Waite, A. P.; Wang, P.; Wilson-Hodge, C.; Winer, B. L.; Wu, X. F.; Yamazaki, R.; Yang, Z.; Ylinen, T.; Ziegler, M.

    2010-06-01

    We present detailed observations of the bright short-hard gamma-ray burst GRB 090510 made with the Gamma-ray Burst Monitor (GBM) and Large Area Telescope (LAT) on board the Fermi observatory. GRB 090510 is the first burst detected by the LAT that shows strong evidence for a deviation from a Band spectral fitting function during the prompt emission phase. The time-integrated spectrum is fit by the sum of a Band function with E peak = 3.9 ± 0.3 MeV, which is the highest yet measured, and a hard power-law component with photon index -1.62 ± 0.03 that dominates the emission below ≈20 keV and above ≈100 MeV. The onset of the high-energy spectral component appears to be delayed by ~0.1 s with respect to the onset of a component well fit with a single Band function. A faint GBM pulse and a LAT photon are detected 0.5 s before the main pulse. During the prompt phase, the LAT detected a photon with energy 30.5+5.8 -2.6 GeV, the highest ever measured from a short GRB. Observation of this photon sets a minimum bulk outflow Lorentz factor, Γgsim 1200, using simple γγ opacity arguments for this GRB at redshift z = 0.903 and a variability timescale on the order of tens of ms for the ≈100 keV-few MeV flux. Stricter high confidence estimates imply Γ >~ 1000 and still require that the outflows powering short GRBs are at least as highly relativistic as those of long-duration GRBs. Implications of the temporal behavior and power-law shape of the additional component on synchrotron/synchrotron self-Compton, external-shock synchrotron, and hadronic models are considered.

  17. Towards composite spheres as building blocks for structured molecules.

    PubMed

    Lee, Lloyd L; Pellicane, Giuseppe

    2016-10-19

    In order to design a flexible molecular model that mimics the chemical moieties of a polyatomic molecule, we propose the 'composite-sphere' model that can assemble the essential elements to produce the structure of the target molecule. This is likened to the polymerization process where monomers assemble to form the polymer. The assemblage is built into the pair interaction potentials which can 'react' (figuratively) with selective pieces into various bonds. In addition, we preserve the spherical symmetries of the individual pair potentials so that the isotropic Ornstein-Zernike equation (OZ) for multi-component mixtures can be used as a theoretical framework. We first test our approach on generating a dumbbell molecule. An equimolar binary mixture of hard spheres and square-well spheres are allowed to react to form a dimer. As the bond length shrinks to zero, we create a site-site model of a Janus-like molecule with a repulsive moiety and an attractive moiety. We employ the zero-separation (ZSEP) closure to solve the OZ equations. The structure and thermodynamic properties are calculated at three isotherms and at several densities and the results are compared with Monte Carlo simulations. The close agreement achieved demonstrates that the ZSEP closure is a reliable theory for this composite-sphere fluid model. PMID:27546819

  18. Please comply: the water entry of soft spheres

    NASA Astrophysics Data System (ADS)

    Belden, Jesse; Hurd, Randy; Fanning, Tate; Jandron, Michael; Rekos, John; Bower, Allan; Truscott, Tadd

    2015-11-01

    The typical phenomena associated with sphere water impact are significantly altered when the sphere material is highly compliant rather than rigid. We describe the water impact physics of homogenous and hollow elastic spheres. The homogeneous spheres undergo large oscillatory deformations throughout entry that carve nested disturbances into the normally smooth air cavity, altering cavity shape and pinch off. Using an analytical model, we relate the maximum sphere deformation to the material properties and impact velocity. This characteristic deformation is used to reconcile the differences between cavities formed by compliant and rigid spheres. In addition to the nested disturbances seen with the homogeneous spheres, we observe azimuthal irregularities on the cavity during water entry of hollow elastic spheres. Based on experiments and finite-element modeling, we suggest that these disturbances are initiated by vibration mode shapes excited in the hollow spheres upon impact. For all sphere types, we compare the forces throughout water entry to the rigid sphere case.

  19. The Proximity Force Approximation for the Casimir Energy of Plate-Sphere and Sphere-Sphere Systems in the Presence of One Extra Compactified Universal Dimension

    NASA Astrophysics Data System (ADS)

    Cheng, Hongbo

    2015-08-01

    The Casimir energies for plate-sphere system and sphere-sphere systems under PFA in the presence of one extra compactified universal dimension are analyzed. We find that the Casimir energy between a plate and a sphere in the case of sphere-based PFA is divergent. The Casimir energy of plate-sphere system in the case of plate-based PFA is finite and keeps negative. The extra-dimension corrections to the Casimir energy will be more manifest if the sphere is larger or farther away from the plate. It is shown that the negative Casimir energy for two spheres is also associated with the sizes of spheres and extra space. The larger spheres and the longer distance between them make the influence from the additional dimension stronger.

  20. Additive Manufacturing/Diagnostics via the High Frequency Induction Heating of Metal Powders: The Determination of the Power Transfer Factor for Fine Metallic Spheres

    SciTech Connect

    Rios, Orlando; Radhakrishnan, Balasubramaniam; Caravias, George; Holcomb, Matthew

    2015-03-11

    Grid Logic Inc. is developing a method for sintering and melting fine metallic powders for additive manufacturing using spatially-compact, high-frequency magnetic fields called Micro-Induction Sintering (MIS). One of the challenges in advancing MIS technology for additive manufacturing is in understanding the power transfer to the particles in a powder bed. This knowledge is important to achieving efficient power transfer, control, and selective particle heating during the MIS process needed for commercialization of the technology. The project s work provided a rigorous physics-based model for induction heating of fine spherical particles as a function of frequency and particle size. This simulation improved upon Grid Logic s earlier models and provides guidance that will make the MIS technology more effective. The project model will be incorporated into Grid Logic s power control circuit of the MIS 3D printer product and its diagnostics technology to optimize the sintering process for part quality and energy efficiency.

  1. 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.

  2. Specific surface area of overlapping spheres in the presence of obstructions.

    PubMed

    Jenkins, D R

    2013-02-21

    This study considers the random placement of uniform sized spheres, which may overlap, in the presence of another set of randomly placed (hard) spheres, which do not overlap. The overlapping spheres do not intersect the hard spheres. It is shown that the specific surface area of the collection of overlapping spheres is affected by the hard spheres, such that there is a minimum in the specific surface area as a function of the relative size of the two sets of spheres. The occurrence of the minimum is explained in terms of the break-up of pore connectivity. The configuration can be considered to be a simple model of the structure of a porous composite material. In particular, the overlapping particles represent voids while the hard particles represent fillers. Example materials are pervious concrete, metallurgical coke, ice cream, and polymer composites. We also show how the material properties of such composites are affected by the void structure. PMID:23445025

  3. Specific surface area of overlapping spheres in the presence of obstructions

    NASA Astrophysics Data System (ADS)

    Jenkins, D. R.

    2013-02-01

    This study considers the random placement of uniform sized spheres, which may overlap, in the presence of another set of randomly placed (hard) spheres, which do not overlap. The overlapping spheres do not intersect the hard spheres. It is shown that the specific surface area of the collection of overlapping spheres is affected by the hard spheres, such that there is a minimum in the specific surface area as a function of the relative size of the two sets of spheres. The occurrence of the minimum is explained in terms of the break-up of pore connectivity. The configuration can be considered to be a simple model of the structure of a porous composite material. In particular, the overlapping particles represent voids while the hard particles represent fillers. Example materials are pervious concrete, metallurgical coke, ice cream, and polymer composites. We also show how the material properties of such composites are affected by the void structure.

  4. Addition Reactions of Me3 SiCN with Aldehydes Catalyzed by Aluminum Complexes Containing in their Coordination Sphere O, S, and N Ligands.

    PubMed

    Yang, Zhi; Yi, Yafei; Zhong, Mingdong; De, Sriman; Mondal, Totan; Koley, Debasis; Ma, Xiaoli; Zhang, Dongxiang; Roesky, Herbert W

    2016-05-10

    The reaction of one equivalent of LAlH2 (1; L=HC(CMeNAr)2 , Ar=2,6-iPr2 C6 H3 , β-diketiminate ligand) with two equivalents of 2-mercapto-4,6-dimethylpyrimidine hydrate resulted in LAl[(μ-S)(m-C4 N2 H)(CH2 )2 ]2 (2) in good yield. Similarly, when N-2-pyridylsalicylideneamine, N-(2,6-diisopropylphenyl)salicylaldimine, and ethyl 3-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylate were used as starting materials, the corresponding products LAl[(μ-O)(o-C6 H4 )CN(C5 NH4 )]2 (3), LAlH[(μ-O)(o-C4 H4 )CN(2,6-iPr2 C6 H3 )] (4), and LAl[(μ-NH)(o-C8 SH8 )(COOC2 H5 )]2 (5) were isolated. Compounds 2-5 were characterized by (1) H and (13) C NMR spectroscopy as well as by single-crystal X-ray structural analysis. Surprisingly, compounds 2-5 exhibit good catalytic activity in addition reactions of aldehydes with trimethylsilyl cyanide (TMSCN). PMID:27062461

  5. Seeded Synthesis of Monodisperse Core-Shell and Hollow Carbon Spheres.

    PubMed

    Gil-Herrera, Luz Karime; Blanco, Álvaro; Juárez, Beatriz H; López, Cefe

    2016-08-01

    Monodisperse carbon spheres between 500 and 900 nm are hydrothermally synthesized from glucose on polystyrene seeds. Control over temperature, time, glucose concentration, and seed size yields hybrid spheres without aggregation and no additional spheres population. Pyrolysis transforms the hybrid into hollow carbon spheres preserving monodispersity. This approach provides a basis for functional carbon spheres applicable in photonics and energy storage. PMID:27337299

  6. Reaching the Hard Places: A Three-Year Evaluation of the Addition of Concise Online E-Clips into an Academic Development Program

    ERIC Educational Resources Information Center

    Quinn, Diana

    2010-01-01

    Purpose: The purpose of this paper is to examine current approaches to teaching used in academic development services and consider the diversity of their learners (academic faculty). Faculty engagement with teaching issues and innovations remains a concern for the higher education sector. The academic population contains large numbers of "hard to…

  7. Multicomponent fluids of hard hyperspheres in odd dimensions

    NASA Astrophysics Data System (ADS)

    Rohrmann, René D.; Santos, Andrés

    2011-01-01

    Mixtures of hard hyperspheres in odd-space dimensionalities are studied with an analytical approximation method. This technique is based on the so-called rational function approximation and provides a procedure for evaluating equations of state, structure factors, radial distribution functions, and direct correlation functions of additive mixtures of hard hyperspheres with any number of components and in arbitrary odd-dimension space. The method gives the exact solution of the Ornstein-Zernike equation coupled with the Percus-Yevick closure, thus, extending the solution for hard-sphere mixtures [J. L. Lebowitz, Phys. Rev.PHRVAO0031-899X10.1103/PhysRev.133.A895 133, A895 (1964)] to arbitrary odd dimensions. Explicit evaluations for binary mixtures in five dimensions are performed. The results are compared with computer simulations, and a good agreement is found.

  8. Generalized orbital angular momentum Poincaré sphere

    NASA Astrophysics Data System (ADS)

    Chithrabhanu, P.; Reddy, Salla Gangi; Anwar, Ali; Singh, R. P.

    2015-06-01

    We construct a orbital angular momentum (OAM) Poincaŕe sphere in which we can represent 2-D superposition states of arbitrary OAM. In addition, we represent the mixed states of OAM as non separable states inside the sphere. We also give an experimental set up to generate all points on this sphere.

  9. 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...

  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. Lorentzian fuzzy spheres

    NASA Astrophysics Data System (ADS)

    Chaney, A.; Lu, Lei; Stern, A.

    2015-09-01

    We show that fuzzy spheres are solutions of Lorentzian Ishibashi-Kawai-Kitazawa-Tsuchiya-type matrix models. The solutions serve as toy models of closed noncommutative cosmologies where big bang/crunch singularities appear only after taking the commutative limit. The commutative limit of these solutions corresponds to a sphere embedded in Minkowski space. This "sphere" has several novel features. The induced metric does not agree with the standard metric on the sphere, and, moreover, it does not have a fixed signature. The curvature computed from the induced metric is not constant, has singularities at fixed latitudes (not corresponding to the poles) and is negative. Perturbations are made about the solutions, and are shown to yield a scalar field theory on the sphere in the commutative limit. The scalar field can become tachyonic for a range of the parameters of the theory.

  12. 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.

  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. 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.

  16. Active swarms on a sphere.

    PubMed

    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. PMID:25768504

  17. 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 ...

  18. 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.

  19. 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.

  20. 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.

  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. Uniform hollow magnetite spheres: Facile synthesis, growth mechanism, and their magnetic properties

    SciTech Connect

    Zhou, Xing; Zhao, Guizhe; Liu, Yaqing

    2014-11-15

    Highlights: • Uniform Fe{sub 3}O{sub 4} hollow spheres with high saturation magnetization were synthesized through a simple solvothermal process. • Without using any hard templates or external magnetic field. • The as-prepared magnetite hollow spheres exhibit a ferromagnetic behavior with high Ms of ca. 85.9 emu/g at room temperature. • The morphology of Fe{sub 3}O{sub 4} with nanoparticles, hollow, and irregular structures could be adjusted by changing the reactive conditions. - Abstract: Hierarchical porous Fe{sub 3}O{sub 4} hollow spheres with high saturation magnetization were synthesized through a simple solvothermal process in ethylene glycol (EG) in the presence of Tetrabutylammonium chloride (TBAC) and urea. By investigating the effect of reaction temperature, time, the amount of urea, and concentration of iron ion on the formation of hollow spheres, it was proposed that the main formation mechanism of hollow spheres is Ostwald ripening process combined with assembly-then-inside-out evacuation process. Additionally, it is found that the morphology of Fe{sub 3}O{sub 4} with nanoparticles, hollow, and irregular structures could be adjusted by changing the above factors. The resulting products were characterized by means of scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray powder diffraction (XRD), high resolution transmission electron microscopy (HRTEM), energy dispersive X-ray spectroscopy (EDX), and vibrating sample magnetometer (VSM). The hierarchical porous Fe{sub 3}O{sub 4} hollow spheres exhibited enhanced saturation magnetization as compared with Fe{sub 3}O{sub 4} nanoparticles.

  3. Radial distribution function of penetrable sphere fluids to the second order in density

    NASA Astrophysics Data System (ADS)

    Santos, Andrés; Malijevský, Alexandr

    2007-02-01

    The simplest bounded potential is that of penetrable spheres, which takes a positive finite value γ if the two spheres are overlapped, being zero otherwise. In this paper we derive the cavity function to second order in density and the fourth virial coefficient as functions of T*≡kBT/γ (where kB is the Boltzmann constant and T is the temperature) for penetrable sphere fluids. The expressions are exact, except for the function represented by an elementary diagram inside the core, which is approximated by a polynomial form in excellent agreement with accurate results obtained by Monte Carlo integration. Comparison with the hypernetted-chain (HNC) and Percus-Yevick (PY) theories shows that the latter is better than the former for T*≲1 only. However, even at zero temperature (hard sphere limit), the PY solution is not accurate inside the overlapping region, where no practical cancellation of the neglected diagrams takes place. The exact fourth virial coefficient is positive for T*≲0.73 , reaches a minimum negative value at T*≈1.1 , and then goes to zero from below as 1/T*4 for high temperatures. These features are captured qualitatively, but not quantitatively, by the HNC and PY predictions. In addition, in both theories the compressibility route is the best one for T*≲0.7 , while the virial route is preferable if T*≳0.7 .

  4. Note: Sound velocity of a soft sphere model near the fluid-solid phase transition.

    PubMed

    Khrapak, Sergey A

    2016-03-28

    The quasilocalized charge approximation is applied to estimate the sound velocity of simple soft sphere fluid with the repulsive inverse-power-law interaction. The obtained results are discussed in the context of the sound velocity of the hard-sphere system and of liquid metals at the melting temperature. PMID:27036483

  5. Strength Measurement of Ceramic Spheres Using a Diametrally Compressed "C-Sphere" Specimen

    SciTech Connect

    Wereszczak, Andrew A; Jadaan, Osama M.; Kirkland, Timothy Philip

    2007-01-01

    A "C-sphere" flexure strength specimen geometry was conceived and developed to measure the hoop tensile strength of bearing-grade silicon nitride (Si3N4) balls. Because such a strength can be measured, the important study of surface-located strength-limiting flaws in ceramic sphere is also enabled with this specimen. A slot is machined into the balls to a set depth to produce the C-sphere geometry. A simple, monotonically increasing uniaxial compressive force produces a hoop tensile stress at the C-sphere's outer surface that ultimately initiates fracture. The strength is determined using the combination of failure load, C-sphere geometry, and finite element analysis. Additionally, the stress field was used to determine C-sphere effective areas and effective volumes as a function of Weibull modulus. To demonstrate this new specimen, C-sphere flexure strength distributions were determined for three commercially available bearing-grade Si3N4 materials (NBD200, SN101C, and TSN-03NH), and differences among their characteristic strengths and Weibull moduli were found.

  6. 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.

  7. Characterization of maximally random jammed sphere packings: Voronoi correlation functions.

    PubMed

    Klatt, Michael A; Torquato, Salvatore

    2014-11-01

    We characterize the structure of maximally random jammed (MRJ) sphere packings by computing the Minkowski functionals (volume, surface area, and integrated mean curvature) of their associated Voronoi cells. The probability distribution functions of these functionals of Voronoi cells in MRJ sphere packings are qualitatively similar to those of an equilibrium hard-sphere liquid and partly even to the uncorrelated Poisson point process, implying that such local statistics are relatively structurally insensitive. This is not surprising because the Minkowski functionals of a single Voronoi cell incorporate only local information and are insensitive to global structural information. To improve upon this, we introduce descriptors that incorporate nonlocal information via the correlation functions of the Minkowski functionals of two cells at a given distance as well as certain cell-cell probability density functions. We evaluate these higher-order functions for our MRJ packings as well as equilibrium hard spheres and the Poisson point process. It is shown that these Minkowski correlation and density functions contain visibly more information than the corresponding standard pair-correlation functions. We find strong anticorrelations in the Voronoi volumes for the hyperuniform MRJ packings, consistent with previous findings for other pair correlations [A. Donev et al., Phys. Rev. Lett. 95, 090604 (2005)PRLTAO0031-900710.1103/PhysRevLett.95.090604], indicating that large-scale volume fluctuations are suppressed by accompanying large Voronoi cells with small cells, and vice versa. In contrast to the aforementioned local Voronoi statistics, the correlation functions of the Voronoi cells qualitatively distinguish the structure of MRJ sphere packings (prototypical glasses) from that of not only the Poisson point process but also the correlated equilibrium hard-sphere liquids. Moreover, while we did not find any perfect icosahedra (the locally densest possible structure in which a

  8. The compression of spheres coated with an aqueous ethylcellulose dispersion.

    PubMed

    Miller, R A; Leung, E M; Oates, R J

    1999-04-01

    Tablets were compressed from commercial samples of Sugar Spheres NF, Sucrose NF, Corn Starch NF, as well as ground spheres and a physical mixture of ground sucrose plus cornstarch. Additional tablets were compressed from spheres that had been coated with a water-soluble cellulosic polymer solution followed by an aqueous ethylcellulose dispersion. Tableting parameters measured "in-die" included work of compression, peak offset time, tablet density, and Young's modulus. Following ejection, tensile strength was determined under diametrical loading. Dissolution of a marker contained in the water-soluble layer was determined for both compressed and uncompressed spheres. Porosities at peak pressure and peak offset times or tensile strength as functions of peak pressure did not differ between tablets compressed from pristine spheres or from ground spheres. Tablets compressed from spheres had higher values for porosity, tensile strength, and peak offset time than those compressed from sucrose or the sucrose: starch mixture. Values for work of compression were higher for tablets compressed from pristine spheres or from starch. This was attributed to the work required for particle deformation and for breaking of the spheres. The greatest elastic recovery during decompression was observed for tablets compressed from pristine spheres or starch. More brittle behavior was observed for tablets compressed from sucrose or the sucrose: starch mixture. Tablets compressed from ground spheres were more brittle than those compressed from the pristine spheres, indicating an effect due to grinding. Most mechanical properties of tablets compressed from the coated spheres were comparable to those of tablets compressed from uncoated spheres. An exception was diametric strain for tablets compressed from spheres coated with the aqueous ethylcellulose dispersion. These values increased since the plasticized ethylcellulose allowed greater distortion of the tablet before failure occurred. The dye

  9. Scalable Metropolis Monte Carlo for simulation of hard shapes

    NASA Astrophysics Data System (ADS)

    Anderson, Joshua A.; Eric Irrgang, M.; Glotzer, Sharon C.

    2016-07-01

    We design and implement a scalable hard particle Monte Carlo simulation toolkit (HPMC), and release it open source as part of HOOMD-blue. HPMC runs in parallel on many CPUs and many GPUs using domain decomposition. We employ BVH trees instead of cell lists on the CPU for fast performance, especially with large particle size disparity, and optimize inner loops with SIMD vector intrinsics on the CPU. Our GPU kernel proposes many trial moves in parallel on a checkerboard and uses a block-level queue to redistribute work among threads and avoid divergence. HPMC supports a wide variety of shape classes, including spheres/disks, unions of spheres, convex polygons, convex spheropolygons, concave polygons, ellipsoids/ellipses, convex polyhedra, convex spheropolyhedra, spheres cut by planes, and concave polyhedra. NVT and NPT ensembles can be run in 2D or 3D triclinic boxes. Additional integration schemes permit Frenkel-Ladd free energy computations and implicit depletant simulations. In a benchmark system of a fluid of 4096 pentagons, HPMC performs 10 million sweeps in 10 min on 96 CPU cores on XSEDE Comet. The same simulation would take 7.6 h in serial. HPMC also scales to large system sizes, and the same benchmark with 16.8 million particles runs in 1.4 h on 2048 GPUs on OLCF Titan.

  10. Must "Hard Problems" Be Hard?

    ERIC Educational Resources Information Center

    Kolata, Gina

    1985-01-01

    To determine how hard it is for computers to solve problems, researchers have classified groups of problems (polynomial hierarchy) according to how much time they seem to require for their solutions. A difficult and complex proof is offered which shows that a combinatorial approach (using Boolean circuits) may resolve the problem. (JN)

  11. Graphitized hollow carbon spheres and yolk-structured carbon spheres fabricated by metal-catalyst-free chemical vapor deposition

    DOE PAGESBeta

    Li, Xufan; Chi, Miaofang; Mahurin, Shannon Mark; Liu, Rui; Chuang, Yen -Jun; Dai, Sheng; Pan, Zhengwei

    2016-01-18

    Hard-sphere-templating method has been widely used to synthesize hollow carbon spheres (HCSs), in which the spheres were firstly coated with a carbon precursor, followed by carbonization and core removal. The obtained HCSs are generally amorphous or weakly graphitized (with the help of graphitization catalysts). In this work, we report on the fabrication of graphitized HCSs and yolk–shell Au@HCS nanostructures using a modified templating method, in which smooth, uniform graphene layers were grown on SiO2 spheres or Au@SiO2 nanoparticles via metal-catalyst-free chemical vapor deposition (CVD) of methane. Furthermore, our work not only provides a new method to fabricate high-quality, graphitized HCSsmore » but also demonstrates a reliable approach to grow quality graphene on oxide surfaces using CVD without the presence of metal catalysts.« less

  12. 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.

  13. First science with SPHERE

    NASA Astrophysics Data System (ADS)

    Claudi, R.; Gratton, R.; Desidera, S.; Maire, A.-L.; Mesa, D.; Turatto, M.; Baruffolo, A.; Cascone, E.; De Caprio, V.; D'Orazi, V.; Fantinel, D.; Giro, E.; Salasnich, B.; Scuderi, S.; Sissa, E.; Beuzit, J.-L.; Mouillet, D.

    The Spectro-Polarimetric High-contrast Exoplanet Research (SPHERE) facility mounted at ESO-VLT aims at discovering giant extrasolar planets in the proximity of bright stars and characterising them through spectroscopic and polarimetric observations. SPHERE is a complete system with a core made of an extreme-Adaptive Optics (XAO) turbulence correction, a pupil tracker and NIR and Visible coronagraph devices. At its back end, a differential dual imaging camera (IRDIS) and an integral field spectrograph (IFS) work in the Near Infrared (NIR) (0.95 < lambda < 2.32 μm) while a high resolution polarization camera covers the visible domain (0.6 < lambda < 0.9 μm). The IFS is a low resolution spectrograph (R˜50) that operates in the near IR (0.95< lambda < 1.6 μm), an optimal wavelength range for the detection of planetary features, over a field of view of about 1.7 × 1.7 square arcsecs. From spectra it is possible to reconstruct monochromatic images with high contrast (10-6 at 0.5 arcsec) and high spatial resolution, well inside the star PSF. The commissioning of the instrument ended in October 2014 and ESO has already offered SPHERE to the community. In this paper several results obtained during the commissioning and science verification phase are described.

  14. The distribution sphere model

    SciTech Connect

    Myers, B.F.; Montgomery, F.C.; Morris, R.N.

    1993-08-01

    The equivalent sphere model, which is widely used in calculating the release of fission gases from nuclear fuel, is idealized. The model is based on the diffusion of fission products in and their escape from a homogeneous sphere of fuel; the fission products are generated at a constant rate and undergo radiodecay. The fuel is assumed to be a set of spherical particles with a common radius. The value of the radius is such that the surface-to-volume ratio, S/V, of the set of spherical particles is the same as the S/V of the fuel mass of interest. The release rate depends on the dimensionless quantity {lambda}a{sup 2}/D where {lambda} is the radiodecay constant, a, the equivalent sphere radius and D, the diffusion coefficient. In the limit {lambda}t {much_gt} 1, the steady-state fractional release for isotopes with half-lives less than about 5 d is given by the familiar relation R/B = 3{radical}D/{lambda}a{sup 2} (1). For the spherical particles, S/V = 3/a. However, in important cases, the assumption of a single value of a is inappropriate. Examples of configurations for which multiple values of a are appropriate include powders, hydrolyzed fuel kernels, normally configured HTR fuel particles and perhaps, fuel kernels alone. In the latter case, one can imagine a distribution of values of a whose mean yields the value appropriate for agreement of Eq. (1) with measurement.

  15. Ultraviolet characterization of integrating spheres.

    PubMed

    Shaw, Ping-Shine; Li, Zhigang; Arp, Uwe; Lykke, Keith R

    2007-08-01

    We have studied the performance of polytetrafluoroethylene integrating spheres in the ultraviolet (UV) region with wavelengths as short as 200 nm. Two techniques were used for this study; first, the spectral throughput of an integrating sphere irradiated by a deuterium lamp was analyzed by a monochromator. Second, a UV laser beam was directed into an integrating sphere, and spectrally dispersed laser induced fluorescence was studied. Significant absorption and fluorescence features were observed in the UV region and attributed to the contamination in the integrating sphere. We demonstrate that integrating spheres are easily contaminated by environmental pollutants such as polycyclic aromatic hydrocarbons emitted from engine exhaust. Baking of the contaminated integrating sphere can reverse some but not all of the effects caused by contaminants. The implications for using integrating spheres for UV measurement are discussed. PMID:17676122

  16. Ultraviolet characterization of integrating spheres

    NASA Astrophysics Data System (ADS)

    Shaw, Ping-Shine; Li, Zhigang; Arp, Uwe; Lykke, Keith R.

    2007-08-01

    We have studied the performance of polytetrafluoroethylene integrating spheres in the ultraviolet (UV) region with wavelengths as short as 200 nm. Two techniques were used for this study; first, the spectral throughput of an integrating sphere irradiated by a deuterium lamp was analyzed by a monochromator. Second, a UV laser beam was directed into an integrating sphere, and spectrally dispersed laser induced fluorescence was studied. Significant absorption and fluorescence features were observed in the UV region and attributed to the contamination in the integrating sphere. We demonstrate that integrating spheres are easily contaminated by environmental pollutants such as polycyclic aromatic hydrocarbons emitted from engine exhaust. Baking of the contaminated integrating sphere can reverse some but not all of the effects caused by contaminants. The implications for using integrating spheres for UV measurement are discussed.

  17. Hard convex lens-shaped particles: Densest-known packings and phase behavior

    NASA Astrophysics Data System (ADS)

    Cinacchi, Giorgio; Torquato, Salvatore

    2015-12-01

    By using theoretical methods and Monte Carlo simulations, this work investigates dense ordered packings and equilibrium phase behavior (from the low-density isotropic fluid regime to the high-density crystalline solid regime) of monodisperse systems of hard convex lens-shaped particles as defined by the volume common to two intersecting congruent spheres. We show that, while the overall similarity of their shape to that of hard oblate ellipsoids is reflected in a qualitatively similar phase diagram, differences are more pronounced in the high-density crystal phase up to the densest-known packings determined here. In contrast to those non-(Bravais)-lattice two-particle basis crystals that are the densest-known packings of hard (oblate) ellipsoids, hard convex lens-shaped particles pack more densely in two types of degenerate crystalline structures: (i) non-(Bravais)-lattice two-particle basis body-centered-orthorhombic-like crystals and (ii) (Bravais) lattice monoclinic crystals. By stacking at will, regularly or irregularly, laminae of these two crystals, infinitely degenerate, generally non-periodic in the stacking direction, dense packings can be constructed that are consistent with recent organizing principles. While deferring the assessment of which of these dense ordered structures is thermodynamically stable in the high-density crystalline solid regime, the degeneracy of their densest-known packings strongly suggests that colloidal convex lens-shaped particles could be better glass formers than colloidal spheres because of the additional rotational degrees of freedom.

  18. Hard convex lens-shaped particles: Densest-known packings and phase behavior

    SciTech Connect

    Cinacchi, Giorgio; Torquato, Salvatore

    2015-12-14

    By using theoretical methods and Monte Carlo simulations, this work investigates dense ordered packings and equilibrium phase behavior (from the low-density isotropic fluid regime to the high-density crystalline solid regime) of monodisperse systems of hard convex lens-shaped particles as defined by the volume common to two intersecting congruent spheres. We show that, while the overall similarity of their shape to that of hard oblate ellipsoids is reflected in a qualitatively similar phase diagram, differences are more pronounced in the high-density crystal phase up to the densest-known packings determined here. In contrast to those non-(Bravais)-lattice two-particle basis crystals that are the densest-known packings of hard (oblate) ellipsoids, hard convex lens-shaped particles pack more densely in two types of degenerate crystalline structures: (i) non-(Bravais)-lattice two-particle basis body-centered-orthorhombic-like crystals and (ii) (Bravais) lattice monoclinic crystals. By stacking at will, regularly or irregularly, laminae of these two crystals, infinitely degenerate, generally non-periodic in the stacking direction, dense packings can be constructed that are consistent with recent organizing principles. While deferring the assessment of which of these dense ordered structures is thermodynamically stable in the high-density crystalline solid regime, the degeneracy of their densest-known packings strongly suggests that colloidal convex lens-shaped particles could be better glass formers than colloidal spheres because of the additional rotational degrees of freedom.

  19. 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

  20. Pool boiling from rotating and stationary spheres in liquid nitrogen

    NASA Technical Reports Server (NTRS)

    Cuan, Winston M.; Schwartz, Sidney H.

    1988-01-01

    Results are presented for a preliminary experiment involving saturated pool boiling at 1 atm from rotating 2 and 3 in. diameter spheres which were immersed in liquid nitrogen (LN2). Additional results are presented for a stationary, 2 inch diameter sphere, quenched in LN2, which were obtained utilizing a more versatile and complete experimental apparatus that will eventually be used for additional rotating sphere experiments. The speed for the rotational tests was varied from 0 to 10,000 rpm. The stationary experiments parametrically varied pressure and subcooling levels from 0 to 600 psig and from 0 to 50 F, respectively. During the rotational tests, a high speed photographic analysis was undertaken to measure the thickness of the vapor film surrounding the sphere. The average Nusselt number over the cooling period was plotted against the rotational Reynolds number. Stationary sphere results included local boiling heat transfer coefficients at different latitudinal locations, for various pressure and subcooling levels.

  1. 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.

  2. Theoretical study of miscibility and glass-forming trends in mixtures of polystyrene spheres

    NASA Technical Reports Server (NTRS)

    Shih, W.-H.; Stroud, D.

    1984-01-01

    A theoretical study of glass-forming trends and miscibility in mixtures of polystyrene spheres (polyballs) of different diameters, suspended in an aqueous solution, is presented. The polyballs are assumed to be charged and to interact via a Debye-Hueckel screened Coulomb potential. The Helmholtz free energy is calculated from a variational principle based on the Gibbs-Bogoliubov inequality, in which a mixture of hard spheres of different diameters is chosen as the reference system. It is found that when the charges of the two types of polyballs are sufficiently different, the variationally determined ratio of hard-sphere diameters differs substantially, leading to packing difficulties characteristic of glass formation. The experimentally observed range of glass formation corresponds to a ratio of hard-sphere diameters of 0.8 or less. Calculations of the free energy as a function of concentration indicate that the liquid polyball mixture is stable against the phase separation, even for widely different polyball charges.

  3. Parsons-Lee approach for oblate hard spherocylinders

    NASA Astrophysics Data System (ADS)

    Gámez, F.; Merkling, P. J.; Lago, S.

    2010-07-01

    A Parsons-Lee approach for the isotropic-nematic transition and equation of state (EoS) of oblate hard spherocylinders is presented. The expansion of the orientation distribution function in terms of Legendre polynomials along with a closed expression for the mutually excluded volume of hard particles gives accurate values for the EoS. Results presented in this work compare favorably with recent simulation results for oblate hard spherocylinders and cut spheres. The discussion extends to nematic order parameter.

  4. 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.

  5. Effect of hydroxyapatite spheres, whiskers, and nanoparticles on mechanical properties of a model BisGMA/TEGDMA composite initially and after storage.

    PubMed

    Lezaja, Maja; Veljovic, Djordje N; Jokic, Bojan M; Cvijovic-Alagic, Ivana; Zrilic, Milorad M; Miletic, Vesna

    2013-11-01

    This study investigated the effect of shape, size, and surface modification of hydroxyapatite (HAP) fillers on the degree of conversion (DC) and mechanical properties of a model BisGMA/TEGDMA composite initially and after 4 weeks of storage. Ten percent of conventional glass fillers were replaced by HAP spheres (Sph), silicon-doped spheres (SphSi), whiskers (Wh), silicon-doped whiskers (WhSi), and nanosized HAP particles (Nano). Spheres were specifically structured agglomerates consisting of a central void and radially orientated primary particles, whereas whiskers were compact monocrystals. DC, Vickers hardness (HV), flexural strength (Fs), flexural modulus (Ef), compressive strength (Cs), and compressive modulus (Ec) were tested. There were no significant differences in the DC between all tested groups. HV decreased by 5.4-17% with the addition of HAP, while Fs increased by 13.9-29% except in Nano group (decrease by 13%). After storage, Sph and SphSi groups showed similar HV, Ef, Cs and Ec and higher Fs than the control. The fracture mode of HAP spheres was through the central void whereas whiskers showed longitudinal delamination, transverse, and mixed fractures. HAP spheres with or without silicon- doping have a potential to be part of the filler content of dental composites. PMID:23744667

  6. Large attractive depletion interactions in soft repulsive-sphere binary mixtures.

    PubMed

    Cinacchi, Giorgio; Martínez-Ratón, Yuri; Mederos, Luis; Navascués, Guillermo; Tani, Alessandro; Velasco, Enrique

    2007-12-01

    We consider binary mixtures of soft repulsive spherical particles and calculate the depletion interaction between two big spheres mediated by the fluid of small spheres, using different theoretical and simulation methods. The validity of the theoretical approach, a virial expansion in terms of the density of the small spheres, is checked against simulation results. Attention is given to the approach toward the hard-sphere limit and to the effect of density and temperature on the strength of the depletion potential. Our results indicate, surprisingly, that even a modest degree of softness in the pair potential governing the direct interactions between the particles may lead to a significantly more attractive total effective potential for the big spheres than in the hard-sphere case. This might lead to significant differences in phase behavior, structure, and dynamics of a binary mixture of soft repulsive spheres. In particular, a perturbative scheme is applied to predict the phase diagram of an effective system of big spheres interacting via depletion forces for a size ratio of small and big spheres of 0.2; this diagram includes the usual fluid-solid transition but, in the soft-sphere case, the metastable fluid-fluid transition, which is probably absent in hard-sphere mixtures, is close to being stable with respect to direct fluid-solid coexistence. From these results, the interesting possibility arises that, for sufficiently soft repulsive particles, this phase transition could become stable. Possible implications for the phase behavior of real colloidal dispersions are discussed. PMID:18067358

  7. 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.

  8. Viscosities and sintering rates of composite packings of spheres

    SciTech Connect

    Jagota, A.; Scherer, G.W.

    1995-03-01

    The effective sintering rates and viscosities of three-dimensional composite packings have been studied using a discrete numerical model. The packings consist of random mixtures of hard and soft spheres of the same size. With increasing substitution of hard particles for soft particles in the packing, the viscosity increases and the sintering rate decreases. This is particularly abrupt at well-defined rigidity thresholds where there is a transition from softlike to hardlike behavior. The site fraction of hard particles at which the transition occurs depends on the nature of the interaction between hard particles. When the contact between hard particles resists all six relative degrees of freedom (relative velocities and spins). the bonded case, the rigidity threshold coincides with the percolation threshold (site fraction {approx}0.32). When the contact between hard particles resists only interpenetration. the sliding case, the threshold occurs at a site fraction of hard particles very close to unity. Results for the variation of effective properties with site fraction of hard particles are presented for these and other cases. These results can also be applied to the study of elastic percolating networks.

  9. Tuning structure and mobility of solvation shells surrounding tracer additives

    SciTech Connect

    Carmer, James; Jain, Avni; Bollinger, Jonathan A.; Truskett, Thomas M.; Swol, Frank van

    2015-03-28

    Molecular dynamics simulations and a stochastic Fokker-Planck equation based approach are used to illuminate how position-dependent solvent mobility near one or more tracer particle(s) is affected when tracer-solvent interactions are rationally modified to affect corresponding solvation structure. For tracers in a dense hard-sphere fluid, we compare two types of tracer-solvent interactions: (1) a hard-sphere-like interaction, and (2) a soft repulsion extending beyond the hard core designed via statistical mechanical theory to enhance tracer mobility at infinite dilution by suppressing coordination-shell structure [Carmer et al., Soft Matter 8, 4083–4089 (2012)]. For the latter case, we show that the mobility of surrounding solvent particles is also increased by addition of the soft repulsive interaction, which helps to rationalize the mechanism underlying the tracer’s enhanced diffusivity. However, if multiple tracer surfaces are in closer proximity (as at higher tracer concentrations), similar interactions that disrupt local solvation structure instead suppress the position-dependent solvent dynamics.

  10. Tuning structure and mobility of solvation shells surrounding tracer additives.

    PubMed

    Carmer, James; Jain, Avni; Bollinger, Jonathan A; van Swol, Frank; Truskett, Thomas M

    2015-03-28

    Molecular dynamics simulations and a stochastic Fokker-Planck equation based approach are used to illuminate how position-dependent solvent mobility near one or more tracer particle(s) is affected when tracer-solvent interactions are rationally modified to affect corresponding solvation structure. For tracers in a dense hard-sphere fluid, we compare two types of tracer-solvent interactions: (1) a hard-sphere-like interaction, and (2) a soft repulsion extending beyond the hard core designed via statistical mechanical theory to enhance tracer mobility at infinite dilution by suppressing coordination-shell structure [Carmer et al., Soft Matter 8, 4083-4089 (2012)]. For the latter case, we show that the mobility of surrounding solvent particles is also increased by addition of the soft repulsive interaction, which helps to rationalize the mechanism underlying the tracer's enhanced diffusivity. However, if multiple tracer surfaces are in closer proximity (as at higher tracer concentrations), similar interactions that disrupt local solvation structure instead suppress the position-dependent solvent dynamics. PMID:25833590

  11. Dynamical tachyons on fuzzy spheres

    SciTech Connect

    Berenstein, David; Trancanelli, Diego

    2011-05-15

    We study the spectrum of off-diagonal fluctuations between displaced fuzzy spheres in the Berenstein-Maldacena-Nastase plane wave matrix model. The displacement is along the plane of the fuzzy spheres. We find that when two fuzzy spheres intersect at angles, classical tachyons develop and that the spectrum of these modes can be computed analytically. These tachyons can be related to the familiar Nielsen-Olesen instabilities in Yang-Mills theory on a constant magnetic background. Many features of the problem become more apparent when we compare with maximally supersymmetric Yang-Mills theory on a sphere, of which this system is a truncation. We also set up a simple oscillatory trajectory on the displacement between the fuzzy spheres and study the dynamics of the modes as they become tachyonic for part of the oscillations. We speculate on their role regarding the possible thermalization of the system.

  12. Dynamical tachyons on fuzzy spheres

    NASA Astrophysics Data System (ADS)

    Berenstein, David; Trancanelli, Diego

    2011-05-01

    We study the spectrum of off-diagonal fluctuations between displaced fuzzy spheres in the Berenstein-Maldacena-Nastase plane wave matrix model. The displacement is along the plane of the fuzzy spheres. We find that when two fuzzy spheres intersect at angles, classical tachyons develop and that the spectrum of these modes can be computed analytically. These tachyons can be related to the familiar Nielsen-Olesen instabilities in Yang-Mills theory on a constant magnetic background. Many features of the problem become more apparent when we compare with maximally supersymmetric Yang-Mills theory on a sphere, of which this system is a truncation. We also set up a simple oscillatory trajectory on the displacement between the fuzzy spheres and study the dynamics of the modes as they become tachyonic for part of the oscillations. We speculate on their role regarding the possible thermalization of the system.

  13. An intersecting chord method for minimum circumscribed sphere and maximum inscribed sphere evaluations of sphericity error

    NASA Astrophysics Data System (ADS)

    Liu, Fei; Xu, Guanghua; Zhang, Qing; Liang, Lin; Liu, Dan

    2015-11-01

    As one of the Geometrical Product Specifications that are widely applied in industrial manufacturing and measurement, sphericity error can synthetically scale a 3D structure and reflects the machining quality of a spherical workpiece. Following increasing demands in the high motion performance of spherical parts, sphericity error is becoming an indispensable component in the evaluation of form error. However, the evaluation of sphericity error is still considered to be a complex mathematical issue, and the related research studies on the development of available models are lacking. In this paper, an intersecting chord method is first proposed to solve the minimum circumscribed sphere and maximum inscribed sphere evaluations of sphericity error. This new modelling method leverages chord relationships to replace the characteristic points, thereby significantly reducing the computational complexity and improving the computational efficiency. Using the intersecting chords to generate a virtual centre, the reference sphere in two concentric spheres is simplified as a space intersecting structure. The position of the virtual centre on the space intersecting structure is determined by characteristic chords, which may reduce the deviation between the virtual centre and the centre of the reference sphere. In addition,two experiments are used to verify the effectiveness of the proposed method with real datasets from the Cartesian coordinates. The results indicate that the estimated errors are in perfect agreement with those of the published methods. Meanwhile, the computational efficiency is improved. For the evaluation of the sphericity error, the use of high performance computing is a remarkable change.

  14. Simulation of flow past a sphere in a stratified fluid

    NASA Astrophysics Data System (ADS)

    de Stadler, Matthew; Sarkar, Sutanu

    2011-11-01

    Direct numerical simulation is used to simulate spatially-evolving flow past a sphere in a stratified fluid. The immersed boundary method is used to treat the sphere inside the domain. The main objective of this study is to characterize the near wake region. Statistics of interest include the drag coefficient, separation angle, Strouhal number, and the spatial evolution of the velocity fluctuations and the defect velocity. In addition to quantitative statistics, visualizations of the vortex structures in the wake will also be provided and discussed. Results are compared and contrasted with previous experimental and numerical data for unstratified and stratified flow past a sphere.

  15. Periodically oscillating plasma sphere

    SciTech Connect

    Park, J.; Nebel, R.A.; Stange, S.; Murali, S. Krupakar

    2005-05-15

    The periodically oscillating plasma sphere, or POPS, is a novel fusion concept first proposed by D. C. Barnes and R. A. Nebel [Fusion Technol. 38, 28 (1998)]. POPS utilizes the self-similar collapse of an oscillating ion cloud in a spherical harmonic oscillator potential well formed by electron injection. Once the ions have been phase-locked, their coherent motion simultaneously produces very high densities and temperatures during the collapse phase of the oscillation. A requirement for POPS is that the electron injection produces a stable harmonic oscillator potential. This has been demonstrated in a gridded inertial electrostatic confinement device and verified by particle simulation. Also, the POPS oscillation has been confirmed experimentally through observation that the ions in the potential well exhibit resonance behavior when driven at the POPS frequency. Excellent agreement between the observed POPS frequencies and the theoretical predictions has been observed for a wide range of potential well depths and three different ion species. Practical applications of POPS require large plasma compressions. These large compressions have been observed in particle simulations, although space charge neutralization remains a major issue.

  16. Depletion, melting and reentrant solidification in mixtures of soft and hard colloids.

    PubMed

    Marzi, Daniela; Capone, Barbara; Marakis, John; Merola, Maria Consiglia; Truzzolillo, Domenico; Cipelletti, Luca; Moingeon, Firmin; Gauthier, Mario; Vlassopoulos, Dimitris; Likos, Christos N; Camargo, Manuel

    2015-11-14

    We present extensive experimental and theoretical investigations on the structure, phase behavior, dynamics and rheology of model soft-hard colloidal mixtures realized with large, multiarm star polymers as the soft component and smaller, compact stars as the hard one. The number and length of the arms in star polymers control their softness, whereas the size ratio, the overall density and the composition are additional parameters varied for the mixtures. A coarse-grained theoretical strategy is employed to predict the structure of the systems as well as their ergodicity properties on the basis of mode coupling theory, for comparison with rheological measurements on the samples. We discovered that dynamically arrested star-polymer solutions recover their ergodicity upon addition of colloidal additives. At the same time the system displays demixing instability, and the binodal of the latter meets the glass line in a way that leads, upon addition of a sufficient amount of colloidal particles, to an arrested phase separation and reentrant solidification. We present evidence for a subsequent solid-to-solid transition well within the region of arrested phase separation, attributed to a hard-sphere-mixture type of glass, due to osmotic shrinkage of the stars at high colloidal particle concentrations. We systematically investigated the interplay of star functionality and size ratio with glass melting and demixing, and rationalized our findings by the depletion of the big stars due to the smaller colloids. This new depletion potential in which, contrary to the classic colloid-polymer case, the hard component depletes the soft one, has unique and novel characteristics and allows the calculation of phase diagrams for such mixtures. This work covers a broad range of soft-hard colloidal mixture compositions in which the soft component exceeds the hard one in size and provides general guidelines for controlling the properties of such complex mixtures. PMID:26356800

  17. The derivation of scaling relationship between acoustic and electromagnetic scattering by spheres

    SciTech Connect

    Feng, Yongpan; Ge, Junxiang; Wan, Fayu

    2013-11-15

    The rigorous theory of the conversion between the scattering of uniform plane electromagnetic wave by a perfectly conducting sphere and the scattering of uniform plane acoustic wave by a rigid sphere is studied in this paper. The conversion formula between these two different scattering based on two calibration curves is derived, which describes the quantitative relationship between acoustic and electromagnetic wave scattering at arbitrary frequencies by spheres of arbitrary sizes. In addition, the scaling relationship of the sizes of those two spheres and the corresponding frequencies are discussed in detail, and an indirect method of measurement of electromagnetic scattering by the spheres is proposed.

  18. Mechanical Properties and Uniformity of Nanocrystalline Diamond Coating Deposited Around a Sphere by MPCVD

    NASA Astrophysics Data System (ADS)

    Chen, Hongyun; Gou, Li

    2015-12-01

    Nanocrystalline diamond coatings were deposited by MPCVD on the spheres used for a ball bearing. The nanocrystalline coatings with a grain size of 50 nm were confirmed by the surface morphology and composition analysis. The hardness of the coating is 20-40 GPa tested by nanoindentation, which is higher than that of tungsten carbide and silicon nitride substrates. The coating around the sphere observed from the Micro CT images is uniform with a thickness of 12 μm.

  19. Alternative approach of cell encapsulation by Volvox spheres.

    PubMed

    Teong, Benjamin; Manousakas, Ioannis; Chang, Shwu Jen; Huang, Han Hsiang; Ju, Kuen-Cheng; Kuo, Shyh Ming

    2015-10-01

    Volvox sphere is a bio-mimicking concept of a biomaterial structure design able to encapsulate chemicals, drugs and/or cells. The aim of this study was to prepare Volvox spheres encapsulating AML12 liver cells and mesenchymal stem cells (MSCs) via a high voltage electrostatic field system. The results demonstrated that AML12 liver cells and MSCs could be successfully encapsulated into the inner spheres and the outer sphere of the Volvox spheres. The improved cell viability of MSCs was achieved by the addition of collagen and polyethylene glycol into the preparation components of the Volvox spheres. Collagen material potentially provides extracellular matrix-like structure for cell adhesion while polyethylene glycol provides a void/loose space for permeability of metabolites. The encapsulated MSCs were able to differentiate into hepatocytes or hepatocyte-like cells and express liver cell markers including albumin, alpha feto-protein and cytokeratin 18. The encapsulated cells secreted albumin to about 140 ng on day 14. Based on these observations, we conclude that Volvox spheres can be used as an alternative approach to encapsulate multiple types of cells, here AML12 hepatocyte cell line and MSCs. Nevertheless, efforts are still needed to improve the viability of the encapsulated cells and increase the differentiation of MSCs into functional liver cells. PMID:26117741

  20. Theory of activated dynamics and glass transition of hard colloids in two dimensions.

    PubMed

    Zhang, Bo-kai; Li, Hui-shu; Tian, Wen-de; Chen, Kang; Ma, Yu-qiang

    2014-03-01

    The microscopic nonlinear Langevin equation theory is applied to study the localization and activated hopping of two-dimensional hard disks in the deeply supercooled and glass states. Quantitative comparisons of dynamic characteristic length scales, barrier, and their dependence on the reduced packing fraction are presented between hard-disk and hard-sphere suspensions. The dynamic barrier of hard disks emerges at higher absolute and reduced packing fractions and correspondingly, the crossover size of the dynamic cage which correlates to the Lindemann length for melting is smaller. The localization lengths of both hard disks and spheres decrease exponentially with packing fraction. Larger localization length of hard disks than that of hard spheres is found at the same reduced packing fraction. The relaxation time of hard disks rises dramatically above the reduced packing fraction of 0.88, which leads to lower reduced packing fraction at the kinetic glass transition than that of hard spheres. The present work provides a foundation for the subsequent study of the glass transition of binary or polydisperse mixtures of hard disks, normally adopted in experiments and simulations to avoid crystallization, and further, the rheology and mechanical response of the two-dimensional glassy colloidal systems. PMID:24606367

  1. Multiple scattering of a spherical acoustic wave from fluid spheres

    NASA Astrophysics Data System (ADS)

    Wu, J. H.; Liu, A. Q.; Chen, H. L.; Chen, T. N.

    2006-02-01

    The multiple scattering of a spherical acoustic wave from an arbitrary number of fluid spheres is investigated theoretically. The tool to attack the multiple scattering problem is a kind of addition formulas for the spherical wave functions, which are presented in the paper, based on the bicentric expansion form of Green function in the spherical coordinates. For an arbitrary configuration of N fluid spheres, the kind of addition formulas permits the field expansions (all referred to the center of each sphere). With these the sound fields scattered by each sphere can be described by a set of N equations. The interactions between any two fluid spheres are taken into account in these equations exactly and their coefficients are coupled through double sums in the spherical wave functions. By truncating the infinite series in the equations depending on certain calculation accuracy and solving the coefficients matrix by using the Gauss-Seidel iteration method, we can obtain the scattered sound field by the configuration of the fluid spheres. Finally, the scattering calculations by using the kind of addition formulas are carried out.

  2. 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...

  3. Ancient Celestial Spheres from Greece

    NASA Astrophysics Data System (ADS)

    Dimitrakoudis, S.; Papaspyrou, P.; Petoussis, V.; Moussas, X.

    2006-08-01

    We present several ancient celestial spheres from the 8th century B.C. found throughout Greece, mainly in Thessaly, at the temple of Itonia Athena, but also in Olympia and other places. These celestial spheres have an axis, equator and several meridians and they have several markings with the symbol of stars (today's symbol for the Sun) $\\odot$. Such instruments could have been used to measure the time, the latitude of a location, or the coordinates of stars.

  4. The SPHERE View of Betelgeuse

    NASA Astrophysics Data System (ADS)

    Chesneau, O.; Schmid, H.-M.; Carbillet, M.; Chiavassa, A.; Abe, L.; Mouillet, D.

    2013-05-01

    SPHERE, the Spectro-Polarimetric High-contrast Exoplanet REsearch instrument for the VLT is optimized towards reaching the highest contrast in a limited field of view and at short distances from the central star, thanks to an extreme AO system. SPHERE is very well suited to study the close environment of Betelgeuse, and has a strong potential for detecting the ejection activity around this key red supergiant.

  5. Random packing of spheres in Menger sponge

    NASA Astrophysics Data System (ADS)

    Cieśla, Michał; Barbasz, Jakub

    2013-06-01

    Random packing of spheres inside fractal collectors of dimension 2 < d < 3 is studied numerically using Random Sequential Adsorption (RSA) algorithm. The paper focuses mainly on the measurement of random packing saturation limit. Additionally, scaling properties of density autocorrelations in the obtained packing are analyzed. The RSA kinetics coefficients are also measured. Obtained results allow to test phenomenological relation between random packing saturation density and collector dimension. Additionally, performed simulations together with previously obtained results confirm that, in general, the known dimensional relations are obeyed by systems having non-integer dimension, at least for d < 3.

  6. Random packing of spheres in Menger sponge.

    PubMed

    Cieśla, Michał; Barbasz, Jakub

    2013-06-01

    Random packing of spheres inside fractal collectors of dimension 2 < d < 3 is studied numerically using Random Sequential Adsorption (RSA) algorithm. The paper focuses mainly on the measurement of random packing saturation limit. Additionally, scaling properties of density autocorrelations in the obtained packing are analyzed. The RSA kinetics coefficients are also measured. Obtained results allow to test phenomenological relation between random packing saturation density and collector dimension. Additionally, performed simulations together with previously obtained results confirm that, in general, the known dimensional relations are obeyed by systems having non-integer dimension, at least for d < 3. PMID:23758392

  7. Ricochet of sphere off water

    NASA Astrophysics Data System (ADS)

    Shoockron, Joseph

    1989-06-01

    This work deals with the analysis and calculation of the critical angle for the ricochet of a sphere off water. The critical angle is defined as the maximum incidence angle of a sphere over water which enables it to ricochet. This work presents the development and calculation of the forces acting on the sphere during its entry into the water. Since the critical angle is very sensitive to the hydrodynamic forces, the accurate development and calculation of these forces has been emphasized in some previous methods. There is a simple empirical formula for calculation of the critical angle, which is theta(sub c) = 18 deg/square root of zeta, where theta(sub c) is the critical angle and zeta is the ratio between the density of the sphere and the density of the water. Likewise, there are works which give a theoretical basis to the above-mentioned formula. This formula does not depend on the incidence velocity of the sphere or on the sphere radius, these being parameters that affect the critical angle. In this work it is verified that the critical angle depends on these added parameters, in the form of the F(sub r) number, where F(sub r) = V(exp 2)/Rg.

  8. Scattering of sound by a penetrable sphere above a plane boundary

    NASA Astrophysics Data System (ADS)

    Lui, Wai Keung; Li, Kai Ming

    2002-11-01

    The problem of acoustic scattering by a penetrable sphere irradiated by a point source is investigated. A theoretical model is developed for the case of scattering by a sphere placed above an acoustically hard and an impedance boundary. The sphere is made of an extended reaction material that is assumed to be acoustically penetrable. The problems are tackled by using the technique of variables separation and appropriate wave field expansions. By adopting an image source method, the solutions can be formulated in form of multiscattering interaction between the sphere and the image sphere near a hard and an impedance boundary. The effect of boundary impedance on the reflected sound fields is incorporated in the numerical model by using the well-known Wely-van der Pol formula. Preliminary indoor measurements are conducted in an anechoic chamber for the characterization of the acoustical properties of the penetrable sphere as well as the impedance boundary. A further set of experimental measurements is carried out to demonstrate the validity of the proposed theoretical models for various receiver locations around the sphere above the impedance boundary. [Work sponsored by the Innovation & Technology Commission, MTR Corp. Ltd., and The Hong Kong Polytechnic University under Project No. ZM07.

  9. Nematic ordering and defects on the surface of a sphere: A Monte Carlo simulation study

    NASA Astrophysics Data System (ADS)

    Bates, Martin A.

    2008-03-01

    We examine the ordering of hard rods on the surface of a sphere using computer simulations. As predicted by previous theories of thin nematic shells we observe four s =+1/2 defects. However, the predicted tetrahedral symmetry for the defects and the "baseball" director configuration is not observed. Instead the four defects are located, on average, on a great circle which splits the sphere into two hemispheres, each of which has a splay dominated director configuration. We argue that this result occurs as the bend elastic constant for hard rods is much larger than the splay elastic constant.

  10. Method for producing dustless graphite spheres from waste graphite fines

    DOEpatents

    Pappano, Peter J; Rogers, Michael R

    2012-05-08

    A method for producing graphite spheres from graphite fines by charging a quantity of spherical media into a rotatable cylindrical overcoater, charging a quantity of graphite fines into the overcoater thereby forming a first mixture of spherical media and graphite fines, rotating the overcoater at a speed such that the first mixture climbs the wall of the overcoater before rolling back down to the bottom thereby forming a second mixture of spherical media, graphite fines, and graphite spheres, removing the second mixture from the overcoater, sieving the second mixture to separate graphite spheres, charging the first mixture back into the overcoater, charging an additional quantity of graphite fines into the overcoater, adjusting processing parameters like overcoater dimensions, graphite fines charge, overcoater rotation speed, overcoater angle of rotation, and overcoater time of rotation, before repeating the steps until graphite fines are converted to graphite spheres.

  11. The role of attractive interactions in rod-sphere mixtures.

    PubMed

    Antypov, Dmytro; Cleaver, Douglas J

    2004-06-01

    We present a computer simulation study of binary mixtures of prolate Gay-Berne particles and Lennard-Jones spheres. Results are presented for three such rod-sphere systems which differ from each other only in the interaction between unlike particles. Both the mixing-demixing behavior and the transitions between the isotropic and any liquid crystalline phases are studied for each system, as a function of temperature and concentration ratio. For systems which show macroscopic demixing, the rod-sphere interaction is shown to give direct control over interfacial anchoring properties, giving rise to the possibility of micellar phase formation in the case of homeotropic anchoring. Additionally, it is shown that on incorporating high concentrations of spheres into a system of rods with weak demixing properties, microphase-separated structures can be induced, including bicontinuous and lamellar arrangements. PMID:15268056

  12. Porous Ceramic Spheres From Cation Exchange Beads

    NASA Technical Reports Server (NTRS)

    Dynys, Fred

    2005-01-01

    This document is a slide presentation that examines the use of a simple templating process to produce hollow ceramic spheres with a pore size of 1 to 10 microns. Using ion exchange process it was determined that the method produces porous ceramic spheres with a unique structure: (i.e., inner sphere surrounded by an outer sphere.)

  13. 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. PMID:21054127

  14. 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.

  15. 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.

  16. CuO embedded chitosan spheres as antibacterial adsorbent for dyes.

    PubMed

    Khan, Sher Bahadar; Ali, Fayaz; Kamal, Tahseen; Anwar, Yasir; Asiri, Abdullah M; Seo, Jongchul

    2016-07-01

    Chitosan/copper oxide (CS/CuO) composite spheres were prepared by simple mixing of CuO nanomaterials in CS solution followed by dropwise addition to NH4OH solution. The characterizations of all the prepared spheres were carried out by FESEM, EDS, XRD, XPS, and FTIR analyses while the thermal properties were analyzed by TGA. Further the ability of composite spheres was tested as an easily removable pollutant adsorbent from water containing different dyes and compared with pure CS. Composite spheres were found to be the best adsorbent when applied to remove indigo carmine (IC), congo red (CR) and methyl orange (MO) from water. Amongst the three dyes, CS/CuO composite spheres were more selective toward MO adsorption. CS/CuO composite spheres also displayed significant antibacterial activity by inhibiting Pseudomonas aeruginosa growth. Thus the fabricated composite spheres can be used as a biosorbent in the future. PMID:26993528

  17. Free vibration of layered magnetoelectroelastic spheres.

    PubMed

    Heyliger, P R; Pan, E

    2016-08-01

    A discrete-layer model is presented and applied to the free vibration of layered anisotropic spheres with coupling among the elastic, electric, and magnetic fields. Through-thickness approximations in the radial direction are pre-integrated and combined with independent approximations in the azimuthal and circumferential directions to provide estimates of the natural frequencies for a variety of representative geometries. Results are in excellent agreement with existing analytical studies and additional results are presented for higher-order spheroidal modes. Predictions of the level of influence of magnetoelectric coupling are also given. PMID:27586731

  18. 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.

  19. Random sphere packing model of heterogeneous propellants

    NASA Astrophysics Data System (ADS)

    Kochevets, Sergei Victorovich

    It is well recognized that combustion of heterogeneous propellants is strongly dependent on the propellant morphology. Recent developments in computing systems make it possible to start three-dimensional modeling of heterogeneous propellant combustion. A key component of such large scale computations is a realistic model of industrial propellants which retains the true morphology---a goal never achieved before. The research presented develops the Random Sphere Packing Model of heterogeneous propellants and generates numerical samples of actual industrial propellants. This is done by developing a sphere packing algorithm which randomly packs a large number of spheres with a polydisperse size distribution within a rectangular domain. First, the packing code is developed, optimized for performance, and parallelized using the OpenMP shared memory architecture. Second, the morphology and packing fraction of two simple cases of unimodal and bimodal packs are investigated computationally and analytically. It is shown that both the Loose Random Packing and Dense Random Packing limits are not well defined and the growth rate of the spheres is identified as the key parameter controlling the efficiency of the packing. For a properly chosen growth rate, computational results are found to be in excellent agreement with experimental data. Third, two strategies are developed to define numerical samples of polydisperse heterogeneous propellants: the Deterministic Strategy and the Random Selection Strategy. Using these strategies, numerical samples of industrial propellants are generated. The packing fraction is investigated and it is shown that the experimental values of the packing fraction can be achieved computationally. It is strongly believed that this Random Sphere Packing Model of propellants is a major step forward in the realistic computational modeling of heterogeneous propellant of combustion. In addition, a method of analysis of the morphology of heterogeneous

  20. SPHERES: From Ground Development to Operations on ISS

    NASA Technical Reports Server (NTRS)

    Katterhagen, A.

    2015-01-01

    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 Facility on ISS is managed and operated by the SPHERES National Lab Facility at 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. To help make science a reality on the ISS, the SPHERES ARC team supports a Guest Scientist Program (GSP). This program allows anyone with new science the possibility to interface with the SPHERES team and hardware. In addition to highlighting the available SPHERES hardware on ISS and on the ground, this presentation will also highlight ground support, facilities, and resources available to guest researchers. Investigations on the ISS evolve through four main phases: Strategic, Tactical, Operations, and Post Operations. The Strategic Phase encompasses early planning beginning with initial contact by the Principle Investigator (PI) and the SPHERES program who may work with the PI to assess what assistance the PI may need. Once the basic parameters are understood, the investigation moves to the Tactical Phase which involves more detailed planning, development, and testing. Depending on the nature of the investigation, the tactical phase may be split into the Lab Tactical Phase or the ISS Tactical Phase due to the difference in requirements for the two destinations. The Operations Phase is when the actual science is performed; this can be either in the lab, or on the ISS. The Post Operations Phase encompasses data analysis and distribution, and generation of summary status and reports. The SPHERES Operations and Engineering teams at ARC is composed of

  1. Construction of adhesion maps for contacts between a sphere and a half-space: Considering size effects of the sphere.

    PubMed

    Zhang, Yuyan; Wang, Xiaoli; Li, Hanqing; Yang, Weixu

    2015-11-15

    Previous adhesion maps, such as the JG (Johnson-Greenwood) and YCG (Yao-Ciavarella-Gao) maps, are used to guide the selection of Bradley, DMT, M-D, JKR and Hertz models. However, when the size of the contact sphere decreases to the small scale, the applicability of JG and YCG maps is limited because the assumptions regarding the contact region profile, interaction between contact bodies and sphere shape in the classical models constituting these two maps are no longer valid. To avoid this limitation, in this paper, a new numerical model considering size effects of the sphere is established first and then introduced into the new adhesion maps together with the YGG (Yao-Guduru-Gao) model and Hertz model. Regimes of these models in the new map under a certain sphere radius are demarcated by the criteria related to the relative force differences and the ratio of contact radius to sphere radius. In addition, the approaches at pull-off, jump-in and jump-out for different Tabor parameters and sphere radii are provided in the new maps. Finally, to make the new maps more feasible, the numerical results of approaches, force and contact radius involved in the maps are formularized by using the piecewise fitting. PMID:26232732

  2. LAGO on the unit sphere.

    PubMed

    Laflamme-Sanders, Alexandra; Zhu, Mu

    2008-11-01

    LAGO is an efficient kernel algorithm designed specifically for the rare target detection problem. However, unlike other kernel algorithms, LAGO cannot be easily used with many domain-specific kernels. We solve this problem by first providing a unified framework for LAGO and clarifying its basic principle, and then applying that principle on the unit sphere instead of in the Euclidean space. PMID:18775643

  3. Simple manipulator for rotating spheres.

    PubMed

    Weinstein, B W; Hendricks, C D; Ward, C M; Willenborg, D L

    1978-06-01

    We describe a simple device for rapidly rotating a small sphere to any orientation for inspection of the surface. The ball is held between two small, flat surfaces and rolls as the surfaces are moved differentially parallel to one another. PMID:18699214

  4. Wear of hard materials by hard particles

    SciTech Connect

    Hawk, Jeffrey A.

    2003-10-01

    Hard materials, such as WC-Co, boron carbide, titanium diboride and composite carbide made up of Mo2C and WC, have been tested in abrasion and erosion conditions. These hard materials showed negligible wear in abrasion against SiC particles and erosion using Al2O3 particles. The WC-Co materials have the highest wear rate of these hard materials and a very different material removal mechanism. Wear mechanisms for these materials were different for each material with the overall wear rate controlled by binder composition and content and material grain size.

  5. Future hard disk drive systems

    NASA Astrophysics Data System (ADS)

    Wood, Roger

    2009-03-01

    This paper briefly reviews the evolution of today's hard disk drive with the additional intention of orienting the reader to the overall mechanical and electrical architecture. The modern hard disk drive is a miracle of storage capacity and function together with remarkable economy of design. This paper presents a personal view of future customer requirements and the anticipated design evolution of the components. There are critical decisions and great challenges ahead for the key technologies of heads, media, head-disk interface, mechanics, and electronics.

  6. Functionalized polymer spheres via one-step photoinduced synthesis for antimicrobial activity and gene delivery

    NASA Astrophysics Data System (ADS)

    Wang, Chia-Wei; Tseng, S.-Ja; Peng, Shu-Fen; Hwu, Yeu-Kuang; Lin, Chung-Kwei

    2012-06-01

    Despite the fact that polystyrene (PS) spheres have been developed as polymeric carriers or matrices for various biomedical applications, the synthesis of PS spheres is time-consuming. This work describes the fabrication of a uniform PS sphere, coated with silver nanoparticles (Ag-PS), by simultaneous photoinduced polymerization and reduction fabricated using x-rays in aqueous solution without any initiator. The solution contains only styrene, silver ions (Ag+), and poly(vinyl pyrrolidone) (PVP) as a stabilizer. The proposed mechanism of the formation of the Ag-PS nanocomposite spheres involves the generation of radicals in the aqueous solution to induce PS polymerization and the reduction of Ag. The distribution of the sizes of the core PS spheres in the Ag-PS nanocomposite spheres was systematically examined as a function of irradiation time, concentration of styrene, and amount of PVP. Ag-PS nanocomposite spheres exhibit antimicrobial activity against bacteria (Escherichia coli and Staphylococcus aureus). Additionally, the cationic (vinylbenzyl)trimethylammonium (TMA) monomer was photopolymerized to form positively charged TMA-PS spheres as gene carriers with uniquely low cytotoxicity. Given these design advantages, the method proposed herein is simpler than typical approaches for synthesizing PS spheres with functionalized groups and PS spheres coated with Ag nanoparticles.

  7. 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...

  8. Tessellating the Sphere with Regular Polygons

    ERIC Educational Resources Information Center

    Soto-Johnson, Hortensia; Bechthold, Dawn

    2004-01-01

    Tessellations in the Euclidean plane and regular polygons that tessellate the sphere are reviewed. The regular polygons that can possibly tesellate the sphere are spherical triangles, squares and pentagons.

  9. Characterization of maximally random jammed sphere packings. II. Correlation functions and density fluctuations.

    PubMed

    Klatt, Michael A; Torquato, Salvatore

    2016-08-01

    In the first paper of this series, we introduced Voronoi correlation functions to characterize the structure of maximally random jammed (MRJ) sphere packings across length scales. In the present paper, we determine a variety of different correlation functions that arise in rigorous expressions for the effective physical properties of MRJ sphere packings and compare them to the corresponding statistical descriptors for overlapping spheres and equilibrium hard-sphere systems. Such structural descriptors arise in rigorous bounds and formulas for effective transport properties, diffusion and reactions constants, elastic moduli, and electromagnetic characteristics. First, we calculate the two-point, surface-void, and surface-surface correlation functions, for which we derive explicit analytical formulas for finite hard-sphere packings. We show analytically how the contact Dirac delta function contribution to the pair correlation function g_{2}(r) for MRJ packings translates into distinct functional behaviors of these two-point correlation functions that do not arise in the other two models examined here. Then we show how the spectral density distinguishes the MRJ packings from the other disordered systems in that the spectral density vanishes in the limit of infinite wavelengths; i.e., these packings are hyperuniform, which means that density fluctuations on large length scales are anomalously suppressed. Moreover, for all model systems, we study and compute exclusion probabilities and pore size distributions, as well as local density fluctuations. We conjecture that for general disordered hard-sphere packings, a central limit theorem holds for the number of points within an spherical observation window. Our analysis links problems of interest in material science, chemistry, physics, and mathematics. In the third paper of this series, we will evaluate bounds and estimates of a host of different physical properties of the MRJ sphere packings that are based on the

  10. Chiral Structures of Thermoresponsive Soft Spheres in Hollow Cylinders

    NASA Astrophysics Data System (ADS)

    Lohr, Matthew A.; Alsayed, Ahmed; Zhang, Zexin; Yodh, Arjun G.

    2009-03-01

    We experimentally observe the formation of closely packed crystalline structures in hollow cylinders. The structures have varying degrees of chiral order. The systems are created from aqueous suspensions of thermoresponsive N-isopropylacrylamide (NIPA) microgel particles packed in micron-diameter glass capillaries. We categorize these structures according to classifications used by Erickson for tubular packings of hard spheres [1]. By varying the temperature-tunable diameter of these particles, the system's volume fraction is changed, permitting observations of the resilience of these structures and their melting transitions. Melting of these thermal crystalline structures is observed. [1] R. O. Erickson, Science 181 (1973) 705-716.

  11. Colloidal rod-sphere mixtures: fluid-fluid interfaces and the Onsager limit.

    PubMed

    Brader, Joseph M; Esztermann, Ansgar; Schmidt, Matthias

    2002-09-01

    Using a geometry-based density functional theory we investigate the free interface between demixed bulk fluid phases of a colloidal mixture of hard spheres and vanishingly thin needles. Results are presented for the spatial and orientational density distributions of the particles, as well as for the interface tension. Density profiles display oscillations on the sphere-rich side of the interface provided the sphere liquid phase is on the oscillatory side of the Fisher-Widom line in the bulk phase diagram. Needles tend to align parallel (perpendicular) to the interface on the needle-rich (sphere-rich) side displaying biaxial (uniaxial) order. Furthermore, we generalize the theory to the Onsager limit for interacting rods, and give explicit expressions for the functional in simple geometries. PMID:12366111

  12. Eddy currents in a conducting sphere

    NASA Technical Reports Server (NTRS)

    Bergman, John; Hestenes, David

    1986-01-01

    This report analyzes the eddy current induced in a solid conducting sphere by a sinusoidal current in a circular loop. Analytical expressions for the eddy currents are derived as a power series in the vectorial displacement of the center of the sphere from the axis of the loop. These are used for first order calculations of the power dissipated in the sphere and the force and torque exerted on the sphere by the electromagnetic field of the loop.

  13. Fear not the tectosphere (and other -spheres)

    NASA Astrophysics Data System (ADS)

    Lee, C. A.

    2004-12-01

    Based on a highly unrepresentative sampling of the community, not unlike Fox news polls, it has been recognized that the use of words having the suffix "-sphere" is confused and often abused. Such words include lithosphere, asthenosphere, perisphere, tectosphere, and mesosphere. In addition, there appears to be equal confusion in the use of the related terms: mechanical boundary layer, thermal boundary layer, chemical boundary layer, low velocity zone, low viscosity zone, effective elastic thickness, etc. This confusion is not confined to beginning students of the Earth sciences but is also manifest in seasoned Earth scientists (including myself), that is, it is not uncommon to find a geochemist and a geophysicist with completely different definitions of "lithosphere" and "tectosphere", for example. In this poster, an attempt will be made to illustrate the concepts behind some of these terms using visual and verbal aids. One of the focuses, could be the concept of a tectosphere, which may go something like this: A Wise maN once said to me; That cOntinents float because they are light; Then said my dog - DiorITE; Oceans sInk because they are heavy; And so I ask, why miGht this be?; With a Laugh and a Bark, she says the oceans are cOld; And to test if she's rigHT; I stick a tHermometer in the continent's core; To my surprise coNtinents are cold, if not more; So something does not Jive; A parAdox has come alive; Perhaps you surMise that the story is not coMplete; Indeed, you may be right; BecausE under the contiNents lie Green rocks - PerIdotite!; InFertile as Hell and fortuitouslY light; Together they fOrm the TecToSphere; And this is why we are here; Fear not the TecToSphere.

  14. Coating a Sphere With Evaporated Metal

    NASA Technical Reports Server (NTRS)

    Strayer, D. M.; Jackson, H. W.; Gatewood, J. R.

    1986-01-01

    In vacuum coating apparatus, metal evaporated onto sphere from small source located some distance away. Sphere held in path of metal vapor while rotated about axis that rocks back and forth. One tilting motion particularly easy to produce is sinusoidal rocking with frequency much lower than rotational frequency. Apparatus developed for coating single-crystal sapphire spheres with niobium.

  15. Phase behavior of mixtures of colloidal rods and spheres

    NASA Astrophysics Data System (ADS)

    Adams, Marie Elizabeth

    In this thesis we study entropy driven order in mixtures of rods and spheres. Systems of rod-like particles, as pure systems, exhibit rich liquid crystalline phase behavior. We chose to work with aqueous suspensions of either TMV or fd virus particles, both rod-like lyotropic systems. We complicate the phase behavior by adding a second component, colloidal spheres (PEG/PEO, BSA, polystyrene latex, or Dextran). Our first paper explores the phase behavior of TMV mixed with BSA or PEO, mapping out a phase diagram based on optical microscopy observations. We found our qualitative observations of TMV mixtures to be consistent with theoretical models of the depletion force. The second paper extends our study of phase behavior to mixtures of fd virus and polystyrene latex spheres. We qualitatively observe bulk demixing for very small diameter added spheres and for very large diameter added spheres. In addition, we observed microphase separation morphologies, such as lamellar and columnar structures, which formed for fd mixed with polystyrene latex spheres 0.1 microns in diameter. All of these microphase samples were viewed with differential interference microscopy (a few samples were further investigated using electron microscopy). Both our data and theoretical calculations illustrated that 0.1 micron diameter spheres have a stabilizing effect on the smectic phase. Our final work focused on fd virus mixed with Dextran. The purpose of these experiments was to examine the effect of added polymer on the isotropic-cholesteric co-existence region. I-Ch samples were prepared and fd and Dextran concentrations were measured using a spectrophotometer. Several conditions were explored, including two different molecular weights of Dextran and a range of ionic strengths. In agreement with theoretical predictions, the I-Ch coexistence region widens with added Dextran with the polymer preferentially partioned into the isotropic phase.

  16. Tin-wall hollow ceramic spheres from slurries. Final report

    SciTech Connect

    Chapman, A.T.; Cochran, J.K.

    1992-12-31

    The overall objective of this effort was to develop a process for economically fabricating thin-wall hollow ceramic spheres from conventional ceramic powders using dispersions. This process resulted in successful production of monosized spheres in the mm size range which were point contact bonded into foams. Thin-wall hollow ceramic spheres of small (one to five millimeter) diameter have novel applications as high-temperature insulation and light structural materials when bonded into monolithic foams. During Phase 1 of this program the objective as to develop a process for fabricating thin-wall hollow spheres from powder slurries using the coaxial nozzle fabrication method. Based on the success during Phase 1, Phase 2 was revised to emphasize the assessment of the potential structural and insulation applications for the spheres and modeling of the sphere formation process was initiated. As more understanding developed, it was clear that to achieve successful structural application, the spheres had to be bonded into monolithic foams and the effort was further expanded to include both bonding into structures and finite element mechanical modeling which became the basis of Phase 3. Successful bonding techniques and mechanical modeling resulted but thermal conductivities were higher than desired for insulating activities. In addition, considerable interest had been express by industry for the technology. Thus the final Phase 4 concentrated on methods to reduce thermal conductivity by a variety of techniques and technology transfer through individualized visits. This program resulted in three Ph.D. theses and 10 M.S. theses and they are listed in the appropriate technical sections.

  17. Virial coefficients and equation of state of hard chain molecules

    NASA Astrophysics Data System (ADS)

    Boublík, Tomáš

    2003-10-01

    The second, third, and fourth virial coefficients of hard chain molecules with number of segments up to 10 (up to 7 in the case of the fourth one) and the reduced distances L*=1 and 0.5 were determined numerically. For fused hard sphere (FHS) molecules the enlarged fused hard sphere model is introduced which forms a connection to the hard convex geometry and makes it possible to determine the virial coefficients of FHS molecules from the expressions derived for hard convex bodies. Our numerical values of the virial coefficients together with data from literature are used to test the proposed method and to compare its results with values from Wertheim's theory, from its modified version and from the generalized Flory dimer approach. It is found that prediction of the second virial coefficient is very accurate (for L=0.5 the maximum deviation amounts 0.2 percent) and that our values of the third virial coefficient for higher members of the FHS family are superior to those from other considered methods. The model is successfully used to predict geometric characteristics of the hard models of n-butane conformers and to estimate their second virial coefficients. The equation of state of hard prolate spherocylinders in which the nonsphericity parameters of the enlarged FHS model are considered is used to predict the P-V-T behavior of hard dumbbells, hard triatomics, mixture of hard dumbells of different site-site distances, and n-butane taken as a mixture of conformers. In all the cases prediction within error bars is obtained.

  18. Archaic artifacts resembling celestial spheres

    NASA Astrophysics Data System (ADS)

    Dimitrakoudis, S.; Papaspyrou, P.; Petoussis, V.; Moussas, X.

    We present several bronze artifacts from the Archaic Age in Greece (750-480 BC) that resemble celestial spheres or forms of other astronomical significance. They are studied in the context of the Dark Age transition from Mycenaean Age astronomical themes to the philosophical and practical revival of astronomy in the Classical Age with its plethora of astronomical devices. These artifacts, mostly votive in nature are spherical in shape and appear in a variety of forms their most striking characteristic being the depiction of meridians and/or an equator. Most of those artifacts come from Thessaly, and more specifically from the temple of Itonia Athena at Philia, a religious center of pan-Hellenic significance. Celestial spheres, similar in form to the small artifacts presented in this study, could be used to measure latitudes, or estimate the time at a known place, and were thus very useful in navigation.

  19. Habermas, "Philosophes," and Puritans: Rationality and Exclusion in the Dialectical Public Sphere.

    ERIC Educational Resources Information Center

    Roberts, Patricia

    1996-01-01

    Takes issue with J. Habermas's partiality for the dialectical (or rational-critical) over the rhetorical sphere. Shows that in two cases (in addition to the 18th-century "philosophes") such a sphere was conducive to circularity, insularity, and exclusion. Focuses on the discourse of the proponents of communicative ethics and the 17th-century…

  20. 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.

  1. SILSS: SPHERE/IRDIS Long-Slit Spectroscopy pipeline

    NASA Astrophysics Data System (ADS)

    Vigan, Arthur

    2016-03-01

    The ESO's VLT/SPHERE instrument includes a unique long-slit spectroscopy (LSS) mode coupled with Lyot coronagraphy in its infrared dual-band imager and spectrograph (IRDIS) for spectral characterization of young, giant exoplanets detected by direct imaging. The SILSS pipeline is a combination of the official SPHERE pipeline and additional custom IDL routines developed within the SPHERE consortium for the speckle subtraction and spectral extraction of a companion's spectrum; it offers a complete end-to-end pipeline, from raw data (science+calibrations) to a final spectrum of the companion. SILSS works on both the low-resolution (LRS) and medium-resolution (MRS) data, and allows correction for some of the known biases of the instrument. Documentation is included in the header of the main routine of the pipeline.

  2. The Sphere Anemometer - A Fast Alternative to Cup Anemometry

    NASA Astrophysics Data System (ADS)

    Heißelmann, Hendrik; Hölling, Michael; Peinke, Joachim

    The main problem of cup anemometry is the different response time for increasing and decreasing wind velocities due to its moment of inertia. This results in an overestimation of wind speed under turbulent wind conditions, the so-called over-speeding. Additionally, routine calibrations are necessary due to the wear of bearings. Motivated by these problems the sphere anemometer, a new simple and robust sensor for wind velocity measurements without moving parts, was developed at the University of Oldenburg. In contrast to other known thrust-based sensors, the sphere anemometer uses the light pointer principle to detect the deflection of a bending tube caused by the drag force acting on a sphere mounted at its top. This technique allows the simultaneous determination of wind speed and direction via a two-dimensional position sensitive detector.

  3. Generating perfect fluid spheres in general relativity

    NASA Astrophysics Data System (ADS)

    Boonserm, Petarpa; Visser, Matt; Weinfurtner, Silke

    2005-06-01

    Ever since Karl Schwarzschild’s 1916 discovery of the spacetime geometry describing the interior of a particular idealized general relativistic star—a static spherically symmetric blob of fluid with position-independent density—the general relativity community has continued to devote considerable time and energy to understanding the general-relativistic static perfect fluid sphere. Over the last 90 years a tangle of specific perfect fluid spheres has been discovered, with most of these specific examples seemingly independent from each other. To bring some order to this collection, in this article we develop several new transformation theorems that map perfect fluid spheres into perfect fluid spheres. These transformation theorems sometimes lead to unexpected connections between previously known perfect fluid spheres, sometimes lead to new previously unknown perfect fluid spheres, and in general can be used to develop a systematic way of classifying the set of all perfect fluid spheres.

  4. On the laser beam cutting of metallic hollow sphere structures

    NASA Astrophysics Data System (ADS)

    Riegel, H.; Fruhstuck, J.; Merkel, M.; Winkler, R.; Öchsner, A.

    2013-02-01

    Metal hollow sphere structures (MHSS) represent a group of advanced composite materials. A high geometric reproducibility leads to relatively constant mechanical and physical properties. Therefore MHSS combine the advantages of cellular metals without a big scattering of the material properties. Several joining technologies can be used to assemble single metallic hollow spheres to a interdependent structure like sintering, soldering and adhering. This allows adjusting of variable macroscopic attitudes. A cutting process for MHSS needs to reflect the special characteristic of the composite material. In this paper laser beam cutting is presented as an efficient technology. The small amount of heat being involved during the process results in a small heat affected zone. All investigations were done with MHSS having different macroscopic dimensions (length, width, thickness, joining technology). The experimental work was done by a CO2-laser. The cut depth is governed by the heat input per unit length and the MHSS density. Finite element analysis was used to predict heat flux and temperature level for different geometric parameters of the spheres (diameter, wall thickness). The numerical simulation allows a detailed analysis of the physical process in the zone that is influenced by the laser beam and which can hardly be analysed by measuring technique. The models for the static and transient finite element analysis consider heat conduction and convection.

  5. Ordering of hard particles between hard walls

    NASA Astrophysics Data System (ADS)

    Chrzanowska, A.; Teixeira, P. I. C.; Ehrentraut, H.; Cleaver, D. J.

    2001-05-01

    The structure of a fluid of hard Gaussian overlap particles of elongation κ = 5, confined between two hard walls, has been calculated from density-functional theory and Monte Carlo simulations. By using the exact expression for the excluded volume kernel (Velasco E and Mederos L 1998 J. Chem. Phys. 109 2361) and solving the appropriate Euler-Lagrange equation entirely numerically, we have been able to extend our theoretical predictions into the nematic phase, which had up till now remained relatively unexplored due to the high computational cost. Simulation reveals a rich adsorption behaviour with increasing bulk density, which is described semi-quantitatively by the theory without any adjustable parameters.

  6. The electromagnetic radiation from simple sources in the presence of a homogeneous dielectric sphere

    NASA Technical Reports Server (NTRS)

    Mason, V. B.

    1973-01-01

    In this research, the effect of a homogeneous dielectric sphere on the electromagnetic radiation from simple sources is treated as a boundary value problem, and the solution is obtained by the technique of dyadic Green's functions. Exact representations of the electric fields in the various regions due to a source located inside, outside, or on the surface of a dielectric sphere are formulated. Particular attention is given to the effect of sphere size, source location, dielectric constant, and dielectric loss on the radiation patterns and directivity of small spheres (less than 5 wavelengths in diameter) using the Huygens' source excitation. The computed results are found to closely agree with those measured for waveguide-excited plexiglas spheres. Radiation patterns for an extended Huygens' source and for curved electric dipoles located on the sphere's surface are also presented. The resonance phenomenon associated with the dielectric sphere is studied in terms of the modal representation of the radiated fields. It is found that when the sphere is excited at certain frequencies, much of the energy is radiated into the sidelobes. The addition of a moderate amount of dielectric loss, however, quickly attenuates this resonance effect. A computer program which may be used to calculate the directivity and radiation pattern of a Huygens' source located inside or on the surface of a lossy dielectric sphere is listed.

  7. Schistosoma mansoni in a low-prevalence area in Brazil: the importance of additional methods for the diagnosis of hard-to-detect individual carriers by low-cost immunological assays

    PubMed Central

    Grenfell, Rafaella Fortini Queiroz; Martins, Watson; Enk, Martin; Almeida, Áureo; Siqueira, Liliane; Silva-Moraes, Vanessa; Oliveira, Edward; Carneiro, Nídia Francisca de Figueiredo; Coelho, Paulo Marcos Zech

    2013-01-01

    Schistosomiasis diagnosis is based on the detection of eggs in the faeces, which is laborious and lacks sensitivity, especially for patients with a low parasite burden. Immunological assays for specific antibody detection are available, but they usually demonstrate low sensitivity and/or specificity. In this study, two simple immunological assays were evaluated for the detection of soluble Schistosoma mansoni adult worm preparation (SWAP) and egg-specific IgGs. These studies have not yet been evaluated for patients with low parasite burdens. Residents of an endemic area in Brazil donated sera and faecal samples for our study. The patients were initially diagnosed by a rigorous Kato-Katz analysis of 18 thick smears from four different stool samples. The ELISA-SWAP was successful for human diagnosis with 90% sensitivity and specificity, confirming the Kato-Katz diagnosis with nearly perfect agreement, as seen by the Kappa index (0.85). Although the ELISA-soluble S. mansoni egg antigen was 85% sensitive, it exhibited low specificity (80%; Kappa index: 0.75) and was more susceptible to cross-reactivity. We believe that immunological assays should be used in conjunction with Kato-Katz analysis as a supplementary tool for the diagnosis of schistosomiasis for patients with low infection burdens, which are usually hard to detect. PMID:23778663

  8. Perturbative Casimir Energies of Spheres

    NASA Astrophysics Data System (ADS)

    Barton, G.

    The Casimir energies of single bodies (as opposed to the interaction between mutually disjoint bodies) have accumulated deceptive folklore which this talk will try to exorcise, by mean of calculations for atomic solids that, though optically dilute, are realistically dispersive. This is easy, because quantum electrodynamics then yields identically the same energy as one gets from the properly retarded interatomic potentials. The problem of regularizing (nominal) divergences turns out to be quite distinct from the appropriate process of renormalization: simply discarding all nominally divergent contributions would prevent one from understanding the physics. Contrary to legend, the pertinent Casimir energies for dielectric spheres are attractive.

  9. Session: Hard Rock Penetration

    SciTech Connect

    Tennyson, George P. Jr.; Dunn, James C.; Drumheller, Douglas S.; Glowka, David A.; Lysne, Peter

    1992-01-01

    This session at the Geothermal Energy Program Review X: Geothermal Energy and the Utility Market consisted of five presentations: ''Hard Rock Penetration - Summary'' by George P. Tennyson, Jr.; ''Overview - Hard Rock Penetration'' by James C. Dunn; ''An Overview of Acoustic Telemetry'' by Douglas S. Drumheller; ''Lost Circulation Technology Development Status'' by David A. Glowka; ''Downhole Memory-Logging Tools'' by Peter Lysne.

  10. Hardness Tester for Polyur

    NASA Technical Reports Server (NTRS)

    Hauser, D. L.; Buras, D. F.; Corbin, J. M.

    1987-01-01

    Rubber-hardness tester modified for use on rigid polyurethane foam. Provides objective basis for evaluation of improvements in foam manufacturing and inspection. Typical acceptance criterion requires minimum hardness reading of 80 on modified tester. With adequate correlation tests, modified tester used to measure indirectly tensile and compressive strengths of foam.

  11. The hard metal diseases.

    PubMed

    Cugell, D W

    1992-06-01

    Hard metal is a mixture of tungsten carbide and cobalt, to which small amounts of other metals may be added. It is widely used for industrial purposes whenever extreme hardness and high temperature resistance are needed, such as for cutting tools, oil well drilling bits, and jet engine exhaust ports. Cobalt is the component of hard metal that can be a health hazard. Respiratory diseases occur in workers exposed to cobalt--either in the production of hard metal, from machining hard metal parts, or from other sources. Adverse pulmonary reactions include asthma, hypersensitivity pneumonitis, and interstitial fibrosis. A peculiar, almost unique form of lung fibrosis, giant cell interstitial pneumonia, is closely linked with cobalt exposure. PMID:1511554

  12. Visual attention on the sphere.

    PubMed

    Bogdanova, Iva; Bur, Alexandre; Hugli, Heinz

    2008-11-01

    Human visual system makes an extensive use of visual attention in order to select the most relevant information and speed-up the vision process. Inspired by visual attention, several computer models have been developed and many computer vision applications rely today on such models. However, the actual algorithms are not suitable to omnidirectional images, which contain a significant amount of geometrical distortion. In this paper, we present a novel computational approach that performs in spherical geometry and thus is suitable for omnidirectional images. Following one of the actual models of visual attention, the spherical saliency map is obtained by fusing together intensity, chromatic, and orientation spherical cue conspicuity maps that are themselves obtained through multiscale analysis on the sphere. Finally, the consecutive maxima in the spherical saliency map represent the spots of attention on the sphere. In the experimental part, the proposed method is then compared to the standard one using a synthetic image. Also, we provide examples of spots detection in real omnidirectional scenes which show its advantages. Finally, an experiment illustrates the homogeneity of the detected visual attention in omnidirectional images. PMID:18854253

  13. Sphere Drag and Heat Transfer

    NASA Astrophysics Data System (ADS)

    Duan, Zhipeng; He, Boshu; Duan, Yuanyuan

    2015-07-01

    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.

  14. 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

  15. 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.

  16. Mesoporous carbon spheres with controlled porosity for high-performance lithium-sulfur batteries

    NASA Astrophysics Data System (ADS)

    Wang, Dexian; Fu, Aiping; Li, Hongliang; Wang, Yiqian; Guo, Peizhi; Liu, Jingquan; Zhao, Xiu Song

    2015-07-01

    Mesoporous carbon (MC) spheres with hierarchical pores, controlled pore volume and high specific surface areas have been prepared by a mass-producible spray drying assisted template method using sodium alginate as carbon precursor and commercial colloidal silica particles as hard template. The resulting MC spheres, possessing hierarchical pores in the range of 3-30 nm, are employed as conductive matrices for the preparation of cathode materials for lithium-sulfur batteries. A high pressure induced one-step impregnation of elemental sulfur into the pore of the MC spheres has been exploited. The electrochemical performances of sulfur-impregnated MC spheres (S-MC) derived from MC spheres with different pore volume and specific surface area but with the same sulfur loading ratio of 60 wt% (S-MC-X-60) have been investigated in details. The S-MC-4-60 composite cathode material displayed a high initial discharge capacity of 1388 mAhg-1 and a good cycling stability of 857 mAhg-1 after 100 cycles at 0.2C, and shows also excellent rate capability of 864 mAhg-1 at 2C. More importantly, the sulfur loading content in MC-4 spheres can reach as high as 80%, and it still can deliver a capacity of 569 mAhg-1 after 100 cycles at 0.2C.

  17. A unified description of the rheology of hard particles

    NASA Astrophysics Data System (ADS)

    Hermes, Michiel; Guy, Ben; Poon, Wilson

    The rheology of suspensions of Brownian, or colloidal, particles (diameter d <~ 1 μ m) differs markedly from that of larger grains (d >~ 50 μ m). Each of these two regimes has been separately studied, but the flow of suspensions with intermediate particle sizes (1 μm <~ d <~ 50 μ m), which occur ubiquitously in applications, remains poorly understood. By measuring the rheology of suspensions of hard spheres with a wide range of sizes, we show experimentally that shear thickening drives the transition from colloidal to granular flow across the intermediate size regime. This insight makes possible a unified description of the (non-inertial) rheology of hard spheres over the full size spectrum. Moreover, we are able to test a new theory of friction-induced shear thickening, showing that our data can be well fitted using expressions derived from it.

  18. 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.

  19. 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.

  20. Impingement of Water Droplets on a Sphere

    NASA Technical Reports Server (NTRS)

    Dorsch, Robert G.; Saper, Paul G.; Kadow, Charles F.

    1955-01-01

    Droplet trajectories about a sphere in ideal fluid flow were calculated. From the calculated droplet trajectories the droplet impingement characteristics of the sphere were determined. Impingement data and equations for determining the collection efficiency, the area, and the distribution of impingement are presented in terms of dimensionless parameters. The range of flight and atmospheric conditions covered in the calculations was extended considerably beyond the range covered by previously reported calculations for the sphere.

  1. Polarization effects on hard target calibration of lidar systems

    NASA Technical Reports Server (NTRS)

    Kavaya, Michael J.

    1987-01-01

    The theory of hard target calibration of lidar backscatter data, including laboratory measurements of the pertinent target reflectance parameters, is extended to include the effects of polarization of the transmitted and received laser radiation. The bidirectional reflectance-distribution function model of reflectance is expanded to a 4 x 4 matrix allowing Mueller matrix and Stokes vector calculus to be employed. Target reflectance parameters for calibration of lidar backscatter data are derived for various lidar system polarization configurations from integrating sphere and monostatic reflectometer measurements. It is found that correct modeling of polarization effects is mandatory for accurate calibration of hard target reflectance parameters and, therefore, for accurate calibration of lidar backscatter data.

  2. Photonic crystals from multiply-coated spheres

    NASA Astrophysics Data System (ADS)

    Chan, Che Ting

    2000-03-01

    We show theoretically and experimentally that photonic band gaps can be realized using metal or metal-coated spheres as building blocks. Robust photonic gaps exist in any periodic structure built from such spheres when the filling ratio of the spheres exceeds a threshold, and they are not sensitive to the symmetry or the global long range order, with stacking faults cause almost no degradation. Good agreement between theory and experiment is obtained in the microwave regime. The gaps persist even in a random packing of such spheres. Calculations show that the approach can be scaled up to IR and optical frequencies.

  3. 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...

  4. Unexpected ricochet of spheres off water

    NASA Astrophysics Data System (ADS)

    Shlien, D. J.

    1994-08-01

    A sphere was observed to apparently ricochet off the free surface of water at incident angles as large as 45° while the expected (empirical/analytical) maximum angle to the horizontal for ricochet was 6°. Closer examination of the process revealed that the cavitating sphere penetrated the liquid to depths as great as 35 sphere diameters. Under certain circumstances the sphere was also observed to leave the liquid in a direction close to the incoming direction; that is, the sphere ricocheted backwards! This peculiar behavior was found to be a result of an unintentional spin applied to the sphere upon launching. By crudely modelling the process, the sphere path is qualitatively predicted. It was found that the drag and lift coefficients required to model the trajectory data were several times smaller than those obtained for the non-cavitating case or for the non-spinning case. If more precise sphere trajectory data were available, this experiment could be used to measure the lift and drag coefficients of a spinning and cavitating sphere.

  5. 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.

  6. 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.

  7. Preparation of thorium-uranium gel spheres

    SciTech Connect

    Spence, R.D.; Haas, P.A.

    1980-01-01

    Ceramic oxide spheres with diameters of 15 to 1500 ..mu..m are being evaluated for fabrication of power reactor fuel rods. (Th,U)O/sub 2/ spheres can be prepared by internal or external chemical gelation of nitrate solutions or oxide sols. Two established external gelation techniques were tested but proved to be unsatisfactory for the intended application. Established internal gelation techniques for UO/sub 2/ spheres were applied with minor modifications to make 75% ThO/sub 2/-25% UO/sub 2/ spheres that sinter to diameters of 200 to 1400 ..mu..m (99% T.D.).

  8. Hollow Spheres in Composite Materials and Metallic Hollow Sphere Composites (MHSC)

    NASA Astrophysics Data System (ADS)

    Baumeister, Erika; Molitor, Martin

    The newly developed metallic hollow spheres are used in combination with a polymeric matrix for producing metallic hollow-sphere-composites (MSHC), which have been developed for mechanical engineering applications in the “InnoZellMet” project.

  9. Electromagnetic fields of a nonprecessing and precessing, spinning, permanent magnet, conducting sphere

    NASA Astrophysics Data System (ADS)

    Mueller, R. S.

    1991-02-01

    The electromagnetic fields inside and outside a steadily rotating, magnetized, conducting sphere are determined for the cases of nonprecession and precession. In both cases the spin rotational axis is aligned with the magnetic axis of the sphere. The field expressions are those measured in the laboratory reference frame. For a nonprecessing sphere the magnetic fields are identical to the fields of a stationary sphere, but in addition there is an induced induction of order v-squared/c-squared whose lines of force radiate in loops above and below the equator. The electric and magnetic induction field expressions were derived into static and dynamic parts. The amplitudes of these parts were plotted as functions of the angle of inclination of the polar axis. The dynamic parts are circularly and elliptically polarized. The pivot point of the precessing sphere was chosen off center. The only two stable positions are at theta = 0 deg and 180 deg for a center pivot.

  10. Scaling, dimensional analysis, and hardness measurements

    NASA Astrophysics Data System (ADS)

    Cheng, Yang-Tse; Cheng, Che-Min; Li, Zhiyong

    2000-03-01

    Hardness is one of the frequently used concepts in tribology. For nearly one hundred years, indentation experiments have been performed to obtain the hardness of materials. Recent years have seen significant improvements in indentation equipment and a growing need to measure the mechanical properties of materials on small scales. However, questions remain, including what properties can be measured using instrumented indention techniques and what is hardness? We discuss these basic questions using dimensional analysis together with finite element calculations. We derive scaling relationships for loading and unloading curve, initial unloading slope, contact depth, and hardness. Hardness is shown to depend on elastic, as well as plastic properties of materials. The conditions for "piling-up" and "sinking-in" of surface profiles in indentation are obtained. The methods for estimating contact area are examined. The work done during indentation is also studied. A relationship between hardness, elastic modulus, and the work of indentation is revealed. This relationship offers a new method for obtaining hardness and elastic modulus. In addition, we demonstrate that stress-strain relationships may not be uniquely determined from loading/unloading curves alone using a conical or pyramidal indenter. The dependence of hardness on indenter geometry is also studied. Finally, a scaling theory for indentation in power-law creep solids using self-similar indenters is developed. A connection between creep and "indentation size effect" is established.

  11. Tandem spheres in hypersonic flow

    SciTech Connect

    Laurence, Stuart J; Deiterding, Ralf; Hornung, Hans G

    2009-01-01

    The problem of determining the forces acting on a secondary body when it is travelling at some point within the shocked region created by a hypersonic primary body is of interest in such situations as store or stage separation, re-entry of multiple vehicles, and atmospheric meteoroid fragmentation. The current work is concerned with a special case of this problem, namely that in which both bodies are spheres and are stationary with respect to one another. We first present an approximate analytical model of the problem; subsequently, numerical simulations are described and results are compared with those from the analytical model. Finally, results are presented from a series of experiments in the T5 hypervelocity shock tunnel in which a newly-developed force-measurement technique was employed.

  12. Secondary Sphere Formation Enhances the Functionality of Cardiac Progenitor Cells

    PubMed Central

    Cho, Hyun-Jai; Lee, Ho-Jae; Youn, Seock-Won; Koh, Seok-Jin; Won, Joo-Yun; Chung, Yeon-Ju; Cho, Hyun-Ju; Yoon, Chang-Hwan; Lee, Sae-Won; Lee, Eun Ju; Kwon, Yoo-Wook; Lee, Hae-Young; Lee, Sang Hun; Ho, Won-Kyung; Park, Young-Bae; Kim, Hyo-Soo

    2012-01-01

    Loss of cardiomyocytes impairs cardiac function after myocardial infarction (MI). Recent studies suggest that cardiac stem/progenitor cells could repair the damaged heart. However, cardiac progenitor cells are difficult to maintain in terms of purity and multipotency when propagated in two-dimensional culture systems. Here, we investigated a new strategy that enhances potency and enriches progenitor cells. We applied the repeated sphere formation strategy (cardiac explant → primary cardiosphere (CS) formation → sphere-derived cells (SDCs) in adherent culture condition → secondary CS formation by three-dimensional culture). Cells in secondary CS showed higher differentiation potentials than SDCs. When transplanted into the infarcted myocardium, secondary CSs engrafted robustly, improved left ventricular (LV) dysfunction, and reduced infarct sizes more than SDCs did. In addition to the cardiovascular differentiation of transplanted secondary CSs, robust vascular endothelial growth factor (VEGF) synthesis and secretion enhanced neovascularization in the infarcted myocardium. Microarray pathway analysis and blocking experiments using E-selectin knock-out hearts, specific chemicals, and small interfering RNAs (siRNAs) for each pathway revealed that E-selectin was indispensable to sphere initiation and ERK/Sp1/VEGF autoparacrine loop was responsible for sphere maturation. These results provide a simple strategy for enhancing cellular potency for cardiac repair. Furthermore, this strategy may be implemented to other types of stem/progenitor cell-based therapy. PMID:22713697

  13. Dyadic Green's function of an eccentrically stratified sphere.

    PubMed

    Moneda, Angela P; Chrissoulidis, Dimitrios P

    2014-03-01

    The electric dyadic Green's function (dGf) of an eccentrically stratified sphere is built by use of the superposition principle, dyadic algebra, and the addition theorem of vector spherical harmonics. The end result of the analytical formulation is a set of linear equations for the unknown vector wave amplitudes of the dGf. The unknowns are calculated by truncation of the infinite sums and matrix inversion. The theory is exact, as no simplifying assumptions are required in any one of the analytical steps leading to the dGf, and it is general in the sense that any number, position, size, and electrical properties can be considered for the layers of the sphere. The point source can be placed outside of or in any lossless part of the sphere. Energy conservation, reciprocity, and other checks verify that the dGf is correct. A numerical application is made to a stratified sphere made of gold and glass, which operates as a lens. PMID:24690648

  14. Organizing Your Hard Disk.

    ERIC Educational Resources Information Center

    Stocker, H. Robert; Hilton, Thomas S. E.

    1991-01-01

    Suggests strategies that make hard disk organization easy and efficient, such as making, changing, and removing directories; grouping files by subject; naming files effectively; backing up efficiently; and using PATH. (JOW)

  15. Electric dipoles on the Bloch sphere

    NASA Astrophysics Data System (ADS)

    Vutha, Amar C.

    2015-03-01

    The time evolution of a two-level quantum mechanical system can be geometrically described using the Bloch sphere. By mapping the Bloch sphere evolution onto the dynamics of oscillating electric dipoles, we provide a physically intuitive link between classical electromagnetism and the electric dipole transitions of atomic and molecular physics.

  16. The Circle and Sphere as Great Equalizers.

    ERIC Educational Resources Information Center

    Schwartzman, Steven

    1991-01-01

    From the equality of the ratios of the surface areas and volumes of a sphere and its circumscribed cylinder, the exploration of theorems relating the ratios of surface areas and volumes of a sphere and other circumscribed solids in three dimensions, and analogous questions relating two-dimensional concepts of perimeter and area is recounted. (MDH)

  17. 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…

  18. Hard Constraints in Optimization Under Uncertainty

    NASA Technical Reports Server (NTRS)

    Crespo, Luis G.; Giesy, Daniel P.; Kenny, Sean P.

    2008-01-01

    This paper proposes a methodology for the analysis and design of systems subject to parametric uncertainty where design requirements are specified via hard inequality constraints. Hard constraints are those that must be satisfied for all parameter realizations within a given uncertainty model. Uncertainty models given by norm-bounded perturbations from a nominal parameter value, i.e., hyper-spheres, and by sets of independently bounded uncertain variables, i.e., hyper-rectangles, are the focus of this paper. These models, which are also quite practical, allow for a rigorous mathematical treatment within the proposed framework. Hard constraint feasibility is determined by sizing the largest uncertainty set for which the design requirements are satisfied. Analytically verifiable assessments of robustness are attained by comparing this set with the actual uncertainty model. Strategies that enable the comparison of the robustness characteristics of competing design alternatives, the description and approximation of the robust design space, and the systematic search for designs with improved robustness are also proposed. Since the problem formulation is generic and the tools derived only require standard optimization algorithms for their implementation, this methodology is applicable to a broad range of engineering problems.

  19. How 'hard' are hard-rock deformations?

    NASA Astrophysics Data System (ADS)

    van Loon, A. J.

    2003-04-01

    The study of soft-rock deformations has received increasing attention during the past two decades, and much progress has been made in the understanding of their genesis. It is also recognized now that soft-rock deformations—which show a wide variety in size and shape—occur frequently in sediments deposited in almost all types of environments. In spite of this, deformations occurring in lithified rocks are still relatively rarely attributed to sedimentary or early-diagenetic processes. Particularly faults in hard rocks are still commonly ascribed to tectonics, commonly without a discussion about a possible non-tectonic origin at a stage that the sediments were still unlithified. Misinterpretations of both the sedimentary and the structural history of hard-rock successions may result from the negligence of a possible soft-sediment origin of specific deformations. It is therefore suggested that a re-evaluation of these histories, keeping the present-day knowledge about soft-sediment deformations in mind, may give new insights into the geological history of numerous sedimentary successions in which the deformations have not been studied from both a sedimentological and a structural point of view.

  20. Pool film boiling from rotating and stationary spheres in liquid nitrogen. [for SSME turbopump ball bearings

    NASA Technical Reports Server (NTRS)

    Cuan, Winston M.; Schwartz, Sidney H.

    1988-01-01

    Results are presented for a preliminary experiment involving a saturated pool boiling at 1 atm from rotating 2 and 3 inch diameter spheres which were immersed in LN2. Additional results are presented for a stationary 2 inch diameter sphere quenched in LN2, which were obtained with a more versatile and complete experimental apparatus. The speed of the rotational tests varied from 0 to 10,000 rpm. The stationary experiments parametrically varied pressure and subcooling levels from 0 to 600 psig and from 0 to 50 F, respectively. During the rotational tests, a high speed photographic analysis was undertaken to measure the thickness of the vapor film surrounding the sphere.

  1. Stochastic Interactions of Two Brownian Spheres in the Presence of Depletants

    NASA Astrophysics Data System (ADS)

    Karzar-Jeddi, Mehdi; Tuinier, Remco; Taniguchi, Takashi; Fan, Tai-Hsi

    2014-03-01

    The pair interactions between hard spheres play an essential role in many processes such as macromolecular crowding, binding, self-assembly of particles, and many chemical and food processes. Here we focus on theoretical analysis of the long-time correlated stochastic motion of two hard spheres in a non-adsorbing polymer solution. The hard spheres are held by hypothetical optical traps. The pair mobility tenser is found using a two-layer approximation with pure solvent in the depletion zone surrounding the particle and uniform polymer solution elsewhere. The resulting mobility computed by the boundary integral analysis is used to define the level of thermal fluctuation. Results show how the mobility and the decay of displacement correlation functions modified by the polymer depletion effect. The attractive osmotic potential increases the auto-correlation of the pair particle motion, while reduces the cross-correlation of the particles. This work gives better understanding of the pair interactions in a suspension of non-adsorbing polymers as an essential step toward many-particle interactions.

  2. pvsR: An Open Source Interface to Big Data on the American Political Sphere

    PubMed Central

    2015-01-01

    Digital data from the political sphere is abundant, omnipresent, and more and more directly accessible through the Internet. Project Vote Smart (PVS) is a prominent example of this big public data and covers various aspects of U.S. politics in astonishing detail. Despite the vast potential of PVS’ data for political science, economics, and sociology, it is hardly used in empirical research. The systematic compilation of semi-structured data can be complicated and time consuming as the data format is not designed for conventional scientific research. This paper presents a new tool that makes the data easily accessible to a broad scientific community. We provide the software called pvsR as an add-on to the R programming environment for statistical computing. This open source interface (OSI) serves as a direct link between a statistical analysis and the large PVS database. The free and open code is expected to substantially reduce the cost of research with PVS’ new big public data in a vast variety of possible applications. We discuss its advantages vis-à-vis traditional methods of data generation as well as already existing interfaces. The validity of the library is documented based on an illustration involving female representation in local politics. In addition, pvsR facilitates the replication of research with PVS data at low costs, including the pre-processing of data. Similar OSIs are recommended for other big public databases. PMID:26132154

  3. pvsR: An Open Source Interface to Big Data on the American Political Sphere.

    PubMed

    Matter, Ulrich; Stutzer, Alois

    2015-01-01

    Digital data from the political sphere is abundant, omnipresent, and more and more directly accessible through the Internet. Project Vote Smart (PVS) is a prominent example of this big public data and covers various aspects of U.S. politics in astonishing detail. Despite the vast potential of PVS' data for political science, economics, and sociology, it is hardly used in empirical research. The systematic compilation of semi-structured data can be complicated and time consuming as the data format is not designed for conventional scientific research. This paper presents a new tool that makes the data easily accessible to a broad scientific community. We provide the software called pvsR as an add-on to the R programming environment for statistical computing. This open source interface (OSI) serves as a direct link between a statistical analysis and the large PVS database. The free and open code is expected to substantially reduce the cost of research with PVS' new big public data in a vast variety of possible applications. We discuss its advantages vis-à-vis traditional methods of data generation as well as already existing interfaces. The validity of the library is documented based on an illustration involving female representation in local politics. In addition, pvsR facilitates the replication of research with PVS data at low costs, including the pre-processing of data. Similar OSIs are recommended for other big public databases. PMID:26132154

  4. Shape transitions in soft spheres regulated by elasticity

    NASA Astrophysics Data System (ADS)

    Fogle, Craig; Rowat, Amy; Levine, Alex; Rudnick, Joseph

    2014-03-01

    Soft core shell structures abound in nature. Examples of these structures, comprised of a thin outer membrane bounding an elastic core, include raisins, gel-filled vesicles, and a variety of membrane-bound organelles in the cell. We study the elasticity-driven morphological transitions of spherical core shell structures when either their surface area is increased or their interior volume is decreased. We demonstrate a transition, which is related to the Euler buckling, from the spherical initial shape to a lower symmetry one. We discuss the dependence of the critical excess surface area (relative to that of a bounding sphere) for buckling, the internal stresses in the core, and the symmetry of the buckled state on the elastic parameters of the system. We compare these predictions to a variety of observed morphological transitions in hard and soft materials, and discuss extensions of this work to growing viscoelastic media.

  5. Impact into Coarse Grained Spheres

    NASA Technical Reports Server (NTRS)

    Barnouin-Jha, O. S.; Cintala, M.; Crawford, D. A.

    2005-01-01

    Several experimental studies [1,2,3] indicate that differences in the grain size of the target relative to the projectile could influence the cratering process. Impacts into coarse sand grains of size comparable to the projectile show some discrepancies with existing relationships for crater growth [e.g. 4]. Similarly, targets of ne grained, uniform in diameter glass spheres show differences in crater depth, transient crater diameter, and volume of ejecta excavated as a function of grain size [2,3]. The purpose of this work is to continue investigating how the relative grain size may influence early time coupling between a projectile and target, with implications for subsequent ejecta excavation and crater growth. In previous efforts we used numerical techniques to focus on the propagation of shock waves in coarse, granular media emphasizing the influence of relative grain size on crater growth, ejecta production, cratering efficiency, target strength, and crater shape [5,6,7]. In this study, we use experimental techniques - in part as a reality check for the numerical studies - to report on how coarse grained targets might influence ejecta excavation and crater shape. This body of work possesses important implications for ejecta excavation and cratering efficiency on asteroids that may possess rubble pile-like structures, and on planets that may possess either pre-fractured surfaces or large-scale heterogeneities in shock impedance.

  6. 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.

  7. Induced differentiation inhibits sphere formation in neuroblastoma.

    PubMed

    Craig, Brian T; Rellinger, Eric J; Alvarez, Alexandra L; Dusek, Haley L; Qiao, Jingbo; Chung, Dai H

    2016-08-19

    Neuroblastoma arises from the neural crest, the precursor cells of the sympathoadrenal axis, and differentiation status is a key prognostic factor used for clinical risk group stratification and treatment strategies. Neuroblastoma tumor-initiating cells have been successfully isolated from patient tumor samples and bone marrow using sphere culture, which is well established to promote growth of neural crest stem cells. However, accurate quantification of sphere-forming frequency of commonly used neuroblastoma cell lines has not been reported. Here, we show that MYCN-amplified neuroblastoma cell lines form spheres more frequently than non-MYCN-amplified cell lines. We also show that sphere formation is directly sensitive to cellular differentiation status. 13-cis-retinoic acid is a clinically used differentiating agent that induces a neuronal phenotype in neuroblastoma cells. Induced differentiation nearly completely blocked sphere formation. Furthermore, sphere formation was specifically FGF-responsive and did not respond to increasing doses of EGF. Taken together, these data suggest that sphere formation is an accurate method of quantifying the stemness phenotype in neuroblastoma. PMID:27297102

  8. Flow around spheres by dissipative particle dynamics

    NASA Astrophysics Data System (ADS)

    Chen, Shuo; Phan-Thien, Nhan; Khoo, Boo Cheong; Fan, Xi Jun

    2006-10-01

    The dissipative particle dynamics (DPD) method is used to study the flow behavior past a sphere. The sphere is represented by frozen DPD particles while the surrounding fluids are modeled by simple DPD particles (representing a Newtonian fluid). For the surface of the sphere, the conventional model without special treatment and the model with specular reflection boundary condition proposed by Revenga et al. [Comput. Phys. Commun. 121-122, 309 (1999)] are compared. Various computational domains, in which the sphere is held stationary at the center, are investigated to gage the effects of periodic conditions and walls for Reynolds number (Re)=0.5 and 50. Two types of flow conditions, uniform flow and shear flow are considered, respectively, to study the drag force and torque acting on the stationary sphere. It is found that the calculated drag force imposed on the sphere based on the model with specular reflection is slightly lower than the conventional model without special treatment. With the conventional model the drag force acting on the sphere is in better agreement with experimental correlation obtained by Brown and Lawler [J. Environ. Eng. 129, 222 (2003)] for the case of larger radius up to Re of about 5. The computed torque also approaches the analytical Stokes value when Re <1. For a force-free and torque-free sphere, its motion in the flow is captured by solving the translational and rotational equations of motion. The effects of different DPD parameters (a, γ, and σ) on the drag force and torque are studied. It shows that the dissipative coefficient (γ) mainly affects the drag force and torque, while random and conservative coefficient have little influence on them. Furthermore the settling of a single sphere in square tube is investigated, in which the wall effect is considered. Good agreement is found with the experiments of Miyamura et al. [Int. J. Multiphase Flow 7, 31 (1981)] and lattice-Boltzmann simulation results of Aidun et al. [J. Fluid Mech

  9. Numerical Simulations of Falling Sphere Viscometry Experiments.

    NASA Astrophysics Data System (ADS)

    O Dwyer, L.; Kellogg, L. H.; Lesher, C. E.

    2007-12-01

    The falling sphere technique based on Stokes' law is widely used to determine the viscosities of geologically relevant melts at high pressures. Stokes' law is valid when a rigid sphere falls slowly and steadily through a stationary and infinite Newtonian medium of uniform properties. High-pressure falling sphere experiments however, usually involve dropping a dense, refractory sphere through a liquid contained by a cylindrical capsule of finite size. The sphere velocity is influenced by the walls (Faxen correction) and ends of the capsule, and possible convective motion of the fluid. Efforts are made to minimize thermal gradients in laboratory experiments, but small temperature differences within the capsule can lead to convection complicating interpretation. We utilize GALE (Moresi et al., 2003;), a finite element particle-in-cell code, to examine these factors in numerical models of conditions similar to those of high-pressure experiments. Our modeling considers a three- dimensional box or cylinder containing a cluster of particles that represent the dense sphere in laboratory experiments surrounded by low viscosity particles representing the melt. GALE includes buoyancy forces, heat flow, and viscosity variations so our model can be used to assess the effects of the capsule's walls and ends, and the consequences of thermal gradients on the sphere's velocity and trajectory. Comparisons between our numerical simulations and real-time falling sphere experiments involving lower viscosity molten komatiite are made to assess the validity of Stokes' law with the standard Faxen correction included, and formulations considering end effects. The modeling also permits an evaluation of the uncertainties in recovering accurate liquid viscosities from Stokes' law when a dense sphere falls through a convecting low viscosity melt. It also allows us to assess acceleration to a terminal velocity that can provide constraints on melt viscosity in experiments in which the terminal

  10. Hard tissue laser procedures.

    PubMed

    Gimbel, C B

    2000-10-01

    A more conservative, less invasive treatment of the carious lesion has intrigued researchers and clinicians for decades. With over 170 million restorations placed worldwide each year, many of which could be treated using a laser, there exists an increasing need for understanding hard tissue laser procedures. An historical review of past scientific and clinical hard research, biophysics, and histology are discussed. A complete review of present applications and procedures along with their capabilities and limitations will give the clinician a better understanding. Clinical case studies, along with guidelines for tooth preparation and hard tissue laser applications and technological advances for diagnosis and treatment will give the clinician a look into the future. PMID:11048281

  11. Integrating Sphere Alkali-Metal Vapor Cells

    NASA Astrophysics Data System (ADS)

    McGuyer, Bart; Ben-Kish, Amit; Jau, Yuan-Yu; Happer, William

    2010-03-01

    An integrating sphere is an optical multi-pass cavity that uses diffuse reflection to increase the optical path length. Typically applied in photometry and radiometry, integrating spheres have previously been used to detect trace gases and to cool and trap alkali-metal atoms. Here, we investigate the potential for integrating spheres to enhance optical absorption in optically thin alkali-metal vapor cells. In particular, we consider the importance of dielectric effects due to a glass container for the alkali-metal vapor. Potential applications include miniature atomic clocks and magnetometers, where multi-passing could reduce the operating temperature and power consumption.

  12. 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.

  13. 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.

  14. Soft core thermodynamics from self-consistent hard core fluids.

    PubMed

    Schöll-Paschinger, Elisabeth; Reiner, Albert

    2006-10-28

    In an effort to generalize the self-consistent Ornstein-Zernike approximation (SCOZA)-an accurate liquid state theory that has been restricted so far to hard core systems-to arbitrary soft core systems we study a combination of SCOZA with a recently developed perturbation theory. The latter was constructed by Ben-Amotz and Stell [J. Phys. Chem. B 108, 6877 (2004)] as a reformulation of the Weeks-Chandler-Andersen [J. Chem. Phys. 54, 5237 (1971)] perturbation theory directly in terms of an arbitrary hard sphere reference system. We investigate the accuracy of the combined approach for the Lennard-Jones fluid in comparison with simulation data and pure perturbation theory predictions and determine the dependence of the thermodynamic properties and the phase behavior on the choice of the effective hard core diameter of the reference system. PMID:17092101

  15. Monodisperse PEGylated Spheres: An Aqueous Colloidal Model System

    PubMed Central

    2014-01-01

    Fluorinated core–shell spheres have been synthesized using a novel semibatch emulsion polymerization protocol employing slow feeding of the initiator. The synthesis results in aqueous dispersions of highly monodisperse spheres bearing a well-defined poly(ethylene glycol) graft (PEGylation). Measurements are consistent with the synthesis achieving a high grafting density that moreover consists of a single PEG layer with the polymer significantly elongated beyond its radius of gyration in bulk. The fluorination of the core of the particles confers a low index of refraction such that the particles can be refractive index matched in water through addition of relatively small amounts of a cosolvent, which enables the use of optical and laser-based methods for studies of concentrated systems. The systems exhibit an extreme stability in NaCl solutions, but attractions among particles can be introduced by addition of other salts, in which case aggregation is shown to be reversible. The PEGylated sphere dispersions are expected to be ideally suited as model systems for studies of the effect of PEG-mediated interactions on, for instance, structure, dynamics, phase behavior, and rheology. PMID:24533774

  16. Monodisperse PEGylated spheres: an aqueous colloidal model system.

    PubMed

    Ulama, Jeanette; Zackrisson Oskolkova, Malin; Bergenholtz, Johan

    2014-03-01

    Fluorinated core-shell spheres have been synthesized using a novel semibatch emulsion polymerization protocol employing slow feeding of the initiator. The synthesis results in aqueous dispersions of highly monodisperse spheres bearing a well-defined poly(ethylene glycol) graft (PEGylation). Measurements are consistent with the synthesis achieving a high grafting density that moreover consists of a single PEG layer with the polymer significantly elongated beyond its radius of gyration in bulk. The fluorination of the core of the particles confers a low index of refraction such that the particles can be refractive index matched in water through addition of relatively small amounts of a cosolvent, which enables the use of optical and laser-based methods for studies of concentrated systems. The systems exhibit an extreme stability in NaCl solutions, but attractions among particles can be introduced by addition of other salts, in which case aggregation is shown to be reversible. The PEGylated sphere dispersions are expected to be ideally suited as model systems for studies of the effect of PEG-mediated interactions on, for instance, structure, dynamics, phase behavior, and rheology. PMID:24533774

  17. A semiempirical approach to a viscously damped oscillating sphere

    NASA Astrophysics Data System (ADS)

    Alexander, P.; Indelicato, E.

    2005-01-01

    A simple model of damped harmonic motion is usually presented in undergraduate physics textbooks and straightforwardly applied for a variety of well-known experiments in student laboratories. Results for the decaying vertical oscillation of a sphere attached to the lower end of a spring in containers with different liquids are analysed here under this standard framework. Some important mismatches between observation and theory are found, which are attributed to oversimplifications in the formulation of the drag force. A more elaborate expression for the latter within a semiempirical approach is then introduced and a more appropriate description of the measurements is shown to be attained. Two coefficients account for experimental corrections, which under certain conditions permit in addition the calculation of specific fluid quantities associated with the oscillating sphere. Rough relations between viscosity and damping factor under appropriate limits are derived. The laboratory experience may also be used to introduce the concept of a semiempirical model and exhibit its utility in physics.

  18. 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

  19. PIV measurements of the interaction between a surface wave and a moving sphere

    NASA Astrophysics Data System (ADS)

    Rydalch, Andrew; Maxeiner, Eric; Savelyev, Ivan

    2012-11-01

    The objective of this experiment was to study the interaction between the wake of a moving sphere and a surface wave moving in the same direction. The tests were conducted in an 8.5 × 2.8 m freshwater tank in 30cm of water. An underwater tow track, consisting of a belt-driven carriage riding on aluminum rails mounted on the bottom of the tank, was constructed in order to leave the free surface of the water unperturbed to allow for precise measurements at the air-water interface. In addition to the towing track, the tank also contains a single paddle wave-maker. PIV measurements were taken of the wake as the sphere moved in conjunction with the wave packet. The sphere velocity was constant and the motion was synchronized with the wave maker such that the sphere traveled inside the crest of a wave as it passed through the test area. In order to identify disturbances to the mean flow caused by the wave, the results were compared with measurements of the wake of the same sphere moving through quiescent water, and also of the wave field without the sphere present. In both comparisons, the measurements can be subtracted from the wave/sphere case to characterize the interaction. The results are applicable to motion control systems for vehicles operating in the presence of surface waves.

  20. Brownian dynamics method for simulation of binding kinetics of patterned colloidal spheres with hydrodynamic interactions

    NASA Astrophysics Data System (ADS)

    Liu, Jun; Larson, Ronald G.

    2013-05-01

    We develop a Brownian dynamics simulation method with full hydrodynamic interactions (HI) to study the recognition kinetics between two patterned colloidal spheres. We use a general resistance matrix (12*12) to describe both the far and near-field hydrodynamics of translation, rotation, and translation-rotation coupling between the two spheres, adopted from Jeffrey and Onishi [J. Fluid Mech. 139, 261 (1984), 10.1017/S0022112084000355]. We apply the method to the specific binding of "patchy" spheres, including effects of depletion attraction and orientation-specific binding, as are present in "Janus" spheres whose surfaces contain hydrophobic and hydrophilic faces [Q. Chen, S. C. Bae, and S. Granick, Nature (London) 469, 381 (2011), 10.1038/nature09713]. The binding times obtained between two non-patterned spheres (of equal or unequal diameter) with or without HI extrapolated to infinite dilution are shown to be in good agreement with theoretical predictions of the Smoluchowski equation. In addition, the binding times for pairs of spheres for three cases of surface patterning of the two spheres (uniform-uniform, uniform-Janus, and Janus-Janus) are compared with or without rotational motion.

  1. #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...

  2. 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...

  3. Elastic spheres can walk on water

    NASA Astrophysics Data System (ADS)

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

    2016-02-01

    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.

  4. 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.

  5. Entanglement entropy across a deformed sphere

    NASA Astrophysics Data System (ADS)

    Mezei, Márk

    2015-02-01

    I study the entanglement entropy (EE) across a deformed sphere in conformal field theories (CFTs). I show that the sphere (locally) minimizes the universal term in EE among all shapes. In the work of Allais and Mezei [Phys. Rev. D 91, 046002 (2015)] it was derived that the sphere is a local extremum, by showing that the contribution linear in the deformation parameter is absent. In this paper I demonstrate that the quadratic contribution is positive and is controlled by the coefficient of the stress tensor two-point function, CT. Such a minimization result contextualizes the fruitful relation between the EE of a sphere and the number of degrees of freedom in field theory. I work with CFTs with gravitational duals, where all higher curvature couplings are turned on. These couplings parametrize conformal structures in stress tensor n -point functions; hence I show the result for infinitely many CFT examples.

  6. 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

  7. Elastic spheres can walk on water.

    PubMed

    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

  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. 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.

  10. 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...

  11. 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...

  12. CSI: Hard Drive

    ERIC Educational Resources Information Center

    Sturgeon, Julie

    2008-01-01

    Acting on information from students who reported seeing a classmate looking at inappropriate material on a school computer, school officials used forensics software to plunge the depths of the PC's hard drive, searching for evidence of improper activity. Images were found in a deleted Internet Explorer cache as well as deleted file space.…

  13. Running in Hard Times

    ERIC Educational Resources Information Center

    Berry, John N., III

    2009-01-01

    Roberta Stevens and Kent Oliver are campaigning hard for the presidency of the American Library Association (ALA). Stevens is outreach projects and partnerships officer at the Library of Congress. Oliver is executive director of the Stark County District Library in Canton, Ohio. They have debated, discussed, and posted web sites, Facebook pages,…

  14. Budgeting in Hard Times.

    ERIC Educational Resources Information Center

    Parrino, Frank M.

    2003-01-01

    Interviews with school board members and administrators produced a list of suggestions for balancing a budget in hard times. Among these are changing calendars and schedules to reduce heating and cooling costs; sharing personnel; rescheduling some extracurricular activities; and forming cooperative agreements with other districts. (MLF)

  15. Diffractive hard scattering

    SciTech Connect

    Berger, E.L.; Collins, J.C.; Soper, D.E.; Sterman, G.

    1986-03-01

    I discuss events in high energy hadron collisions that contain a hard scattering, in the sense that very heavy quarks or high P/sub T/ jets are produced, yet are diffractive, in the sense that one of the incident hadrons is scattered with only a small energy loss. 8 refs.

  16. Approximating spheroid inductive responses using spheres

    SciTech Connect

    Smith, J. Torquil; Morrison, H. Frank

    2003-12-12

    The response of high permeability ({mu}{sub r} {ge} 50) conductive spheroids of moderate aspect ratios (0.25 to 4) to excitation by uniform magnetic fields in the axial or transverse directions is approximated by the response of spheres of appropriate diameters, of the same conductivity and permeability, with magnitude rescaled based on the differing volumes, D.C. magnetizations, and high frequency limit responses of the spheres and modeled spheroids.

  17. Hollow sphere ceramic particles for abradable coatings

    SciTech Connect

    Longo, F.N.; Bader, N.F. III; Dorfman, M.R.

    1984-05-22

    A hollow sphere ceramic flame spray powder is disclosed. The desired constituents are first formed into agglomerated particles in a spray drier. Then the agglomerated particles are introduced into a plasma flame which is adjusted so that the particles collected are substantially hollow. The hollow sphere ceramic particles are suitable for flame spraying a porous and abradable coating. The hollow particles may be selected from the group consisting of zirconium oxide and magnesium zirconate.

  18. Liouville Quantum Gravity on the Riemann Sphere

    NASA Astrophysics Data System (ADS)

    David, François; Kupiainen, Antti; Rhodes, Rémi; Vargas, Vincent

    2016-03-01

    In this paper, we rigorously construct Liouville Quantum Field Theory on the Riemann sphere introduced in the 1981 seminal work by Polyakov. We establish some of its fundamental properties like conformal covariance under PSL{_2({C})}-action, Seiberg bounds, KPZ scaling laws, KPZ formula and the Weyl anomaly formula. We also make precise conjectures about the relationship of the theory to scaling limits of random planar maps conformally embedded onto the sphere.

  19. 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.

  20. Vortex dynamics and associated fluid forcing in the near wake of a light and heavy tethered sphere in uniform flow

    NASA Astrophysics Data System (ADS)

    Krakovich, A.; Eshbal, L.; van Hout, R.

    2013-11-01

    Time-resolved particle image velocimetry measurements of vortex-induced vibrations of a negatively ("heavy") and positively ("light") buoyant tethered sphere in uniform flow, and its wake characteristics were performed in a closed-loop water channel. Experiments for both spheres were performed at similar bulk velocities, ranging between 0.048 < U < 0.32 m/s, corresponding to reduced velocities, 2.2 < U * < 13.5. Initially stationary, with increasing U, the amplitude response displayed periodic oscillations beyond the Hopf bifurcation as a result of "lock-in" between vortex shedding and the natural structural frequency. However, while the heavy sphere's amplitude decreased beyond U * = 7.0, the light sphere's amplitude continuously increased. In the periodic oscillation region, flow field characteristics in the wakes of both spheres (at comparable U * ) were similar, characterized by alternately shed hairpin vortices having a horizontal symmetry plane. Primary vortex trajectories in the frame of reference of the sphere collapsed for different U * (but not for different m * ) when scaled by f 2,s/ U, where f 2,s is the sphere's transverse oscillation frequency. This allows determination of vortex positions based on sphere dynamics and bulk flow conditions only. Associated vortex convection velocities as a function of downstream position from the sphere also nearly collapsed when normalized by U. In addition, fluid forcing and energy transfer from fluid to sphere were estimated based on an analogy between aircraft trailing vortices and hairpin vortices. Maximum forcing occurred at vortex pinch-off. For the highest comparable U * , despite different amplitudes, total transferred energy during one oscillation period was similar for both spheres. Changes in sphere dynamics must therefore be related to differences in inertia.

  1. Structure and dynamics of concentrated dispersions of polystyrene latex spheres in glycerol: Static and dynamic x-ray scattering

    NASA Astrophysics Data System (ADS)

    Lumma, D.; Lurio, L. B.; Borthwick, M. A.; Falus, P.; Mochrie, S. G. J.

    2000-12-01

    X-ray photon correlation spectroscopy and small-angle x-ray scattering measurements are applied to characterize the dynamics and structure of concentrated suspensions of charge-stabilized polystyrene latex spheres dispersed in glycerol, for volume fractions between 2.7% and 52%. The static structures of the suspensions show essentially hard-sphere behavior. The short-time dynamics shows good agreement with predictions for the wave-vector-dependent collective diffusion coefficient, which are based on a hard-sphere model [C. W. J. Beenakker and P. Mazur, Physica A 126, 349 (1984)]. However, the intermediate scattering function is found to violate a scaling behavior found previously for a sterically stabilized hard-sphere suspension [P. N. Segre and P. N. Pusey, Phys. Rev. Lett. 77, 771 (1996)]. Our measurements are parametrized in terms of a viscoelastic model for the intermediate scattering function [W. Hess and R. Klein, Adv. Phys. 32, 173 (1983)]. Within this framework, two relaxation modes are predicted to contribute to the decay of the dynamic structure factor, with mode amplitudes depending on both wave vector and volume fraction. Our measurements indicate that, for particle volume fractions smaller than about 0.30, the intermediate scattering function is well described in terms of single-exponential decays, whereas a double-mode structure becomes apparent for more concentrated systems.

  2. Structure and dynamics of concentrated dispersions of polystyrene latex spheres in glycerol: static and dynamic x-ray scattering

    PubMed

    Lumma; Lurio; Borthwick; Falus; Mochrie

    2000-12-01

    X-ray photon correlation spectroscopy and small-angle x-ray scattering measurements are applied to characterize the dynamics and structure of concentrated suspensions of charge-stabilized polystyrene latex spheres dispersed in glycerol, for volume fractions between 2.7% and 52%. The static structures of the suspensions show essentially hard-sphere behavior. The short-time dynamics shows good agreement with predictions for the wave-vector-dependent collective diffusion coefficient, which are based on a hard-sphere model [C. W. J. Beenakker and P. Mazur, Physica A 126, 349 (1984)]. However, the intermediate scattering function is found to violate a scaling behavior found previously for a sterically stabilized hard-sphere suspension [P. N. Segre and P. N. Pusey, Phys. Rev. Lett. 77, 771 (1996)]. Our measurements are parametrized in terms of a viscoelastic model for the intermediate scattering function [W. Hess and R. Klein, Adv. Phys. 32, 173 (1983)]. Within this framework, two relaxation modes are predicted to contribute to the decay of the dynamic structure factor, with mode amplitudes depending on both wave vector and volume fraction. Our measurements indicate that, for particle volume fractions smaller than about 0.30, the intermediate scattering function is well described in terms of single-exponential decays, whereas a double-mode structure becomes apparent for more concentrated systems. PMID:11138124

  3. Potential Health Impacts of Hard Water

    PubMed Central

    Sengupta, Pallav

    2013-01-01

    In the past five decades or so evidence has been accumulating about an environmental factor, which appears to be influencing mortality, in particular, cardiovascular mortality, and this is the hardness of the drinking water. In addition, several epidemiological investigations have demonstrated the relation between risk for cardiovascular disease, growth retardation, reproductive failure, and other health problems and hardness of drinking water or its content of magnesium and calcium. In addition, the acidity of the water influences the reabsorption of calcium and magnesium in the renal tubule. Not only, calcium and magnesium, but other constituents also affect different health aspects. Thus, the present review attempts to explore the health effects of hard water and its constituents. PMID:24049611

  4. VizieR Online Data Catalog: HD61005 SPHERE H and Ks images (Olofsson+, 2016)

    NASA Astrophysics Data System (ADS)

    Olofsson, J.; Samland, M.; Avenhaus, H.; Caceres, C.; Henning, T.; Moor, A.; Milli, J.; Canovas, H.; Quanz, S. P.; Schreiber, M. R.; Augereau, J.-C.; Bayo, A.; Bazzon, A.; Beuzit, J.-L.; Boccaletti, A.; Buenzli, E.; Casassus, S.; Chauvin, G.; Dominik, C.; Desidera, S.; Feldt, M.; Gratton, R.; Janson, M.; Lagrange, A.-M.; Langlois, M.; Lannier, J.; Maire, A.-L.; Mesa, D.; Pinte, C.; Rouan, D.; Salter, G.; Thalmann, C.; Vigan, A.

    2016-05-01

    The fits files contains the reduced ADI and DPI SPHERE observations used to produce Fig. 1 of the paper. Besides the primary card, the files consists of 6 additional ImageHDU. The first and second one contain the SPHERE IRDIS ADI H band observations and the noise map. The third and fourth contain the SPHERE IRDIS ADI Ks band observations and the corresponding noise map. Finally, the fifth and sixth ImageHDU contain the SPHERE IRDIS DPI H band data as well as the noise map. Each ADI image has 1024x1024 pixels, while the DPI images have 1800x1800 pixels. The header of the primary card contains the pixel sizes for each datasets and the wavelengths of the H and K band observations. (2 data files).

  5. Photonic bandgap of inverse opals prepared from core-shell spheres.

    PubMed

    Liu, Bo-Tau; Lin, Ya-Li; Huang, Shao-Xian

    2012-01-01

    In this study, we synthesized monodispersed polystyrene (PS)-silica core-shell spheres with various shell thicknesses for the fabrication of photonic crystals. The shell thickness of the spheres was controlled by various additions of tetraethyl orthosilicate during the shell growth process. The shrinkage ratio of the inverse opal photonic crystals prepared from the core-shell spheres was significantly reduced from 14.7% to within 3%. We suspected that the improvement resulted from the confinement of silica shell to the contraction of PS space during calcination. Due to the shell effect, the inverse opals prepared from the core-shell spheres have higher filling fraction and larger wavelength of stop band maximum. PMID:22894600

  6. Tungstenic acid induced assembly of hierarchical flower-like MoS{sub 2} spheres

    SciTech Connect

    Huang Wanzhen Xu Zhude Liu Run; Ye Xianfu; Zheng Yifan

    2008-10-02

    Hierarchical flower-like MoS{sub 2} spheres with high purity were synthesized by hydrothermal method using WO{sub 3} nanorods or H{sub 2}WO{sub 4} as an additive. The flower-like spheres were about 1 {mu}m in diameter and built up with MoS{sub 2} thin flakes with thickness of several nanometers. Energy disperse X-ray spectrum showed that the spheres were only composed of Mo and S with atomic ratio of 2:1. Powder X-ray diffraction result further indicated that the products were MoS{sub 2}. The reaction mechanism is discussed and suggested that tungstenic acid played an important role on the formation of flower-like MoS{sub 2} spheres.

  7. Experimentally determined characteristics of the degree of polarization of backscattered light from polystyrene sphere suspensions

    NASA Astrophysics Data System (ADS)

    Sun, Ping; Ma, Yongchao; Liu, Wei; Xu, Chengwei; Sun, Xiaochun

    2013-05-01

    The degree of polarization (DOP) can be used to characterize the polarization-maintaining ability of a beam of polarized light propagating through a turbid medium. Experiments on polystyrene (PST) sphere suspensions show that, the linearly polarized light propagating through the PST sphere suspension of Rayleigh scatterers has better polarization-maintaining ability, whereas the circularly polarized light propagating through the PST sphere suspension of Mie scatterers has better polarization-maintaining ability. Moreover, helicity flipping occurs to the circularly polarized light propagating in the extremely weak PST sphere suspensions or on the surface of suspensions. In addition, the DOP is dependent on the wavelength of incident light. The results can be helpful to image in turbid media by use of diffuse backscattered light.

  8. Preparation of hollow titania spheres and their photocatalytic activity under visible light.

    PubMed

    Liu, Chun; Yin, Hengbo; Shi, Liping; Wang, Aili; Feng, Yonghai; Shen, Linqin; Wu, Zhanao; Wu, Gang; Jiang, Tao

    2014-09-01

    Hollow titania spheres with different shell thicknesses were facilely prepared starting from TiCl4 and using ploystyrene methyl acrylic acid latexes as the sacrificial templates. The average diameters of the hollow titania spheres ranging from 294 to 340 nm were tuned by changing the weight ratios of TiO2 to ploystyrene methyl acrylic acid latex from 0.8:1 to 1.4:1. The hollow titania spheres were constructed by the small-sized anatase TiO2 nanoparticles with the average diameter of ca. 18 nm (SEM). In addition to UV light absorption caused by the primary anatase TiO2 nanoparticles, the hollow titania spheres also had visible light absorption performance. Photocatalytic results showed that all the hollow titania spheres had higher photocatalytic activity for the degradation of phenol under visible light irradiation than the commercial TiO2 nanoparticles (P25). The photocatalytic activity of the hollow titania spheres increased with the increase in sell thickness, being consistent with their visible light absorbance. The visible light photocatalytic activity was probably due to the presence of additional energy levels between valence and conduction bands, which were caused by the formation of oxygen bridging bonds between the primary TiO2 nanoparticles. PMID:25924373

  9. Stimulus-responsive azobenzene supramolecules: fibers, gels, and hollow spheres.

    PubMed

    Lee, Sumi; Oh, Seungwhan; Lee, Joosub; Malpani, Yashwardhan; Jung, Young-Sik; Kang, Baotao; Lee, Jin Yong; Ozasa, Kazunari; Isoshima, Takashi; Lee, Sang Yun; Hara, Masahiko; Hashizume, Daisuke; Kim, Jong-Man

    2013-05-14

    Novel, stimulus-responsive supramolecular structures in the form of fibers, gels, and spheres, derived from an azobenzene-containing benzenetricarboxamide derivative, are described. Self-assembly of tris(4-((E)-phenyldiazenyl)phenyl)benzene-1,3,5-tricarboxamide (Azo-1) in aqueous organic solvent systems results in solvent dependent generation of microfibers (aq DMSO), gels (aq DMF), and hollow spheres (aq THF). The results of a single crystal X-ray diffraction analysis of Azo-1 (crystallized from a mixture of DMSO and H2O) reveal that it possesses supramolecular columnar packing along the b axis. Data obtained from FTIR analysis and density functional theory (DFT) calculation suggest that multiple hydrogen bonding modes exist in the Azo-1 fibers. UV irradiation of the microfibers, formed in aq DMSO, causes complete melting while regeneration of new fibers occurs upon visible light irradiation. In addition to this photoinduced and reversible phase transition, the Azo-1 supramolecules display a reversible, fiber-to-sphere morphological transition upon exposure to pure DMSO or aq THF. The role played by amide hydrogen bonds in the morphological changes occurring in Azo-1 is demonstrated by the behavior of the analogous, ester-containing tris(4-((E)-phenyldiazenyl)phenyl)benzene-1,3,5-tricarboxylate (Azo-2) and by the hydrogen abstraction in the presence of fluoride anions. PMID:23597134

  10. Hard Times Hit Schools

    ERIC Educational Resources Information Center

    McNeil, Michele

    2008-01-01

    Hard-to-grasp dollar amounts are forcing real cuts in K-12 education at a time when the cost of fueling buses and providing school lunches is increasing and the demands of the federal No Child Left Behind Act still loom larger over states and districts. "One of the real challenges is to continue progress in light of the economy," said Gale Gaines,…

  11. Work Hard. Be Nice

    ERIC Educational Resources Information Center

    Mathews, Jay

    2009-01-01

    In 1994, fresh from a two-year stint with Teach for America, Mike Feinberg and Dave Levin inaugurated the Knowledge Is Power Program (KIPP) in Houston with an enrollment of 49 5th graders. By this Fall, 75 KIPP schools will be up and running, setting children from poor and minority families on a path to college through a combination of hard work,…

  12. 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

  13. 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. PMID:26800454

  14. SUPER HARD SURFACED POLYMERS

    SciTech Connect

    Mansur, Louis K; Bhattacharya, R; Blau, Peter Julian; Clemons, Art; Eberle, Cliff; Evans, H B; Janke, Christopher James; Jolly, Brian C; Lee, E H; Leonard, Keith J; Trejo, Rosa M; Rivard, John D

    2010-01-01

    High energy ion beam surface treatments were applied to a selected group of polymers. Of the six materials in the present study, four were thermoplastics (polycarbonate, polyethylene, polyethylene terephthalate, and polystyrene) and two were thermosets (epoxy and polyimide). The particular epoxy evaluated in this work is one of the resins used in formulating fiber reinforced composites for military helicopter blades. Measures of mechanical properties of the near surface regions were obtained by nanoindentation hardness and pin on disk wear. Attempts were also made to measure erosion resistance by particle impact. All materials were hardness tested. Pristine materials were very soft, having values in the range of approximately 0.1 to 0.5 GPa. Ion beam treatment increased hardness by up to 50 times compared to untreated materials. For reference, all materials were hardened to values higher than those typical of stainless steels. Wear tests were carried out on three of the materials, PET, PI and epoxy. On the ion beam treated epoxy no wear could be detected, whereas the untreated material showed significant wear.

  15. A bibliography of micro-hardness testing

    NASA Astrophysics Data System (ADS)

    Leigh, I. C.

    1981-09-01

    Arranged chronologically by year of publicaton, this bibliography cites about 900 articles and books which appeared between 1937 and 1980. In addition to hardness measurement and test procedures, ductility, machineability, wear resistance, and tensile strength are considered. An author index is provided.

  16. Registration of 'Prevail' hard red spring wheat

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Grower and end-user acceptance of new Hard Red Spring Wheat (HRSW; Triticum aestivum L.) cultivars is largely contingent upon satisfactory agronomic performance, end-use quality potential, and disease resistance levels. Additional characteristics, such as desirable plant height, can also contribute...

  17. Registration of 'Advance' Hard Red Spring Wheat

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Grower and end-user acceptance of new hard red spring wheat (HRSW; Triticum aestivum L.) cultivars is largely contingent on satisfactory agronomic performance, end-use quality potential, and disease resistance levels. Additional characteristics, such as desirable plant height, can also help to maxi...

  18. A thermodynamic self-consistent theory of asymmetric hard-core Yukawa mixtures.

    PubMed

    Pellicane, Giuseppe; Caccamo, Carlo

    2016-10-19

    We perform structural and thermodynamic calculations in the framework of the modified hypernetted chain (MHNC) integral equation closure to the Ornstein-Zernike equation for binary mixtures of size-different particles interacting with hard-core Yukawa pair potentials. We use the Percus-Yevick (PY) bridge functions of a binary mixture of hard-sphere (HSM) particles. The hard-sphere diameters of the PY bridge functions of the HSM system are adjusted so to achieve thermodynamic consistency between the virial and compressibility equations of state. We show the benefit of thermodynamic consistency by comparing the MHNC results with the available computer simulation data reported in the literature, and we demonstrate that the self-consistent thermodynamic theory provides a better reproduction of the simulation data over other microscopic theories. PMID:27545096

  19. Ultrasonic characterization of materials hardness

    PubMed

    Badidi Bouda A; Benchaala; Alem

    2000-03-01

    In this paper, an experimental technique has been developed to measure velocities and attenuation of ultrasonic waves through a steel with a variable hardness. A correlation between ultrasonic measurements and steel hardness was investigated. PMID:10829663

  20. SPHERES flight operations testing and execution

    NASA Astrophysics Data System (ADS)

    Mohan, Swati; Saenz-Otero, Alvar; Nolet, Simon; Miller, David W.; Sell, Steven

    2009-10-01

    Synchronized Position Hold Engage Reorient Experimental Satellites (SPHERES) is a formation flight testing facility consisting of three satellites operating inside the International Space Station (ISS). The goal is to use the long term microgravity environment of the ISS to mature formation flight and docking algorithms. The operations processes of SPHERES have also matured over the course of the first seven test sessions. This paper describes the evolution of the SPHERES program operations processes from conception to implementation to refinement through flight experience. Modifications to the operations processes were based on experience and feedback from Marshall Space Flight Center Payload Operations Center, USAF Space Test Program office at Johnson Space Center, and the crew of Expedition 13 (first to operate SPHERES on station). Important lessons learned were on aspects such as test session frequency, determination of session success, and contingency operations. This paper describes the tests sessions; then it details the lessons learned, the change in processes, and the impact on the outcome of later test sessions. SPHERES had very successful initial test sessions which allowed for modification and tailoring of the operations processes to streamline the code delivery and to tailor responses based on flight experiences.

  1. 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.

  2. Hot electron and x-ray production from intense laser irradiation of wavelength-scale polystyrene spheres

    SciTech Connect

    Sumeruk, H. A.; Kneip, S.; Symes, D. R.; Churina, I. V.; Belolipetski, A. V.; Dyer, G.; Landry, J.; Bansal, G.; Bernstein, A.; Donnelly, T. D.; Karmakar, A.; Pukhov, A.; Ditmire, T.

    2007-06-15

    Hot electron and x-ray production from solid targets coated with polystyrene-spheres which are irradiated with high-contrast, 100 fs, 400 nm light pulses at intensity up to 2x10{sup 17} W/cm{sup 2} have been studied. The peak hard x-ray signal from uncoated fused silica targets is an order of magnitude smaller than the signal from targets coated with submicron sized spheres. The temperature of the x-rays in the case of sphere-coated targets is twice as hot as that of uncoated glass. A sphere-size scan of the x-ray yield and observation of a peak in both the x-ray production and temperature at a sphere diameter of 0.26 {mu}m, indicate that these results are consistent with Mie enhancements of the laser field at the sphere surface and multipass stochastic heating of the hot electrons in the oscillating laser field. These results also match well with particle-in-cell simulations of the interaction.

  3. Effect of sphered particles on the firing contraction of porcelain inlay processed by cold isostatic pressing.

    PubMed

    Konishi, Junko; Watari, Fumio; Kawamoto, Chiharu; Sano, Hidehiko

    2003-08-15

    The effect of the sphered particles on the contraction ratio of porcelain inlay processed by the cold isostatic pressure (CIP) method was investigated. The conventional lathe-cut porcelain powder was crushed to finer particles and the secondary particles with spherical shape by adding binders of acrylic resin, wax, and polyvinyl alcohol, respectively. Porcelain powder was molded as a disc-shaped green body in a refractory model and compressed at 200 MPa by CIP. From this green compact, the sintered porcelain was obtained by only one step of firing. The porcelain discs were then used for the measurements of contraction ratio, scanning microscopic observation, biaxial flexure strength, Vickers hardness, and density. Firing contraction was decreased to about 1% in the sphered particle groups, compared with 7% of the lathe-cut porcelain powder. Although biaxial flexure strength was about 85 MPa, which is lower than the 120 MPa of the control group, and the density was significantly decreased by about 10% from the 2.4 g/cm3 of the control substance, Vickers hardness, which ranged from 531 to 537, showed no significant differences among all of the groups. The CIP method could save labor in the process of making porcelain inlays, and sphered powders could contribute significantly to a decrease in the contraction ratio in the sintering process. PMID:12861607

  4. Hard-pan soils - Management

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Hard pans, hard layers, or compacted horizons, either surface or subsurface, are universal problems that limit crop production. Hard layers can be caused by traffic or soil genetic properties that result in horizons with high density or cemented soil particles; these horizons have elevated penetrati...

  5. Direct observation in 3d of structural crossover in binary hard sphere mixtures

    NASA Astrophysics Data System (ADS)

    Statt, Antonia; Pinchaipat, Rattachai; Turci, Francesco; Evans, Robert; Royall, C. Patrick

    2016-04-01

    For binary fluid mixtures of spherical particles in which the two species are sufficiently different in size, the dominant wavelength of oscillations of the pair correlation functions is predicted to change from roughly the diameter of the large species to that of the small species along a sharp crossover line in the phase diagram [C. Grodon et al., J. Chem. Phys. 121, 7869 (2004)]. Using particle-resolved colloid experiments in 3d we demonstrate that crossover exists and that its location in the phase diagram is in quantitative agreement with the results of both theory and our Monte-Carlo simulations. In contrast with previous work [J. Baumgartl et al., Phys. Rev. Lett. 98, 198303 (2007)], where a correspondence was drawn between crossover and percolation of both species, in our 3d study we find that structural crossover is unrelated to percolation.

  6. Tracer diffusion of hard-sphere binary mixtures under nano-confinement

    NASA Astrophysics Data System (ADS)

    Marini Bettolo Marconi, Umberto; Malgaretti, Paolo; Pagonabarraga, Ignacio

    2015-11-01

    The physics of diffusion phenomena in nano- and microchannels has attracted a lot of attention in recent years, due to its close connection with many technological, medical, and industrial applications. In the present paper, we employ a kinetic approach to investigate how the confinement in nanostructured geometries affects the diffusive properties of fluid mixtures and leads to the appearance of properties different from those of bulk systems. In particular, we derive an expression for the friction tensor in the case of a bulk fluid mixture confined to a narrow slit having undulated walls. The boundary roughness leads to a new mechanism for transverse diffusion and can even lead to an effective diffusion along the channel larger than the one corresponding to a planar channel of equivalent section. Finally, we discuss a reduction of the previous equation to a one dimensional effective diffusion equation in which an entropic term encapsulates the geometrical information on the channel shape.

  7. Periodic and Aperiodic Close Packing: A Spontaneous Hard-Sphere Model.

    ERIC Educational Resources Information Center

    van de Waal, B. W.

    1985-01-01

    Shows how to make close-packed models from balloons and table tennis balls to illustrate structural features of clusters and organometallic cluster-compounds (which are of great interest in the study of chemical reactions). These models provide a very inexpensive and tactile illustration of the organization of matter for concrete operational…

  8. Hypersonic acoustic excitations in binary colloidal crystals: big versus small hard sphere control.

    PubMed

    Tommaseo, G; Petekidis, G; Steffen, W; Fytas, G; Schofield, A B; Stefanou, N

    2007-01-01

    The phononic band structure of two binary colloidal crystals, at hypersonic frequencies, is studied by means of Brillouin light scattering and analyzed in conjunction with corresponding dispersion diagrams of the single colloidal crystals of the constituent particles. Besides the acoustic band of the average medium, the authors' results show the existence of narrow bands originating from resonant multipole modes of the individual particles as well as Bragg-type modes due to the (short-range) periodicity. Strong interaction, leading to the occurrence of hybridization gaps, is observed between the acoustic band and the band of quadrupole modes of the particles that occupy the largest fractional volume of the mixed crystal; the effective radius is either that of the large (in the symmetric NaCl-type crystalline phase) or the small (in the asymmetric NaZn(13)-type crystalline phase) particles. The possibility to reveal a universal behavior of the phononic band structure for different single and binary colloidal crystalline suspensions, by representing in the dispersion diagrams reduced quantities using an appropriate length scale, is discussed. PMID:17212511

  9. Equations of state of freely jointed hard-sphere chain fluids: Numerical results

    SciTech Connect

    Stell, G.; Lin, C.; Kalyuzhnyi, Y.V.

    1999-03-01

    We continue our series of studies in which the equations of state (EOS) are derived based on the product-reactant Ornstein{endash}Zernike approach (PROZA) and first-order thermodynamic perturbation theory (TPT1). These include two compressibility EOS, two virial EOS, and one TPT1 EOS (TPT1-D) that uses the structural information of the dimer fluid as input. In this study, we carry out the numerical implementation for these five EOS and compare their numerical results as well as those obtained from Attard{close_quote}s EOS and GF-D (generalized Flory-dimer) EOS with computer simulation results for the corresponding chain models over a wide range of densities and chain length. The comparison shows that our compressibility EOS, GF-D, and TPT1-D are in quantitative agreement with simulation results, and TPT1-D is the best among various EOS according to its average absolute deviation (AAD). On the basis of a comparison of limited data, our virial EOS appears to be superior to the predictions of Attard{close_quote}s approximate virial EOS and the approximate virial EOS derived by Schweizer and Curro in the context of the PRISM approach; all of them are only qualitatively accurate. The degree of accuracy predicted by our compressibility EOS is comparable to that of GF-D EOS, and both of them overestimate the compressibility factor at low densities and underestimate it at high densities. The compressibility factor of a polydisperse homonuclear chain system is also investigated in this work via our compressibility EOS; the numerical results are identical to those of a monodisperse system with the same chain length. {copyright} {ital 1999 American Institute of Physics.}

  10. Relaxation rates for inverse power law particle interactions and their variable hard sphere surrogates

    NASA Astrophysics Data System (ADS)

    Rubinstein, Robert

    2015-11-01

    It is well known that collision models based on an assumed intermolecular potential (IPL, LJ, ...) can be successfully replaced by simplified surrogates (VHS, VSS, VS, ...) in DSMC calculations. But these surrogates only reproduce certain gross properties of the molecular model, for example, the temperature dependence of the viscosity; they do not approximate, and even mis-state, the details of the particle interactions. The success of the simplified models in problems at finite Knudsen number, where the Navier-Stokes approximation is not valid, may therefore seem surprising. To understand this success in a very special case, we showed that the first seven relaxation rates of the linearized Boltzmann equation for Maxwellian molecules are well approximated by the corresponding relaxation rates of its VHS surrogate. We will show that this analysis can be extended in somewhat less generality to IPL interactions, and to some extent to more realistic models including LJ. We believe that this analysis can help address the more general problem of identifying the properties of the collision model that dominate the predictions of the Boltzmann equation.

  11. Diffuse interface analysis of crystal nucleation in hard-sphere liquid

    NASA Astrophysics Data System (ADS)

    Gránásy, László; Pusztai, Tamás

    2002-12-01

    We show that the increase of the interface free energy with deviation from equilibrium seen in recent Monte Carlo simulations [S. Auer and D. Frenkel, Nature (London) 413, 711 (2001)] can be recovered if the molecular scale diffuseness of the crystal-liquid interface is considered. We compare two models, Gránásy's phenomenological diffuse interface theory, and a density functional theory that relies on the type of Ginzburg-Landau expansion for fcc nucleation, that Shih et al. introduced for bcc crystal. It is shown that, in the range of Monte Carlo simulations, the nucleation rate of the stable fcc phase is by several orders of magnitude higher than for the metastable bcc phase, seen to nucleate first in other fcc systems. The nucleation barrier that the diffuse interface theories predict for small deviations from equilibrium is in far better agreement with the simulations than the classical droplet model. The behavior expected at high densities is model dependent. Gránásy's phenomenological diffuse interface theory indicates a spinodal point close to glass transition, while a nonsingular behavior is predicted by the density functional theory with constant Ginzburg-Landau coefficients. Remarkably, a minimum of the nucleation barrier, similar to the one seen in polydisperse systems, occurs if the known density dependence of the Ginzburg-Landau coefficients is considered.

  12. Physics of the granite sphere fountain

    NASA Astrophysics Data System (ADS)

    Snoeijer, Jacco H.; der Weele, Ko van

    2014-11-01

    A striking example of levitation is encountered in the "kugel fountain" where a granite sphere, sometimes weighing over a ton, is kept aloft by a thin film of flowing water. In this paper, we explain the working principle behind this levitation. We show that the fountain can be viewed as a giant ball bearing and thus forms a prime example of lubrication theory. It is demonstrated how the viscosity and flow rate of the fluid determine (i) the remarkably small thickness of the film supporting the sphere and (ii) the surprisingly long time it takes for rotations to damp out. The theoretical results compare well with measurements on a fountain holding a granite sphere of one meter in diameter. We close by discussing several related cases of levitation by lubrication.

  13. Impact of a superhydrophobic sphere onto water.

    PubMed

    Lee, Duck-Gyu; Kim, Ho-Young

    2008-01-01

    When a water drop hits a superhydrophobic solid surface, it bounces off the substrate like an elastic ball. Here we show that when a tiny superhydrophobic solid sphere impacts with water, it can bounce off the free surface just as it impacts with an elastic membrane. The motion of a sinking sphere is analytically calculated by solving a potential flow whose free boundary is determined by the Young-Laplace equation. To find conditions under which the solid sphere should sink, bounce off, or oscillate upon impact with water, we construct simple scaling laws which are shown to agree well with experimentally found boundaries between the distinct impact behaviors in a regime map based on dimensionless parameters. PMID:17999546

  14. Hard metal composition

    DOEpatents

    Sheinberg, Haskell

    1986-01-01

    A composition of matter having a Rockwell A hardness of at least 85 is formed from a precursor mixture comprising between 3 and 10 weight percent boron carbide and the remainder a metal mixture comprising from 70 to 90 percent tungsten or molybdenum, with the remainder of the metal mixture comprising nickel and iron or a mixture thereof. The composition has a relatively low density of between 7 to 14 g/cc. The precursor is preferably hot pressed to yield a composition having greater than 100% of theoretical density.

  15. Hard metal composition

    DOEpatents

    Sheinberg, H.

    1983-07-26

    A composition of matter having a Rockwell A hardness of at least 85 is formed from a precursor mixture comprising between 3 and 10 wt % boron carbide and the remainder a metal mixture comprising from 70 to 90% tungsten or molybdenum, with the remainder of the metal mixture comprising nickel and iron or a mixture thereof. The composition has a relatively low density of between 7 and 14 g/cc. The precursor is preferably hot pressed to yield a composition having greater than 100% of theoretical density.

  16. Mesophase formation in a system of top-shaped hard molecules: Density functional theory and Monte Carlo simulation

    NASA Astrophysics Data System (ADS)

    de las Heras, Daniel; Varga, Szabolcs; Vesely, Franz J.

    2011-06-01

    We present the phase diagram of a system of mesogenic top-shaped molecules based on the Parsons-Lee density functional theory and Monte Carlo simulation. The molecules are modeled as a hard spherocylinder with a hard sphere embedded in its center. The stability of five different phases is studied, namely, isotropic, nematic, smectic A, smectic C, and columnar phases. The positionally ordered phases are investigated only for the case of parallel alignment. It is found that the central spherical unit destabilizes the nematic with respect to the isotropic phase, while increasing the length of the cylinder has the opposite effect. Also, the central hard sphere has a strong destabilizing effect on the smectic A phase, due the inefficient packing of the molecules into layers. For large hard sphere units the smectic A phase is completely replaced by a smectic C structure. The columnar phase is first stabilized with increasing diameter of the central unit, but for very large hard sphere units it becomes less stable again. The density functional results are in good agreement with the simulations.

  17. Equation of state and critical point behavior of hard-core double-Yukawa fluids.

    PubMed

    Montes, J; Robles, M; López de Haro, M

    2016-02-28

    A theoretical study on the equation of state and the critical point behavior of hard-core double-Yukawa fluids is presented. Thermodynamic perturbation theory, restricted to first order in the inverse temperature and having the hard-sphere fluid as the reference system, is used to derive a relatively simple analytical equation of state of hard-core multi-Yukawa fluids. Using such an equation of state, the compressibility factor and phase behavior of six representative hard-core double-Yukawa fluids are examined and compared with available simulation results. The effect of varying the parameters of the hard-core double-Yukawa intermolecular potential on the location of the critical point is also analyzed using different perspectives. The relevance of this analysis for fluids whose molecules interact with realistic potentials is also pointed out. PMID:26931708

  18. Food additives

    MedlinePlus

    Food additives are substances that become part of a food product when they are added during the processing or making of that food. "Direct" food additives are often added during processing to: Add nutrients ...

  19. Stimuli-Responsive Polyoxometalate/Ionic Liquid Supramolecular Spheres: Fabrication, Characterization, and Biological Applications.

    PubMed

    Gong, Yanjun; Hu, Qiongzheng; Wang, Chen; Zang, Ling; Yu, Li

    2016-01-19

    We report fabrication, characterization, and potential applications of polyoxometalate (POM)/ionic liquid (IL) supramolecular spheres in water for the first time. These supramolecular spheres have highly ordered structures and show excellent reversible self-assembly and tunable photoluminescence properties, which can be manipulated by adjusting pH of the aqueous solution. Specifically, the formation of POM/IL supramolecular spheres results in quenching of fluorescence emitted by Eu-POM because hopping of the d1 electron in the POM molecule is blocked by hydrogen bond existing between the oxygen atom of POM and the carboxylic acid group of IL. However, the fluorescence can be completely recovered by gradually increasing pH of the aqueous solution due to the pH-induced deprotonation of the carboxylic acid group of IL, which results in disassembly of the fabricated supramolecular spheres. Applications of these stimuli-responsive photoluminescent POM-based supramolecular materials are demonstrated in biological media. Dual signaling responses of turbidity and fluorescence are observed simultaneously in the detection of urease and heavy metals based on pH-induced disassembly of the supramolecular spheres during the biochemical events in aqueous solution. In addition, guest molecules are encapsulated into the supramolecular spheres, and controlled release of these entrapped molecules is demonstrated in the presence of external stimuli. This study shows potential of stimuli-responsive POM/IL supramolecular materials in biological applications. PMID:26704346

  20. Applied research and development of falling-sphere densitometers payloads of improved design

    NASA Astrophysics Data System (ADS)

    Fryklund, D. H.

    1981-08-01

    Four complete falling-sphere densitometer systems were designed and launched, with generally satisfactory results, at three locations: New Mexico, Sweden, and Alaska. The task included the provision and launch responsibility for the nose cones and ejection systems for all densitometers and the provision and launch responsibility for two unique support units for the payloads flown in Sweden. Refinements were made to improve system accuracy in the calibration and data reduction techniques for the Z-axis channels of the sphere. The Z-axis amplifiers were modified to improve their performance. A wide-band accelerometer was designed and integrated into the sphere system to provide for a high resolution instrument to enable small-scale wind and turbulence studies of the high-altitude atmosphere. The sphere was reintegrated to provide for a more powerful transponder and a PCM-ranging system. A study was made to reassess the sphere configuration to reduce its gross weight. Design changes will reduce this weight by 1 lb. Additional volume was recovered for future expansion in the sphere instrumentation.

  1. Template-free polyoxometalate-assisted synthesis for ZnO hollow spheres

    SciTech Connect

    Li Qiuyu; Wang Enbo; Li Siheng; Wang Chunlei; Tian Chungui; Sun Guoying; Gu Jianmin; Xu Rui

    2009-05-15

    ZnO hollow spheres with diameters ranging from 400 to 600 nm and the thickness of shell approximate 80 nm were synthesized by a simple polyoxometalate-assisted solvothermal route without using any templates. The effect of polyoxometalate concentration, reaction time and temperature on the formation of the hollow spheres was investigated. The results indicated that the hollow spheres were composed of porous shells with nanoparticles and polyoxometalate play a key role in controlling morphology of ZnO. A possible growth mechanism based on polyoxometalate-assisted assembly and slow Ostwald ripening dissolution in ethanol solution is tentatively proposed. In addition, the room temperature photoluminescence spectrum showed that the ZnO hollow spheres exhibit exciting emission features with wide band covering nearly all the visible region. - Graphical abstract: ZnO hollow spheres with porous shell were synthesized by a one-step polyoxometalate-assisted solvothermal route at low temperature. Room temperature photoluminescence spectrum of the ZnO hollow spheres exhibits exciting emission features with a broad band covering nearly all the visible region.

  2. Saltwater and hard water bentonite mud

    SciTech Connect

    Pabley, A. S.

    1985-02-19

    A seawater/saltwater or hard water bentonite mud for use in drilling, and process for preparing same, comprising sequentially adding to seawater, to saltwater of a chloride concentration up to saturation, or hard water: a caustic agent; a filtration control agent; and bentonite. The resultant drilling mud meets API standards for viscosity and water loss, and is stable after aging and at tempertures in excess of 100/sup 0/ c. In another embodiment, the additives are premixed as dry ingredients and hydrated with seawater, saltwater or hard water. Unlike other bentonite drilling muds, the muds of this invention require no fresh water in their preparation, which makes them particularly useful at off-shore and remote on-shore drilling locations. The muds of this invention using bentonite further require less clay than known saltwater muds made with attapulgite, and provides superior filtration control, viscosity and stability.

  3. A green chemical approach to the synthesis of photoluminescent ZnO hollow spheres with enhanced photocatalytic properties

    SciTech Connect

    Patrinoiu, Greta; Tudose, Madalina; Calderon-Moreno, Jose Maria; Birjega, Ruxandra; Budrugeac, Petru; Ene, Ramona; Carp, Oana

    2012-02-15

    ZnO hollow spheres have been synthesized by a simple and environmentally friendly template assisted route. Starch-derived carbonaceous spheres were used as template, impregnated with Zn(CH{sub 3}COO){sub 2}{center_dot}2H{sub 2}O to obtain zinc-containing precursor spheres and thermally treatment at 600 Degree-Sign C, yielding hollow ZnO spherical shells. The precursor spheres and hollow shells were characterized by X-ray diffraction, FTIR spectroscopy, scanning electron microscopy, thermal analysis and room-temperature photoluminescence measurements. The hollow spherical shells with diameters of {approx}150 nm and wall thickness of {approx}20 nm, are polycrystalline, with a mean crystallite size of 22 nm, exhibiting interesting emission features, with a wide multi-peak band covering blue and green regions of the visible spectrum. The photocatalytic activities (under UV and visible light irradiations) of the ZnO spherical shells evaluated for the phenol degradation reaction in aqueous solutions are outstanding, a total phenol conversion being registered in the case of UV irradiation experiments. - Graphical abstract: The photocatalytic reaction initiated by the photoexcitation of the semiconductor (ZnO), leads to the formation of electron-hole, while part of the electron-hole pairs recombine, some holes combine with water to form {center_dot}OH radicals and some electrons convert oxygen to super oxide radical ({center_dot}O{sub 2}{sup -}). Highlights: Black-Right-Pointing-Pointer Green synthesis of ZnO hollow spheres. Black-Right-Pointing-Pointer Starch-derived carbonaceous spheres as spherical hard template. Black-Right-Pointing-Pointer ZnO hollow spheres with notable visible photoluminescence properties. Black-Right-Pointing-Pointer ZnO hollow spheres with photocatalytical activity in degradation/mineralization of phenol.

  4. Novel hard compositions and methods of preparation

    DOEpatents

    Sheinberg, Haskell

    1983-08-23

    Novel very hard compositions of matter are prepared by using in all embodiments only a minor amount of a particular carbide (or materials which can form the carbide in situ when subjected to heat and pressure); and no strategic cobalt is needed. Under a particular range of conditions, densified compositions of matter of the invention are prepared having hardnesses on the Rockwell A test substantially equal to the hardness of pure tungsten carbide and to two of the hardest commercial cobalt-bonded tungsten carbides. Alternately, other compositions of the invention which have slightly lower hardnesses than those described above in one embodiment also possess the advantage of requiring no tungsten and in another embodiment possess the advantage of having a good fracture toughness value. Photomicrographs show that the shapes of the grains of the alloy mixture with which the minor amount of carbide (or carbide-formers) is mixed are radically altered from large, rounded to small, very angular by the addition of the carbide. Superiority of one of these hard compositions of matter over cobalt-bonded tungsten carbide for ultra-high pressure anvil applications was demonstrated.

  5. Novel hard compositions and methods of preparation

    DOEpatents

    Sheinberg, H.

    1983-08-23

    Novel very hard compositions of matter are prepared by using in all embodiments only a minor amount of a particular carbide (or materials which can form the carbide in situ when subjected to heat and pressure); and no strategic cobalt is needed. Under a particular range of conditions, densified compositions of matter of the invention are prepared having hardnesses on the Rockwell A test substantially equal to the hardness of pure tungsten carbide and to two of the hardest commercial cobalt-bonded tungsten carbides. Alternately, other compositions of the invention which have slightly lower hardnesses than those described above in one embodiment also possess the advantage of requiring no tungsten and in another embodiment possess the advantage of having a good fracture toughness value. Photomicrographs show that the shapes of the grains of the alloy mixture with which the minor amount of carbide (or carbide-formers) is mixed are radically altered from large, rounded to small, very angular by the addition of the carbide. Superiority of one of these hard compositions of matter over cobalt-bonded tungsten carbide for ultra-high pressure anvil applications was demonstrated. 3 figs.

  6. Food additives

    PubMed Central

    Spencer, Michael

    1974-01-01

    Food additives are discussed from the food technology point of view. The reasons for their use are summarized: (1) to protect food from chemical and microbiological attack; (2) to even out seasonal supplies; (3) to improve their eating quality; (4) to improve their nutritional value. The various types of food additives are considered, e.g. colours, flavours, emulsifiers, bread and flour additives, preservatives, and nutritional additives. The paper concludes with consideration of those circumstances in which the use of additives is (a) justified and (b) unjustified. PMID:4467857

  7. Hard Metal Disease

    PubMed Central

    Bech, A. O.; Kipling, M. D.; Heather, J. C.

    1962-01-01

    In Great Britain there have been no published reports of respiratory disease occurring amongst workers in the hard metal (tungsten carbide) industry. In this paper the clinical and radiological findings in six cases and the pathological findings in one are described. In two cases physiological studies indicated mild alveolar diffusion defects. Histological examination in a fatal case revealed diffuse pulmonary interstitial fibrosis with marked peribronchial and perivascular fibrosis and bronchial epithelial hyperplasia and metaplasia. Radiological surveys revealed the sporadic occurrence and low incidence of the disease. The alterations in respiratory mechanics which occurred in two workers following a day's exposure to dust are described. Airborne dust concentrations are given. The industrial process is outlined and the literature is reviewed. The toxicity of the metals is discussed, and our findings are compared with those reported from Europe and the United States. We are of the opinion that the changes which we would describe as hard metal disease are caused by the inhalation of dust at work and that the component responsible may be cobalt. Images PMID:13970036

  8. Spins, phonons, and hardness

    SciTech Connect

    Gilman, J.J.

    1996-12-31

    In crystals (and/or glasses) with localized sp{sup 3} or spd-bonding orbitals, dislocations have very low mobilities, making the crystals very hard. Classical Peierls-Nabarro theory does not account for the low mobility. The breaking of spin-pair bonds which creates internal free-radicals must be considered. Therefore, a theory based on quantum mechanics has been proposed (Science, 261, 1436 (1993)). It has been applied successfully to diamond, Si, Ge, SiC, and with a modification to TiC and WC. It has recently been extended to account for the temperature independence of the hardness of silicon at low temperatures together with strong softening at temperatures above the Debye temperature. It is quantitatively consistent with the behaviors of the Group 4 elements (C, Si, Ge, Sn) when their Debye temperatures are used as normalizing factors; and appears to be consistent with data for TiC if an Einstein temperature for carbon is used. Since the Debye temperature marks the approximate point at which phonons of atomic wavelengths become excited (as contrasted with collective acoustic waves), this confirms the idea that the process which limits dislocation mobility is localized to atomic dimensions (sharp kinks).

  9. Evaluated Iridium, Yttrium, and Thulium Cross Sections and Integral Validation Against Critical Assembly and Bethe Sphere Measurements

    SciTech Connect

    Chadwick, M.B. Frankle, S.; Trellue, H.; Talou, P.; Kawano, T.; Young, P.G.; MacFarlane, R.E.; Wilkerson, C.W.

    2007-12-15

    We describe new dosimetry (radiochemical) ENDF evaluations for yttrium, iridium, and thulium. These LANL2006 evaluations were based upon measured data and on nuclear model cross section calculations. In the case of iridium and yttrium, new measurements using the GEANIE gamma-ray detector at LANSCE were used to infer (n,xn) cross sections, the measurements being augmented by nuclear model calculations using the GNASH code. The thulium isotope evaluations were based on GNASH calculations and older measurements. The evaluated cross section data are tested through comparisons of simulations with measurements of reaction rates in critical assemblies and in Bethe sphere (sometimes called Wyman sphere) integral experiments. Two types of Bethe sphere experiments were studied - a LiD experiment that had a significant component of 14 MeV neutrons, and a LiD-U experiment that additionally had varying amounts of fission neutrons depending upon the location. These simulations were performed with the MCNP code using continuous energy Monte Carlo, and because the neutron fluences can be modeled fairly accurately by MCNP at different locations in these assemblies, the comparisons provide a valuable validation test of the accuracy of the evaluated cross sections and their energy dependencies. The MCNP integral reaction rate validation testing for the three detectors yttrium, iridium, and thulium, in the LANL2006 database is summarized as follows: (1) (n,2n)near 14 MeV: In 14 MeV-dominated locations (the LiD Bethe spheres and the outer regions of the LiD-U Bethe spheres), the (n,2n) products are modeled very well for all three detectors, suggesting that the evaluated {sup 89}Y(n,2n), {sup 191}Ir(n,2n), and {sup 169}Tm(n,2n) cross sections are accurate to better than about 5% near 14 MeV; (2) (n,2n)near threshold: In locations that have a significant number of fission spectrum neutrons or downscattered neutrons from 14 MeV inelastic scattering (the central regions of the Li

  10. Polarization effects on hard target calibration of lidar systems.

    PubMed

    Kavaya, M J

    1987-03-01

    The theory of hard target calibration of lidar backscatter data, including laboratory measurements of the pertinent target reflectance parameters, is extended to include the effects of polarization of the transmitted and received laser radiation. The bidirectional reflectance-distribution function model of reflectance is expanded to a 4 x 4 matrix allowing Mueller matrix and Stokes vector calculus to be employed. Target reflectance parameters for calibration of lidar backscatter data are derived for various lidar system polarization configurations from integrating sphere and monostatic reflectometer measurements. It is found that correct modeling of polarization effects is mandatory for accurate calibration of hard target reflectance parameters and, therefore, for accurate calibration of lidar backscatter data. PMID:20454226

  11. Electromagnetic resonant modes of dielectric sphere bilayers

    SciTech Connect

    Andueza, A. Pérez-Conde, J.; Sevilla, J.

    2015-05-28

    Sphere bilayers have been proposed as promising structures for electromagnetic management in photonic crystal devices. These arrangements are made of two intertwined subsets of spheres of different size and refractive index, one subset filling the interstitial sites of the other. We present a systematic study of the electromagnetic resonant modes of the bilayers, in comparison with those of the constituent subsets of spheres. Three samples were built with glass and Teflon spheres and their transmission spectra measured in the microwave range (10–25 GHz). Simulations with finite integration time-domain method are in good agreement with experiments. Results show that the bilayer presents the same resonances as one of the subsets but modified by the presence of the other in its resonant frequencies and in the electric field distributions. As this distortion is not very large, the number of resonances in a selected spectral region is determined by the dominant subset. The degree of freedom that offers the bilayer could be useful to fine tune the resonances of the structure for different applications. A map of modes useful to guide this design is also presented. Scale invariance of Maxwell equations allows the translation of these results in the microwave range to the visible region; hence, some possible applications are discussed in this framework.

  12. DNS of Swirling Flow Past a Sphere

    NASA Astrophysics Data System (ADS)

    Higgins, Keith; Ooi, Andrew; Chong, Min; Balachandar, S.

    2001-11-01

    Experimental investigations into the swirling flow past a sphere have revealed a range of surprising and complex flow phenomena. These results have advanced our understanding in applications such as particle entrainment and the combustion of fuel droplets. Renewed interest in this problem has been kindled by recent experimental observations. (Mattner et al. 2001, submitted for review to J. Fluid Mech.) This has motivated the development of a fully spectral direct numerical simulation of the three-dimensional time-dependent swirling flow past a sphere. The effect of swirl on the various transitions in the wake structure behind a sphere is unknown. The main objective of our study is to identify transitions that occur with increasing Reynolds number and swirl strength. Firstly, we show the effect of swirl strength on the axisymmetric sphere wake and drag. Then, using a three-dimensional simulation, we examine the effect of swirl on the time histories of the lift, drag and velocities. We hope to show some visualisations of the topology of the 3D wake flow using the invariants of the velocity gradient tensor.

  13. 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.

  14. Exact Interior Solutions for Charged Fluid Spheres

    NASA Astrophysics Data System (ADS)

    Patel, L. K.; Tikekar, R.; Sabu, M. C.

    1997-04-01

    A new method is discussed to obtain the interior solution of Einstein-Maxwell equations for a charged static sphere from a known particular solutions of a similar kind. Beginning with a charged fluid interior solution reported by Patel and Pandya [11], a new interior Reissner-Nordström metric is obtained using this method and physical aspects of it are extensively discussed.

  15. Conforming quadrilaterals meshes on the cubed sphere.

    SciTech Connect

    Taylor, Mark A.; Levy, Michael Nathan; Overfelt, James Robert

    2010-08-01

    The cubed sphere geometry, obtained by inscribing a cube in a sphere and mapping points between the two surfaces using a gnomonic (central) projection, is commonly used in atmospheric models because it is free of polar singularities and is well-suited for parallel computing. Global meshes on the cubed-sphere typically project uniform (square) grids from each face of the cube onto the sphere, and if refinement is desired then it is done with non-conforming meshes - overlaying the area of interest with a finer uniform mesh, which introduces so-called hanging nodes on edges along the boundary of the fine resolution area. An alternate technique is to tile each face of the cube with quadrilaterals without requiring the quads to be rectangular. These meshes allow for refinement in areas of interest with a conforming mesh, providing a smoother transition between high and low resolution portions of the grid than non-conforming refinement. The conforming meshes are demonstrated in HOMME, NCAR's High Order Method Modeling Environment, where two modifications have been made: the dependence on uniform meshes has been removed, and the ability to read arbitrary quadrilateral meshes from a previously-generated file has been added. Numerical results come from a conservative spectral element method modeling a selection of the standard shallow water test cases.

  16. 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.

  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. Electromagnetic resonant modes of dielectric sphere bilayers

    NASA Astrophysics Data System (ADS)

    Andueza, A.; Pérez-Conde, J.; Sevilla, J.

    2015-05-01

    Sphere bilayers have been proposed as promising structures for electromagnetic management in photonic crystal devices. These arrangements are made of two intertwined subsets of spheres of different size and refractive index, one subset filling the interstitial sites of the other. We present a systematic study of the electromagnetic resonant modes of the bilayers, in comparison with those of the constituent subsets of spheres. Three samples were built with glass and Teflon spheres and their transmission spectra measured in the microwave range (10-25 GHz). Simulations with finite integration time-domain method are in good agreement with experiments. Results show that the bilayer presents the same resonances as one of the subsets but modified by the presence of the other in its resonant frequencies and in the electric field distributions. As this distortion is not very large, the number of resonances in a selected spectral region is determined by the dominant subset. The degree of freedom that offers the bilayer could be useful to fine tune the resonances of the structure for different applications. A map of modes useful to guide this design is also presented. Scale invariance of Maxwell equations allows the translation of these results in the microwave range to the visible region; hence, some possible applications are discussed in this framework.

  19. 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.

  20. 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.

  1. 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.…

  2. 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)

  3. 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.

  4. Propulsion of a Two-Sphere Swimmer.

    PubMed

    Klotsa, Daphne; Baldwin, Kyle A; Hill, Richard J A; Bowley, R M; Swift, Michael R

    2015-12-11

    We describe experiments and simulations demonstrating the propulsion of a neutrally buoyant swimmer 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. PMID:26705658

  5. Hot Electron and X-ray Production from Intense Laser Irradiation of Wavelength-scale Polystyrene Spheres

    NASA Astrophysics Data System (ADS)

    Ditmire, T.; Sumeruk, H. A.; Kneip, S.; Symes, D. R.; Churina, I. V.; Belolipetski, A. V.; Dyer, G.; Bernstein, A.; Donnelly, T. D.

    2008-04-01

    In an attempt to control the electric fields at the surface of a high intensity solid target we have studied hot electron generation and x-ray production from targets coated with microspheres. This work is motivated by the possibility that spheres with size comparable to the wavelength of the incident laser radiation can result in electric field enhancements through well know Mie resonances. This local field enhancement can then lead to more efficient electron generation. We investigated hard x-ray (above 100 keV) generation from copper and fused silica targets coated with a monolayer covering of polystyrene microspheres. We performed the experiment using the 20 TW THOR laser system at the University of Texas. We frequency doubled the laser to improve temporal contrast and irradiated the spheres with 400 nm pulses at an intensity of 2 x 1017 W/cm2. Hard X-ray emission from the plasma was observed using filtered NaI scintillation detectors and K-alpha emission was measured with a Von Hamos spectrometer. We illuminated polystyrene spheres of diameters 0.1 -2.9 microns on a glass substrate, with the 400 nm 100fs pulse, and find that there is a clear Mie enhancement in the field and hot electron generation for a specific range of sphere sizes.

  6. Hard-on-hard lubrication in the artificial hip under dynamic loading conditions.

    PubMed

    Sonntag, Robert; Reinders, Jörn; Rieger, Johannes S; Heitzmann, Daniel W W; Kretzer, J Philippe

    2013-01-01

    The tribological performance of an artificial hip joint has a particularly strong influence on its success. The principle causes for failure are adverse short- and long-term reactions to wear debris and high frictional torque in the case of poor lubrication that may cause loosening of the implant. Therefore, using experimental and theoretical approaches models have been developed to evaluate lubrication under standardized conditions. A steady-state numerical model has been extended with dynamic experimental data for hard-on-hard bearings used in total hip replacements to verify the tribological relevance of the ISO 14242-1 gait cycle in comparison to experimental data from the Orthoload database and instrumented gait analysis for three additional loading conditions: normal walking, climbing stairs and descending stairs. Ceramic-on-ceramic bearing partners show superior lubrication potential compared to hard-on-hard bearings that work with at least one articulating metal component. Lubrication regimes during the investigated activities are shown to strongly depend on the kinematics and loading conditions. The outcome from the ISO gait is not fully confirmed by the normal walking data and more challenging conditions show evidence of inferior lubrication. These findings may help to explain the differences between the in vitro predictions using the ISO gait cycle and the clinical outcome of some hard-on-hard bearings, e.g., using metal-on-metal. PMID:23940772

  7. 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.

  8. Nematic-isotropic phase transition in diblock fused-sphere chain fluids

    NASA Astrophysics Data System (ADS)

    Diplock, R.; Sullivan, D. E.; Jaffer, K. M.; Opps, S. B.

    2004-06-01

    A density-functional theory for the isotropic-nematic phase transition in fluids of rigid or semiflexible fused hard-sphere chains, developed previously by the authors, is extended to diblock chains each consisting of both a rigid and a flexible part. The theory is compared with recent Monte Carlo simulation results of McBride et al. The theoretical results for the variation of pressure and nematic order parameter with density agree well with the simulation data over density ranges where the simulations find isotropic and nematic phases.

  9. Bending and Gaussian rigidities of confined soft spheres from second-order virial series.

    PubMed

    Urrutia, Ignacio

    2016-08-01

    We use virial series to study the equilibrium properties of confined soft-spheres fluids interacting through the inverse-power potentials. The confinement is induced by hard walls with planar, spherical, and cylindrical shapes. We evaluate analytically the coefficients of order two in density of the wall-fluid surface tension γ and analyze the curvature contributions to the free energy. Emphasis is in bending and Gaussian rigidities, which are found analytically at order two in density. Their contribution to γ(R) and the accuracy of different truncation procedures to the low curvature expansion are discussed. Finally, several universal relations that apply to low-density fluids are analyzed. PMID:27627288

  10. 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.

  11. 21 CFR 886.3320 - Eye sphere implant.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 8 2014-04-01 2014-04-01 false Eye sphere implant. 886.3320 Section 886.3320 Food... DEVICES OPHTHALMIC DEVICES Prosthetic Devices § 886.3320 Eye sphere implant. (a) Identification. An eye sphere implant is a device intended to be implanted in the eyeball to occupy space following the...

  12. 21 CFR 886.3320 - Eye sphere implant.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 8 2013-04-01 2013-04-01 false Eye sphere implant. 886.3320 Section 886.3320 Food... DEVICES OPHTHALMIC DEVICES Prosthetic Devices § 886.3320 Eye sphere implant. (a) Identification. An eye sphere implant is a device intended to be implanted in the eyeball to occupy space following the...

  13. 21 CFR 886.3320 - Eye sphere implant.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 8 2012-04-01 2012-04-01 false Eye sphere implant. 886.3320 Section 886.3320 Food... DEVICES OPHTHALMIC DEVICES Prosthetic Devices § 886.3320 Eye sphere implant. (a) Identification. An eye sphere implant is a device intended to be implanted in the eyeball to occupy space following the...

  14. Food additives.

    PubMed

    Berglund, F

    1978-01-01

    The use of additives to food fulfils many purposes, as shown by the index issued by the Codex Committee on Food Additives: Acids, bases and salts; Preservatives, Antioxidants and antioxidant synergists; Anticaking agents; Colours; Emulfifiers; Thickening agents; Flour-treatment agents; Extraction solvents; Carrier solvents; Flavours (synthetic); Flavour enhancers; Non-nutritive sweeteners; Processing aids; Enzyme preparations. Many additives occur naturally in foods, but this does not exclude toxicity at higher levels. Some food additives are nutrients, or even essential nutritents, e.g. NaCl. Examples are known of food additives causing toxicity in man even when used according to regulations, e.g. cobalt in beer. In other instances, poisoning has been due to carry-over, e.g. by nitrate in cheese whey - when used for artificial feed for infants. Poisonings also occur as the result of the permitted substance being added at too high levels, by accident or carelessness, e.g. nitrite in fish. Finally, there are examples of hypersensitivity to food additives, e.g. to tartrazine and other food colours. The toxicological evaluation, based on animal feeding studies, may be complicated by impurities, e.g. orthotoluene-sulfonamide in saccharin; by transformation or disappearance of the additive in food processing in storage, e.g. bisulfite in raisins; by reaction products with food constituents, e.g. formation of ethylurethane from diethyl pyrocarbonate; by metabolic transformation products, e.g. formation in the gut of cyclohexylamine from cyclamate. Metabolic end products may differ in experimental animals and in man: guanylic acid and inosinic acid are metabolized to allantoin in the rat but to uric acid in man. The magnitude of the safety margin in man of the Acceptable Daily Intake (ADI) is not identical to the "safety factor" used when calculating the ADI. The symptoms of Chinese Restaurant Syndrome, although not hazardous, furthermore illustrate that the whole ADI

  15. Anionic surfactants templating route for synthesizing silica hollow spheres with different shell porosity

    NASA Astrophysics Data System (ADS)

    Han, Lu; Gao, Chuanbo; Wu, Xiaowei; Chen, Qianru; Shu, Peng; Ding, Zhiguang; Che, Shunai

    2011-04-01

    Silica hollow spheres with different shell porosity were simply synthesized with micelle and emulsion dual templating route. Various anionic surfactants, such as palmitic acid (C 16AA), N-acyl- L-phenylalanine (C 18Phe), N-palmitoyl- L-alanine (C 16AlaA) and oleic acid (OA) have been used as templates, and 3-aminopropyl-triethoxysilane (APES) and tetraethyl orthosilicate (TEOS) have been used as co-structure directing agent (CSDA) and silica source, respectively. The circle lamellar layer structure and mesopores vertical to the silica hollow spheres surface are believed to originate from the initial formation of amphiphilic carboxylic acid oil drop, which afterwards self-assemble to form the shell of hollow spheres and its mesostructure upon addition of CSDA and silica source. The mesoporous silica hollow spheres with high porosity could be achieved by adding a moderate amount of ethanol in the OA synthesis system, depending on the co-surfactant effect of ethanol that changes the curvature of micelles. The particle diameter and the hollow structure have been controlled by choosing different templates and by manipulating synthesis gel composition. The average particle diameter of the mesoporous silica hollow spheres were controlled in the range of 80-220 nm with constant shell thickness of ˜20 nm and constant mesopore size of ˜4 nm. Besides, the formation of the silica hollow spheres has been investigated in detail with reaction time. These mesoporous silica hollow spheres would have potential applications on catalysis, bimolecular encapsulation, adsorption, drug release, etc.

  16. Bidirectional reflection effects in practical integrating spheres.

    PubMed

    Mahan, J R; Walker, J A; Stancil, M M

    2015-10-20

    Integrating spheres play a central role in radiometric instrument calibration, surface optical property measurement, and radiant source characterization. Our work involves a simulation, based on the Monte Carlo ray-trace (MCRT) of bidirectional reflections within a practical integrating sphere pierced with two viewing ports. We used data from the literature to create an empirical model for the bidirectional reflection distribution function (BRF) of Spectralon suitable for use in the MCRT environment. The ratio of power escaping through the two openings is shown to vary linearly with wall absorptivity for both diffuse and bidirectional reflections. The sensitivity of this ratio to absorptivity is shown to be less when reflections are weakly bidirectional. PMID:26560384

  17. 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.

  18. From Noncommutative Sphere to Nonrelativistic Spin

    NASA Astrophysics Data System (ADS)

    Deriglazov, Alexei A.

    2010-02-01

    Reparametrization invariant dynamics on a sphere, being parameterized by angular momentum coordinates, represents an example of noncommutative theory. It can be quantized according to Berezin-Marinov prescription, replacing the coordinates by Pauli matrices. Following the scheme, we present two semiclassical models for description of spin without use of Grassman variables. The first model implies Pauli equation upon the canonical quantization. The second model produces nonrelativistic limit of the Dirac equation implying correct value for the electron spin magnetic moment.

  19. Equilibrium configurations of degenerate fluid spheres

    SciTech Connect

    Whitman, P.G.

    1985-04-01

    Equilibrium configurations of degenerate fluid spheres which assume a polytropic form in the ultrahigh-density regime are considered. We show that analytic solutions more general than those of Misner and Zapolsky exist which possess the asymptotic equation of state. Simple expressions are derived which indicate this nature of the fluids in the extreme relativistic limit, and the stability of these interiors is considered in the asymptotic region.

  20. 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.

  1. Broadband Electromagnetic Transparency by Graded Metamaterial Sphere

    NASA Astrophysics Data System (ADS)

    Sun, L.; Yu, K. W.

    2010-03-01

    We have investigated the scattering of electromagnetic waves from a radially inhomogeneous metamaterial sphere whose dielectric permittivity is described by the graded Drude model ɛs(r)=1-φp^2(r)/2̂. The radial position dependent plasma frequency depends on r as φp^2=1/2-c(r/r0)^n, where c and n are positive constants and r0 is the radius of the sphere. The electromagnetic field distribution has been calculated within the full-wave Mie scattering theory. When n=2, exact analytic solutions can be obtained in terms of confluent Heun function and confluent hypergeometric function of Kummer. This allows us to obtain the full-wave total scattering cross section analytically from the scattering field amplitudes. While the total scattering cross section Qs depends on both the graded plasma frequency profile and the frequency of the incident electromagnetic wave, it is found that Qs can achieve extremely small values over a broad frequency band and graded parameters. The analytic solutions allow us to assess the conditions for achieving broadband electromagnetic transparency in the metamaterial sphere and make tunable electromagnetic transparency feasible.

  2. 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.

  3. Rainbow scattering by a coated sphere.

    PubMed

    Lock, J A; Jamison, J M; Lin, C Y

    1994-07-20

    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 a(12) and the thickness of the coating δ are varied. As the ratio δ/a(12) increases from 10(-4) to 0.33, we find three classes of rainbow phenomena that cannot occur for a homogeneous-sphere rainbow. For δ/a(12) ≲ 10(-3), the rainbow intensity is an oscillatory function of the coating thickness, for δ/a(12) ≈ 10(-2), the first-order rainbow breaks into a pair of twin rainbows, and for δ/a(12) ≈ 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. PMID:20935838

  4. Measuring the Hardness of Minerals

    ERIC Educational Resources Information Center

    Bushby, Jessica

    2005-01-01

    The author discusses Moh's hardness scale, a comparative scale for minerals, whereby the softest mineral (talc) is placed at 1 and the hardest mineral (diamond) is placed at 10, with all other minerals ordered in between, according to their hardness. Development history of the scale is outlined, as well as a description of how the scale is used…

  5. Captures of Rhagoletis indifferens (Diptera:Tephritidae) and non-target insects on red spheres versus yellow spheres and panels

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Sticky red spheres can be used to capture western cherry fruit fly, Rhagoletis indifferens Curran (Diptera: Tephritidae), but whether they capture more flies than yellow spheres and panels is poorly known. The objective of this study was to compare fly captures on red spheres versus yellow traps so...

  6. Absolute determination of photoluminescence quantum efficiency using an integrating sphere setup

    SciTech Connect

    Leyre, S.; Coutino-Gonzalez, E.; Hofkens, J.; Joos, J. J.; Poelman, D.; Smet, P. F.; Ryckaert, J.; Meuret, Y.; Durinck, G.; Hanselaer, P.

    2014-12-15

    An integrating sphere-based setup to obtain a quick and reliable determination of the internal quantum efficiency of strongly scattering luminescent materials is presented. In literature, two distinct but similar measurement procedures are frequently mentioned: a “two measurement” and a “three measurement” approach. Both methods are evaluated by applying the rigorous integrating sphere theory. It was found that both measurement procedures are valid. Additionally, the two methods are compared with respect to the uncertainty budget of the obtained values of the quantum efficiency. An inter-laboratory validation using the two distinct procedures was performed. The conclusions from the theoretical study were confirmed by the experimental data.

  7. Cyclic strength of hard metals

    SciTech Connect

    Sereda, N.N.; Gerikhanov, A.K.; Koval'chenko, M.S.; Pedanov, L.G.; Tsyban', V.A.

    1986-02-01

    The authors study the strength of hard-metal specimens and structural elements under conditions of cyclic loading since many elements of processing plants, equipment, and machines are made of hard metals. Fatigue tests were conducted on KTS-1N, KTSL-1, and KTNKh-70 materials, which are titanium carbide hard metals cemented with nickel-molybdenum, nickelcobalt-chromium, and nickel-chromium alloys, respectively. As a basis of comparison, the standard VK-15 (WC+15% Co) alloy was used. Some key physicomechanical characteristics of the materials investigated are presented. On time bases not exceeding 10/sup 6/ cycles, titanium carbide hard metals are comparable in fatigue resistance to the standard tungstencontaining hard metals.

  8. Evaporative coating of a sphere from a point source

    NASA Technical Reports Server (NTRS)

    Strayer, D. M.; Jackson, H. W.; Gatewood, J. R.

    1984-01-01

    To optimize the procedure for evaporating a metal film onto a sphere, calculations of the film thickness distribution for various motions of the sphere have been carried out. These calculations, including shadowing effects of sphere support rods, are presented in this paper. Also, an apparatus and procedure for the evaporative coating of a sphere are described. A comparison of measured thickness with the calculated values is made for one example of sphere motion. The implications of the calculated results for coating techniques are discussed.

  9. Experimental study of the oscillation of spheres in an acoustic levitator.

    PubMed

    Andrade, Marco A B; Pérez, Nicolás; Adamowski, Julio C

    2014-10-01

    The spontaneous oscillation of solid spheres in a single-axis acoustic levitator is experimentally investigated by using a high speed camera to record the position of the levitated sphere as a function of time. The oscillations in the axial and radial directions are systematically studied by changing the sphere density and the acoustic pressure amplitude. In order to interpret the experimental results, a simple model based on a spring-mass system is applied in the analysis of the sphere oscillatory behavior. This model requires the knowledge of the acoustic pressure distribution, which was obtained numerically by using a linear finite element method (FEM). Additionally, the linear acoustic pressure distribution obtained by FEM was compared with that measured with a laser Doppler vibrometer. The comparison between numerical and experimental pressure distributions shows good agreement for low values of pressure amplitude. When the pressure amplitude is increased, the acoustic pressure distribution becomes nonlinear, producing harmonics of the fundamental frequency. The experimental results of the spheres oscillations for low pressure amplitudes are consistent with the results predicted by the simple model based on a spring-mass system. PMID:25324056

  10. Floatable, macroporous structured alginate sphere supporting iron nanoparticles used for emergent Cr(VI) spill treatment.

    PubMed

    Huang, Jian-Fei; Li, Yong-Tao; Wu, Jin-Hua; Cao, Piao-Yang; Liu, Yong-Lin; Jiang, Gang-Biao

    2016-08-01

    Treatment of hexavalent chromium (Cr(VI)) spill accident is a great challenge due to its high toxicity, sudden and extensiveness. In this study, we designed and fabricated a hierarchical, ordered and macroporous structured alginate sphere to support in-situ synthesized zero-valent iron nanoparticle (the alginate-nZVI sphere). Field emission scanning electron microscope (FESEM) and energy-dispersive X-ray spectroscopy (EDS) images showed well dispersion of nZVI on the composite. This alginate-nZVI sphere exhibited good separability in effective removal of Cr(VI). The result from Cr(VI) removal experiment demonstrated a Cr(VI) removal efficiency of 98.2% at equilibrium time, which can be ascribed to the well dispersion of the nZVI. In addition, the alginate-nZVI sphere was effective in Cr(VI) removal in a wide range of pH from 3.0 to 11.0, by the merit of alginate substrate. Hence, the alginate-nZVI sphere might be a promising agent for an emergent Cr(VI) spill treatment by enhancing the dispersion, stabilization and separation properties of nZVI. PMID:27112857

  11. A fully spectral methodology for magnetohydrodynamic calculations in a whole sphere

    NASA Astrophysics Data System (ADS)

    Marti, P.; Jackson, A.

    2016-01-01

    We present a fully spectral methodology for magnetohydrodynamic (MHD) calculations in a whole sphere. The use of Jones-Worland polynomials for the radial expansion guarantees that the physical variables remain infinitely differentiable throughout the spherical volume. Furthermore, we present a mathematically motivated and systematic strategy to relax the very stringent time step constraint that is present close to the origin when a spherical harmonic expansion is used for the angular direction. The new constraint allows for significant savings even on relatively simple solutions as demonstrated on the so-called full sphere benchmark, a specific problem with a very accurately-known solution. The numerical implementation uses a 2D data decomposition which allows it to scale to thousands of cores on present-day high performance computing systems. In addition to validation results, we also present three new whole sphere dynamo solutions that present a relatively simple structure.

  12. Mesoporous TiO2 spheres with a nitridated conducting layer

    SciTech Connect

    Yoon, Sukeun; Bridges, Craig A; Unocic, Raymond R; Paranthaman, Mariappan Parans

    2013-01-01

    Nitridated TiO2 mesoporous spheres have been synthesized by hydrothermal processing followed by post-nitridation with NH3. Characterization data reveal a nitridated conducting layer, in addition to a mesoporous, and nanosized building-block morphology resulting in a large surface area. The samples have an average pore size and surface area of, respectively, 10 nm and 87 m2/g. The nitridated TiO2 mesoporous spheres exhibit a high capacity of > 200 mAh/g with good cyclability and high rate capability, as the nitridated conducting layer and favorable morphology of nanosized spheres provides good electrical contact, accommodates cycling induced strain smoothly, and facilitates lithium-ion diffusion.

  13. A Multiple Sphere T-Matrix Fortran Code for Use on Parallel Computer Clusters

    NASA Technical Reports Server (NTRS)

    Mackowski, D. W.; Mishchenko, M. I.

    2011-01-01

    A general-purpose Fortran-90 code for calculation of the electromagnetic scattering and absorption properties of multiple sphere clusters is described. The code can calculate the efficiency factors and scattering matrix elements of the cluster for either fixed or random orientation with respect to the incident beam and for plane wave or localized- approximation Gaussian incident fields. In addition, the code can calculate maps of the electric field both interior and exterior to the spheres.The code is written with message passing interface instructions to enable the use on distributed memory compute clusters, and for such platforms the code can make feasible the calculation of absorption, scattering, and general EM characteristics of systems containing several thousand spheres.

  14. MISTIC: Radiation hard ECRIS

    NASA Astrophysics Data System (ADS)

    Labrecque, F.; Lecesne, N.; Bricault, P.

    2008-10-01

    The ISAC RIB facility at TRIUMF utilizes up to 100 μA from the 500 MeV H- cyclotron to produce RIB using the isotopic separation on line (ISOL) method. In the moment, we are mainly using a hot surface ion source and a laser ion source to produce our RIB. A FEBIAD ion source has been recently tested at ISAC, but these ion sources are not suitable for gaseous elements like N, O, F, Ne, … , A new type of ion source is then necessary. By combining a high frequency electromagnetic wave and a magnetic confinement, the ECRIS [R. Geller, Electron Cyclotron Resonance Ion Source and ECR Plasmas, Institute of Physics Publishing, Bristol, 1996], [1] (electron cyclotron resonance ion source) can produce high energy electrons essential for efficient ionization of those elements. To this end, a prototype ECRIS called MISTIC (monocharged ion source for TRIUMF and ISAC complex) has been built at TRIUMF using a design similar to the one developed at GANIL [GANIL (Grand Accélérateur National d'Ions Lourds), www.ganil.fr], [2] The high level radiation caused by the proximity to the target prevented us to use a conventional ECRIS. To achieve a radiation hard ion source, we used coils instead of permanent magnets to produce the magnetic confinement. Each coil is supplied by 1000 A-15 V power supply. The RF generator cover a frequency range from 2 to 8 GHz giving us all the versatility we need to characterize the ionization of the following elements: He, Ne, Ar, Kr, Xe, C, O, N, F. Isotopes of these elements are involved in star thermonuclear cycles and, consequently, very important for researches in nuclear astrophysics. Measures of efficiency, emittance and ionization time will be performed for each of those elements. Preliminary tests show that MISTIC is very stable over a large range of frequency, magnetic field and pressure.

  15. 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. PMID:26366489

  16. Potlining Additives

    SciTech Connect

    Rudolf Keller

    2004-08-10

    In this project, a concept to improve the performance of aluminum production cells by introducing potlining additives was examined and tested. Boron oxide was added to cathode blocks, and titanium was dissolved in the metal pool; this resulted in the formation of titanium diboride and caused the molten aluminum to wet the carbonaceous cathode surface. Such wetting reportedly leads to operational improvements and extended cell life. In addition, boron oxide suppresses cyanide formation. This final report presents and discusses the results of this project. Substantial economic benefits for the practical implementation of the technology are projected, especially for modern cells with graphitized blocks. For example, with an energy savings of about 5% and an increase in pot life from 1500 to 2500 days, a cost savings of $ 0.023 per pound of aluminum produced is projected for a 200 kA pot.

  17. Phosphazene additives

    SciTech Connect

    Harrup, Mason K; Rollins, Harry W

    2013-11-26

    An additive comprising a phosphazene compound that has at least two reactive functional groups and at least one capping functional group bonded to phosphorus atoms of the phosphazene compound. One of the at least two reactive functional groups is configured to react with cellulose and the other of the at least two reactive functional groups is configured to react with a resin, such as an amine resin of a polycarboxylic acid resin. The at least one capping functional group is selected from the group consisting of a short chain ether group, an alkoxy group, or an aryloxy group. Also disclosed are an additive-resin admixture, a method of treating a wood product, and a wood product.

  18. Laser confocal radius measurement method for unpolished spheres.

    PubMed

    Wang, Xu; Zhao, Weiqian; Qiu, Lirong; Yang, Shuai; Wang, Zhongyu

    2016-06-10

    A laser confocal radius measurement method for unpolished spheres (CRMUS) is proposed for measuring the radius of an unpolished sphere during optical sphere processing. CRMUS uses the laser confocal focusing technique to accurately identify the cat's eye and confocal positions of the unpolished sphere, and then uses the distance between the cat's eye and confocal positions measured by a distance measurement interferometer to derive the radius. The partially coherent optical theoretical model of the CRMUS derived indicates that the CRMUS is able to measure the radius of the unpolished sphere with a roughness of less than 0.15 μm. Using an unpolished sphere made of Schott BK7 as the test sphere, experimental results indicate that the CRMUS has a relative expanded uncertainty of less than 20 ppm. The CRMUS could greatly increase processing efficiency. PMID:27409012

  19. Fabrication and calibration of sensitively photoelastic biocompatible gelatin spheres

    NASA Astrophysics Data System (ADS)

    Fu, Henry; Ceniceros, Ericson; McCormick, Zephyr

    2013-11-01

    Photoelastic gelatin can be used to measure forces generated by organisms in complex environments. We describe manufacturing, storage, and calibration techniques for sensitive photoelastic gelatin spheres to be used in aqueous environments. Calibration yields a correlation between photoelastic signal and applied force to be used in future studies. Images for calibration were collected with a digital camera attached to a linear polariscope. The images were then processed in Matlab to determine the photoelastic response of each sphere. The effect of composition, gelatin concentration, glycerol concentration, sphere size, and temperature were all examined for their effect on signal response. The minimum detectable force and the repeatability of our calibration technique were evaluated for the same sphere, different spheres from the same fabrication batch, and spheres from different batches. The minimum force detectable is 10 μN or less depending on sphere size. Factors which significantly contribute to errors in the calibration were explored in detail and minimized.

  20. Hard quasispherical particle models for the viscosity of solutions of protein mixtures.

    PubMed

    Minton, Allen P

    2012-08-01

    Recently reported measurements of the viscosity of three monoclonal antibodies, their binary mixtures, and a binary mixture of an antibody and albumin over a broad range of compositions (Galush et al., J. Pharm. Sci. 2011,101, 1012) were quantitatively accounted for to within experimental uncertainty by an extension of the hard quasispherical particle model suggested by Ross and Minton (Biochem. Biophys. Res. Commun. 1977, 76, 971) and by a generalization of the hard sphere equation of Krieger and Dougherty (Trans. Soc. Rheol. 1959, 3, 137) . Further generalization of these equations to treat the concentration-dependent viscosity of self-associating proteins is suggested. PMID:22780089